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/22-Agno-O-0947bea8/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/22-Agno-O-0947bea8/inputs/seq.fa: 1
curr_seq: _GCUGUUCGAACUCACUUCAACCAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCUGUUCGAACUCACUUCAACCAU
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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/22-Agno-O-0947bea8/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/22-Agno-O-0947bea8/inputs/seq.fa: 1
curr_seq: _GCUGUUCGAACUCACUUCAACCAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCUGUUCGAACUCACUUCAACCAU
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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/22-Agno-O-0947bea8/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/22-Agno-O-0947bea8/inputs/seq.fa: 1
curr_seq: _GCUGUUCGAACUCACUUCAACCAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCUGUUCGAACUCACUUCAACCAU
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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/22-Agno-O-0947bea8/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/22-Agno-O-0947bea8/inputs/seq.fa: 1
curr_seq: _GCUGUUCGAACUCACUUCAACCAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCUGUUCGAACUCACUUCAACCAU
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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/22-Agno-O-0947bea8/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/22-Agno-O-0947bea8/inputs/seq.fa: 1
curr_seq: _GCUGUUCGAACUCACUUCAACCAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCUGUUCGAACUCACUUCAACCAU
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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/22-Agno-O-0947bea8/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/22-Agno-O-0947bea8/inputs/seq.fa: 1
curr_seq: _GCUGUUCGAACUCACUUCAACCAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCUGUUCGAACUCACUUCAACCAU
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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/22-Agno-O-0947bea8/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/22-Agno-O-0947bea8/inputs/seq.fa: 1
curr_seq: _GCUGUUCGAACUCACUUCAACCAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCUGUUCGAACUCACUUCAACCAU
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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/22-Agno-O-0947bea8/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/22-Agno-O-0947bea8/inputs/seq.fa: 1
curr_seq: _GCUGUUCGAACUCACUUCAACCAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCUGUUCGAACUCACUUCAACCAU
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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/22-Agno-O-0947bea8/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/22-Agno-O-0947bea8/inputs/seq.fa: 1
curr_seq: _GCUGUUCGAACUCACUUCAACCAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCUGUUCGAACUCACUUCAACCAU
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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/22-Agno-O-0947bea8/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/22-Agno-O-0947bea8/inputs/seq.fa: 1
curr_seq: _GCUGUUCGAACUCACUUCAACCAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCUGUUCGAACUCACUUCAACCAU
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 24 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: 125
n_atoms_counter: 125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 24.000000 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: -88.259588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.259588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.259588 (E_RNA)
where:
Base-Base interactions energy: 1.000
where: short stacking energy: 1.000
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -5.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -88.259588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.259588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.259588 (E_RNA)
where:
Base-Base interactions energy: 1.000
where: short stacking energy: 1.000
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -5.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -88.259588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.259588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.259588 (E_RNA)
where:
Base-Base interactions energy: 1.000
where: short stacking energy: 1.000
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -5.797
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: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -88.259588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.259588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.259588 (E_RNA)
where:
Base-Base interactions energy: 1.000
where: short stacking energy: 1.000
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -5.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -88.259588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.259588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.259588 (E_RNA)
where:
Base-Base interactions energy: 1.000
where: short stacking energy: 1.000
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -5.797
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: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -88.259588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.259588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.259588 (E_RNA)
where:
Base-Base interactions energy: 1.000
where: short stacking energy: 1.000
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -5.797
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: 1
Temperature: 1.200000
Total energy: -88.259588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.259588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.259588 (E_RNA)
where:
Base-Base interactions energy: 1.000
where: short stacking energy: 1.000
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -5.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -88.259588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.259588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.259588 (E_RNA)
where:
Base-Base interactions energy: 1.000
where: short stacking energy: 1.000
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -5.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -88.259588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.259588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.259588 (E_RNA)
where:
Base-Base interactions energy: 1.000
where: short stacking energy: 1.000
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -5.797
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: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -88.259588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.259588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.259588 (E_RNA)
where:
Base-Base interactions energy: 1.000
where: short stacking energy: 1.000
Base-Backbone interact. energy: -0.000
local terms energy: -89.259556
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -5.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -140.270561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.270561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.270561 (E_RNA)
where:
Base-Base interactions energy: -58.238
where: short stacking energy: -58.238
Base-Backbone interact. energy: -0.007
local terms energy: -82.025422
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -18.886
flat angles C4'-P-C4' energy: -20.447
flat angles P-C4'-P energy: -12.289
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: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -140.669204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.669204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.669204 (E_RNA)
where:
Base-Base interactions energy: -69.296
where: short stacking energy: -58.811
Base-Backbone interact. energy: -0.129
local terms energy: -71.244729
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -18.083
flat angles C4'-P-C4' energy: -17.311
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -10.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -132.145289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.145289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.145289 (E_RNA)
where:
Base-Base interactions energy: -55.404
where: short stacking energy: -44.219
Base-Backbone interact. energy: -0.510
local terms energy: -76.231681
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -18.658
flat angles P-C4'-P energy: -14.241
tors. eta vs tors. theta energy: -10.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -119.808613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.808613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.808613 (E_RNA)
where:
Base-Base interactions energy: -47.566
where: short stacking energy: -45.689
Base-Backbone interact. energy: -0.608
local terms energy: -71.635335
where:
bonds (distance) C4'-P energy: -17.560
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -17.591
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -11.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -136.609517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.609517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.609517 (E_RNA)
where:
Base-Base interactions energy: -78.365
where: short stacking energy: -35.369
Base-Backbone interact. energy: -0.118
local terms energy: -58.125841
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -18.795
flat angles C4'-P-C4' energy: -11.423
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -2.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -96.819676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.819676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.819676 (E_RNA)
where:
Base-Base interactions energy: -42.203
where: short stacking energy: -26.127
Base-Backbone interact. energy: -0.075
local terms energy: -54.541763
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -19.616
flat angles C4'-P-C4' energy: -10.547
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: 2.024
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: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -104.366907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.366907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.366907 (E_RNA)
where:
Base-Base interactions energy: -38.037
where: short stacking energy: -37.229
Base-Backbone interact. energy: -0.370
local terms energy: -65.959536
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -20.860
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -10.618
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: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -108.798435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.798435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.798435 (E_RNA)
where:
Base-Base interactions energy: -45.828
where: short stacking energy: -30.009
Base-Backbone interact. energy: 1.360
local terms energy: -64.329983
where:
bonds (distance) C4'-P energy: -16.888
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -17.288
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -5.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -93.502158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.502158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.502158 (E_RNA)
where:
Base-Base interactions energy: -35.203
where: short stacking energy: -35.203
Base-Backbone interact. energy: -0.100
local terms energy: -58.199311
where:
bonds (distance) C4'-P energy: -12.481
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -4.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -87.591605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.591605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.591605 (E_RNA)
where:
Base-Base interactions energy: -2.367
where: short stacking energy: -2.367
Base-Backbone interact. energy: -0.000
local terms energy: -85.224455
where:
bonds (distance) C4'-P energy: -22.730
bonds (distance) P-C4' energy: -20.338
flat angles C4'-P-C4' energy: -17.159
flat angles P-C4'-P energy: -19.461
tors. eta vs tors. theta energy: -5.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -166.573612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.573612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.573612 (E_RNA)
where:
Base-Base interactions energy: -88.599
where: short stacking energy: -61.069
Base-Backbone interact. energy: 0.261
local terms energy: -78.235017
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -19.153
flat angles C4'-P-C4' energy: -17.026
flat angles P-C4'-P energy: -10.273
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: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -196.491353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.491353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.491353 (E_RNA)
where:
Base-Base interactions energy: -113.492
where: short stacking energy: -57.171
Base-Backbone interact. energy: -0.087
local terms energy: -82.912472
where:
bonds (distance) C4'-P energy: -17.903
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -19.283
flat angles P-C4'-P energy: -11.875
tors. eta vs tors. theta energy: -16.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -154.709463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.709463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.709463 (E_RNA)
where:
Base-Base interactions energy: -84.721
where: short stacking energy: -48.162
Base-Backbone interact. energy: -0.234
local terms energy: -69.754433
where:
bonds (distance) C4'-P energy: -18.641
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -9.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -127.164851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.164851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.164851 (E_RNA)
where:
Base-Base interactions energy: -61.398
where: short stacking energy: -34.093
Base-Backbone interact. energy: -0.246
local terms energy: -65.521096
where:
bonds (distance) C4'-P energy: -16.039
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -16.599
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -5.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -124.565636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.565636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.565636 (E_RNA)
where:
Base-Base interactions energy: -61.450
where: short stacking energy: -43.195
Base-Backbone interact. energy: -0.678
local terms energy: -62.438094
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -10.006
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: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -104.868699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.868699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.868699 (E_RNA)
where:
Base-Base interactions energy: -38.571
where: short stacking energy: -38.226
Base-Backbone interact. energy: -0.032
local terms energy: -66.266394
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -15.547
tors. eta vs tors. theta energy: -2.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -95.002510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.002510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.002510 (E_RNA)
where:
Base-Base interactions energy: -36.024
where: short stacking energy: -35.994
Base-Backbone interact. energy: -0.102
local terms energy: -58.877228
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -19.733
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -7.944
tors. eta vs tors. theta energy: -1.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -95.069361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.069361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.069361 (E_RNA)
where:
Base-Base interactions energy: -37.719
where: short stacking energy: -27.655
Base-Backbone interact. energy: -0.642
local terms energy: -56.707529
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -10.771
flat angles C4'-P-C4' energy: -18.735
flat angles P-C4'-P energy: -5.706
tors. eta vs tors. theta energy: -5.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -100.652887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.652887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.652887 (E_RNA)
where:
Base-Base interactions energy: -44.293
where: short stacking energy: -37.987
Base-Backbone interact. energy: -0.301
local terms energy: -56.059419
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -6.834
flat angles P-C4'-P energy: -7.685
tors. eta vs tors. theta energy: -7.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -95.411657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.411657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.411657 (E_RNA)
where:
Base-Base interactions energy: -36.035
where: short stacking energy: -27.439
Base-Backbone interact. energy: -0.029
local terms energy: -59.347992
where:
bonds (distance) C4'-P energy: -18.070
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -9.649
flat angles P-C4'-P energy: -10.206
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: 1, replica: 3
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -226.264788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.264788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.264788 (E_RNA)
where:
Base-Base interactions energy: -141.656
where: short stacking energy: -71.516
Base-Backbone interact. energy: -0.004
local terms energy: -84.605543
where:
bonds (distance) C4'-P energy: -18.099
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -18.001
flat angles P-C4'-P energy: -11.164
tors. eta vs tors. theta energy: -20.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -169.039752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.039752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.039752 (E_RNA)
where:
Base-Base interactions energy: -98.857
where: short stacking energy: -48.540
Base-Backbone interact. energy: -0.260
local terms energy: -69.922887
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -14.321
tors. eta vs tors. theta energy: -9.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -189.512731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.512731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.512731 (E_RNA)
where:
Base-Base interactions energy: -115.865
where: short stacking energy: -54.552
Base-Backbone interact. energy: 0.284
local terms energy: -73.930902
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -12.949
tors. eta vs tors. theta energy: -12.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -120.169594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.169594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.169594 (E_RNA)
where:
Base-Base interactions energy: -51.274
where: short stacking energy: -37.617
Base-Backbone interact. energy: -0.036
local terms energy: -68.859583
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -20.386
flat angles C4'-P-C4' energy: -14.399
flat angles P-C4'-P energy: -13.367
tors. eta vs tors. theta energy: -6.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -112.592881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.592881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.592881 (E_RNA)
where:
Base-Base interactions energy: -47.051
where: short stacking energy: -33.025
Base-Backbone interact. energy: -0.275
local terms energy: -65.267156
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -15.086
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -9.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -101.899185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.899185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.899185 (E_RNA)
where:
Base-Base interactions energy: -44.110
where: short stacking energy: -35.687
Base-Backbone interact. energy: 1.971
local terms energy: -59.760333
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -16.724
flat angles C4'-P-C4' energy: -10.006
flat angles P-C4'-P energy: -7.459
tors. eta vs tors. theta energy: -8.826
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: 8
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -110.284270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.284270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.284270 (E_RNA)
where:
Base-Base interactions energy: -38.767
where: short stacking energy: -29.720
Base-Backbone interact. energy: -1.571
local terms energy: -69.945916
where:
bonds (distance) C4'-P energy: -19.502
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -11.841
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -10.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -92.450524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.450524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.450524 (E_RNA)
where:
Base-Base interactions energy: -42.781
where: short stacking energy: -41.591
Base-Backbone interact. energy: -0.153
local terms energy: -49.516559
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -7.960
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -2.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -85.616972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.616972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.616972 (E_RNA)
where:
Base-Base interactions energy: -32.778
where: short stacking energy: -30.789
Base-Backbone interact. energy: 0.557
local terms energy: -53.395620
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -18.050
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: 3.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -86.531757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.531757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.531757 (E_RNA)
where:
Base-Base interactions energy: -34.475
where: short stacking energy: -29.812
Base-Backbone interact. energy: -0.088
local terms energy: -51.968984
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -15.872
flat angles C4'-P-C4' energy: -9.793
flat angles P-C4'-P energy: -9.514
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: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -220.910399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.910399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.910399 (E_RNA)
where:
Base-Base interactions energy: -138.536
where: short stacking energy: -69.264
Base-Backbone interact. energy: -0.192
local terms energy: -82.182323
where:
bonds (distance) C4'-P energy: -18.553
bonds (distance) P-C4' energy: -20.200
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -16.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -216.278180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.278180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.278180 (E_RNA)
where:
Base-Base interactions energy: -131.110
where: short stacking energy: -65.961
Base-Backbone interact. energy: 0.673
local terms energy: -85.841646
where:
bonds (distance) C4'-P energy: -15.938
bonds (distance) P-C4' energy: -20.377
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -13.307
tors. eta vs tors. theta energy: -21.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -195.511050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.511050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.511050 (E_RNA)
where:
Base-Base interactions energy: -122.110
where: short stacking energy: -61.852
Base-Backbone interact. energy: -0.991
local terms energy: -72.410333
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -13.865
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -15.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -138.478015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.478015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.478015 (E_RNA)
where:
Base-Base interactions energy: -59.945
where: short stacking energy: -46.878
Base-Backbone interact. energy: -0.361
local terms energy: -78.171168
where:
bonds (distance) C4'-P energy: -17.468
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -17.559
flat angles P-C4'-P energy: -13.893
tors. eta vs tors. theta energy: -11.126
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: 5
Temperature: 1.100000
Total energy: -125.826838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.826838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.826838 (E_RNA)
where:
Base-Base interactions energy: -60.068
where: short stacking energy: -33.493
Base-Backbone interact. energy: -0.542
local terms energy: -65.216618
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -6.566
tors. eta vs tors. theta energy: -9.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -107.942644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.942644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.942644 (E_RNA)
where:
Base-Base interactions energy: -49.024
where: short stacking energy: -39.421
Base-Backbone interact. energy: 0.561
local terms energy: -59.480530
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -11.727
flat angles P-C4'-P energy: -8.450
tors. eta vs tors. theta energy: -8.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -105.708064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.708064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.708064 (E_RNA)
where:
Base-Base interactions energy: -36.281
where: short stacking energy: -36.281
Base-Backbone interact. energy: -0.231
local terms energy: -69.196198
where:
bonds (distance) C4'-P energy: -18.847
bonds (distance) P-C4' energy: -18.326
flat angles C4'-P-C4' energy: -16.877
flat angles P-C4'-P energy: -9.537
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: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -106.191536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.191536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.191536 (E_RNA)
where:
Base-Base interactions energy: -45.791
where: short stacking energy: -16.686
Base-Backbone interact. energy: 0.905
local terms energy: -61.305741
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -18.845
flat angles C4'-P-C4' energy: -11.674
flat angles P-C4'-P energy: -13.313
tors. eta vs tors. theta energy: -1.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -93.651089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.651089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.651089 (E_RNA)
where:
Base-Base interactions energy: -28.461
where: short stacking energy: -28.461
Base-Backbone interact. energy: -0.022
local terms energy: -65.168289
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -18.543
flat angles C4'-P-C4' energy: -18.354
flat angles P-C4'-P energy: -11.157
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: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -92.501286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.501286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.501286 (E_RNA)
where:
Base-Base interactions energy: -38.896
where: short stacking energy: -35.268
Base-Backbone interact. energy: -0.060
local terms energy: -53.545039
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -4.379
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: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -222.620248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.620248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.620248 (E_RNA)
where:
Base-Base interactions energy: -142.277
where: short stacking energy: -63.898
Base-Backbone interact. energy: -0.105
local terms energy: -80.238821
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -18.074
flat angles C4'-P-C4' energy: -16.772
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -18.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -222.065901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.065901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.065901 (E_RNA)
where:
Base-Base interactions energy: -138.831
where: short stacking energy: -69.786
Base-Backbone interact. energy: -0.562
local terms energy: -82.672139
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -19.495
flat angles C4'-P-C4' energy: -19.527
flat angles P-C4'-P energy: -13.443
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: 3, replica: 4
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -138.380373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.380373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.380373 (E_RNA)
where:
Base-Base interactions energy: -75.870
where: short stacking energy: -42.645
Base-Backbone interact. energy: -0.038
local terms energy: -62.472102
where:
bonds (distance) C4'-P energy: -14.068
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -13.270
tors. eta vs tors. theta energy: -5.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -191.171402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.171402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.171402 (E_RNA)
where:
Base-Base interactions energy: -119.738
where: short stacking energy: -67.954
Base-Backbone interact. energy: -0.489
local terms energy: -70.944978
where:
bonds (distance) C4'-P energy: -14.382
bonds (distance) P-C4' energy: -11.660
flat angles C4'-P-C4' energy: -18.192
flat angles P-C4'-P energy: -7.373
tors. eta vs tors. theta energy: -19.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -132.848913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.848913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.848913 (E_RNA)
where:
Base-Base interactions energy: -77.245
where: short stacking energy: -35.454
Base-Backbone interact. energy: -0.302
local terms energy: -55.301482
where:
bonds (distance) C4'-P energy: -17.772
bonds (distance) P-C4' energy: -17.805
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -3.372
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: 6, replica: 5
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -103.509002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.509002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.509002 (E_RNA)
where:
Base-Base interactions energy: -39.973
where: short stacking energy: -28.953
Base-Backbone interact. energy: -0.119
local terms energy: -63.416782
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -5.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -92.678959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.678959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.678959 (E_RNA)
where:
Base-Base interactions energy: -34.459
where: short stacking energy: -34.459
Base-Backbone interact. energy: 0.790
local terms energy: -59.010500
where:
bonds (distance) C4'-P energy: -11.728
bonds (distance) P-C4' energy: -14.911
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -9.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -87.742278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.742278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.742278 (E_RNA)
where:
Base-Base interactions energy: -38.310
where: short stacking energy: -23.866
Base-Backbone interact. energy: -0.624
local terms energy: -48.808107
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -11.577
flat angles P-C4'-P energy: -9.078
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: 9, replica: 9
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -84.180767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.180767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.180767 (E_RNA)
where:
Base-Base interactions energy: -31.330
where: short stacking energy: -31.330
Base-Backbone interact. energy: 0.812
local terms energy: -53.662649
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -8.603
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: 10, replica: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -88.479581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.479581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.479581 (E_RNA)
where:
Base-Base interactions energy: -32.497
where: short stacking energy: -17.725
Base-Backbone interact. energy: -0.210
local terms energy: -55.771807
where:
bonds (distance) C4'-P energy: -19.129
bonds (distance) P-C4' energy: -16.109
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: 2.883
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: 7
Temperature: 0.900000
Total energy: -227.224408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.224408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.224408 (E_RNA)
where:
Base-Base interactions energy: -144.713
where: short stacking energy: -74.112
Base-Backbone interact. energy: -0.156
local terms energy: -82.356244
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -10.903
tors. eta vs tors. theta energy: -22.796
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: 3
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -222.959641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.959641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.959641 (E_RNA)
where:
Base-Base interactions energy: -139.849
where: short stacking energy: -66.733
Base-Backbone interact. energy: -0.055
local terms energy: -83.056060
where:
bonds (distance) C4'-P energy: -19.368
bonds (distance) P-C4' energy: -18.446
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -12.031
tors. eta vs tors. theta energy: -18.822
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: 4
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -126.870272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.870272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.870272 (E_RNA)
where:
Base-Base interactions energy: -49.210
where: short stacking energy: -45.987
Base-Backbone interact. energy: -0.181
local terms energy: -77.479843
where:
bonds (distance) C4'-P energy: -17.597
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -17.661
flat angles P-C4'-P energy: -13.510
tors. eta vs tors. theta energy: -9.403
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: 7
Temperature: 1.050000
Total energy: -144.599406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.599406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.599406 (E_RNA)
where:
Base-Base interactions energy: -86.998
where: short stacking energy: -39.741
Base-Backbone interact. energy: -0.509
local terms energy: -57.092604
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -14.984
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -4.413
tors. eta vs tors. theta energy: -8.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -160.682466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.682466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.682466 (E_RNA)
where:
Base-Base interactions energy: -92.220
where: short stacking energy: -50.811
Base-Backbone interact. energy: -0.007
local terms energy: -68.456258
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -18.370
flat angles C4'-P-C4' energy: -10.994
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -12.288
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: 6, replica: 5
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -116.312812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.312812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.312812 (E_RNA)
where:
Base-Base interactions energy: -58.755
where: short stacking energy: -31.295
Base-Backbone interact. energy: -0.563
local terms energy: -56.994905
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -10.242
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: 7, replica: 10
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -107.139746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.139746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.139746 (E_RNA)
where:
Base-Base interactions energy: -38.375
where: short stacking energy: -35.489
Base-Backbone interact. energy: -0.083
local terms energy: -68.681321
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -11.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -97.224980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.224980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.224980 (E_RNA)
where:
Base-Base interactions energy: -41.850
where: short stacking energy: -32.040
Base-Backbone interact. energy: -0.551
local terms energy: -54.823461
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -6.852
tors. eta vs tors. theta energy: -3.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -90.749436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.749436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.749436 (E_RNA)
where:
Base-Base interactions energy: -37.805
where: short stacking energy: -25.608
Base-Backbone interact. energy: -1.092
local terms energy: -51.851935
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -13.393
flat angles C4'-P-C4' energy: -8.679
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -4.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -86.453102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.453102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.453102 (E_RNA)
where:
Base-Base interactions energy: -31.532
where: short stacking energy: -30.978
Base-Backbone interact. energy: -0.128
local terms energy: -54.793187
where:
bonds (distance) C4'-P energy: -17.337
bonds (distance) P-C4' energy: -11.520
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -4.903
tors. eta vs tors. theta energy: -4.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -222.209090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.209090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.209090 (E_RNA)
where:
Base-Base interactions energy: -136.590
where: short stacking energy: -62.775
Base-Backbone interact. energy: -1.415
local terms energy: -84.204065
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -20.398
flat angles C4'-P-C4' energy: -18.385
flat angles P-C4'-P energy: -12.295
tors. eta vs tors. theta energy: -18.303
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: 3
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -217.550376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.550376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.550376 (E_RNA)
where:
Base-Base interactions energy: -136.896
where: short stacking energy: -74.937
Base-Backbone interact. energy: 0.274
local terms energy: -80.928857
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -19.115
flat angles P-C4'-P energy: -8.133
tors. eta vs tors. theta energy: -21.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -166.278399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.278399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.278399 (E_RNA)
where:
Base-Base interactions energy: -98.296
where: short stacking energy: -55.577
Base-Backbone interact. energy: -0.168
local terms energy: -67.815000
where:
bonds (distance) C4'-P energy: -10.820
bonds (distance) P-C4' energy: -17.666
flat angles C4'-P-C4' energy: -17.820
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -11.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -115.542160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.542160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.542160 (E_RNA)
where:
Base-Base interactions energy: -40.368
where: short stacking energy: -40.368
Base-Backbone interact. energy: 1.493
local terms energy: -76.666771
where:
bonds (distance) C4'-P energy: -17.311
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -14.642
tors. eta vs tors. theta energy: -10.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -117.868377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.868377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.868377 (E_RNA)
where:
Base-Base interactions energy: -53.131
where: short stacking energy: -50.409
Base-Backbone interact. energy: -0.012
local terms energy: -64.724814
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -7.653
tors. eta vs tors. theta energy: -8.666
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: 1
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -138.875426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.875426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.875426 (E_RNA)
where:
Base-Base interactions energy: -81.357
where: short stacking energy: -38.478
Base-Backbone interact. energy: -0.084
local terms energy: -57.434403
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -13.475
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -6.739
tors. eta vs tors. theta energy: -8.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -104.703717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.703717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.703717 (E_RNA)
where:
Base-Base interactions energy: -51.971
where: short stacking energy: -32.554
Base-Backbone interact. energy: -0.055
local terms energy: -52.677657
where:
bonds (distance) C4'-P energy: -10.108
bonds (distance) P-C4' energy: -12.307
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -4.767
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: 8, replica: 10
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -93.977480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.977480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.977480 (E_RNA)
where:
Base-Base interactions energy: -47.809
where: short stacking energy: -29.143
Base-Backbone interact. energy: -0.420
local terms energy: -45.748444
where:
bonds (distance) C4'-P energy: -14.688
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -11.527
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: 3.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -86.244667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.244667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.244667 (E_RNA)
where:
Base-Base interactions energy: -30.053
where: short stacking energy: -22.235
Base-Backbone interact. energy: -0.255
local terms energy: -55.937309
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -14.583
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -3.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -101.294278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.294278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.294278 (E_RNA)
where:
Base-Base interactions energy: -38.608
where: short stacking energy: -33.196
Base-Backbone interact. energy: 0.661
local terms energy: -63.346752
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -14.226
tors. eta vs tors. theta energy: -6.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -224.459471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.459471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.459471 (E_RNA)
where:
Base-Base interactions energy: -148.220
where: short stacking energy: -68.344
Base-Backbone interact. energy: 0.347
local terms energy: -76.586219
where:
bonds (distance) C4'-P energy: -13.098
bonds (distance) P-C4' energy: -19.939
flat angles C4'-P-C4' energy: -17.566
flat angles P-C4'-P energy: -7.095
tors. eta vs tors. theta energy: -18.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -221.760106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.760106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.760106 (E_RNA)
where:
Base-Base interactions energy: -142.174
where: short stacking energy: -82.756
Base-Backbone interact. energy: -0.082
local terms energy: -79.503931
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -16.395
flat angles C4'-P-C4' energy: -17.398
flat angles P-C4'-P energy: -11.527
tors. eta vs tors. theta energy: -20.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -150.740594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.740594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.740594 (E_RNA)
where:
Base-Base interactions energy: -81.276
where: short stacking energy: -61.031
Base-Backbone interact. energy: -0.124
local terms energy: -69.340841
where:
bonds (distance) C4'-P energy: -17.729
bonds (distance) P-C4' energy: -14.404
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -6.704
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: 4, replica: 5
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -113.439786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.439786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.439786 (E_RNA)
where:
Base-Base interactions energy: -51.968
where: short stacking energy: -39.309
Base-Backbone interact. energy: -0.050
local terms energy: -61.421364
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -20.662
flat angles C4'-P-C4' energy: -8.786
flat angles P-C4'-P energy: -14.914
tors. eta vs tors. theta energy: -2.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -130.655898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.655898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.655898 (E_RNA)
where:
Base-Base interactions energy: -72.279
where: short stacking energy: -36.618
Base-Backbone interact. energy: -0.454
local terms energy: -57.922595
where:
bonds (distance) C4'-P energy: -19.394
bonds (distance) P-C4' energy: -20.411
flat angles C4'-P-C4' energy: -9.331
flat angles P-C4'-P energy: -4.369
tors. eta vs tors. theta energy: -4.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -106.405630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.405630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.405630 (E_RNA)
where:
Base-Base interactions energy: -43.671
where: short stacking energy: -39.743
Base-Backbone interact. energy: -0.295
local terms energy: -62.440010
where:
bonds (distance) C4'-P energy: -18.359
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -13.888
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -4.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -133.866939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.866939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.866939 (E_RNA)
where:
Base-Base interactions energy: -75.658
where: short stacking energy: -45.198
Base-Backbone interact. energy: 1.547
local terms energy: -59.756322
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -14.077
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -10.101
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: 8, replica: 6
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -82.942149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.942149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.942149 (E_RNA)
where:
Base-Base interactions energy: -32.349
where: short stacking energy: -32.349
Base-Backbone interact. energy: -0.228
local terms energy: -50.365175
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -10.110
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: -3.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -91.077522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.077522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.077522 (E_RNA)
where:
Base-Base interactions energy: -38.741
where: short stacking energy: -28.236
Base-Backbone interact. energy: -0.343
local terms energy: -51.993098
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -4.091
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: 10, replica: 7
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -83.804134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.804134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.804134 (E_RNA)
where:
Base-Base interactions energy: -30.617
where: short stacking energy: -26.853
Base-Backbone interact. energy: -0.097
local terms energy: -53.089429
where:
bonds (distance) C4'-P energy: -17.391
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: 0.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -220.801063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.801063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.801063 (E_RNA)
where:
Base-Base interactions energy: -141.454
where: short stacking energy: -58.732
Base-Backbone interact. energy: 1.528
local terms energy: -80.875135
where:
bonds (distance) C4'-P energy: -16.472
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -19.983
flat angles P-C4'-P energy: -13.307
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: 2, replica: 2
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -215.487035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.487035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.487035 (E_RNA)
where:
Base-Base interactions energy: -135.120
where: short stacking energy: -63.277
Base-Backbone interact. energy: -0.003
local terms energy: -80.363937
where:
bonds (distance) C4'-P energy: -17.416
bonds (distance) P-C4' energy: -19.592
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -17.185
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: 8
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -173.831031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.831031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.831031 (E_RNA)
where:
Base-Base interactions energy: -96.807
where: short stacking energy: -59.516
Base-Backbone interact. energy: -0.071
local terms energy: -76.953455
where:
bonds (distance) C4'-P energy: -16.844
bonds (distance) P-C4' energy: -17.804
flat angles C4'-P-C4' energy: -15.737
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: -14.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -121.712972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.712972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.712972 (E_RNA)
where:
Base-Base interactions energy: -57.863
where: short stacking energy: -38.490
Base-Backbone interact. energy: -0.058
local terms energy: -63.792134
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -13.611
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: -5.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -114.271702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.271702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.271702 (E_RNA)
where:
Base-Base interactions energy: -47.247
where: short stacking energy: -40.700
Base-Backbone interact. energy: -0.977
local terms energy: -66.047018
where:
bonds (distance) C4'-P energy: -18.053
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -3.428
tors. eta vs tors. theta energy: -14.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -104.033073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.033073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.033073 (E_RNA)
where:
Base-Base interactions energy: -35.758
where: short stacking energy: -30.945
Base-Backbone interact. energy: -0.332
local terms energy: -67.942435
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -19.926
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -13.656
tors. eta vs tors. theta energy: -7.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -97.662064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.662064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.662064 (E_RNA)
where:
Base-Base interactions energy: -38.487
where: short stacking energy: -38.487
Base-Backbone interact. energy: -0.099
local terms energy: -59.075660
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -5.100
tors. eta vs tors. theta energy: -5.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -129.922746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.922746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.922746 (E_RNA)
where:
Base-Base interactions energy: -76.087
where: short stacking energy: -43.467
Base-Backbone interact. energy: 3.238
local terms energy: -57.073506
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -13.358
flat angles C4'-P-C4' energy: -17.377
flat angles P-C4'-P energy: -3.065
tors. eta vs tors. theta energy: -10.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -86.999828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.999828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.999828 (E_RNA)
where:
Base-Base interactions energy: -36.213
where: short stacking energy: -36.213
Base-Backbone interact. energy: -0.288
local terms energy: -50.498166
where:
bonds (distance) C4'-P energy: -6.908
bonds (distance) P-C4' energy: -17.080
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -8.102
tors. eta vs tors. theta energy: -4.978
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: 7
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -74.435605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.435605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.435605 (E_RNA)
where:
Base-Base interactions energy: -27.045
where: short stacking energy: -27.045
Base-Backbone interact. energy: -0.074
local terms energy: -47.316778
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -9.651
flat angles P-C4'-P energy: -9.698
tors. eta vs tors. theta energy: 0.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -216.359205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.359205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.359205 (E_RNA)
where:
Base-Base interactions energy: -139.922
where: short stacking energy: -63.940
Base-Backbone interact. energy: -0.151
local terms energy: -76.286378
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -18.993
flat angles P-C4'-P energy: -12.007
tors. eta vs tors. theta energy: -12.974
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: 11
Temperature: 0.950000
Total energy: -224.736767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.736767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.736767 (E_RNA)
where:
Base-Base interactions energy: -146.140
where: short stacking energy: -76.445
Base-Backbone interact. energy: -0.483
local terms energy: -78.113883
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -10.913
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: 3, replica: 8
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -182.101293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.101293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.101293 (E_RNA)
where:
Base-Base interactions energy: -97.222
where: short stacking energy: -64.935
Base-Backbone interact. energy: -0.006
local terms energy: -84.873230
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -18.978
flat angles C4'-P-C4' energy: -17.365
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: -22.867
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: 5
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -123.331981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.331981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.331981 (E_RNA)
where:
Base-Base interactions energy: -51.413
where: short stacking energy: -34.752
Base-Backbone interact. energy: -0.356
local terms energy: -71.563028
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -18.588
flat angles C4'-P-C4' energy: -17.743
flat angles P-C4'-P energy: -11.674
tors. eta vs tors. theta energy: -7.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -111.184099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.184099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.184099 (E_RNA)
where:
Base-Base interactions energy: -37.616
where: short stacking energy: -35.611
Base-Backbone interact. energy: -0.068
local terms energy: -73.499932
where:
bonds (distance) C4'-P energy: -18.434
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -13.068
tors. eta vs tors. theta energy: -10.576
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: 6
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -100.477658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.477658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.477658 (E_RNA)
where:
Base-Base interactions energy: -41.635
where: short stacking energy: -29.423
Base-Backbone interact. energy: -0.066
local terms energy: -58.777425
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -2.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -96.019588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.019588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.019588 (E_RNA)
where:
Base-Base interactions energy: -24.612
where: short stacking energy: -23.813
Base-Backbone interact. energy: -0.768
local terms energy: -70.639758
where:
bonds (distance) C4'-P energy: -15.285
bonds (distance) P-C4' energy: -18.375
flat angles C4'-P-C4' energy: -17.707
flat angles P-C4'-P energy: -11.945
tors. eta vs tors. theta energy: -7.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -86.138999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.138999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.138999 (E_RNA)
where:
Base-Base interactions energy: -28.537
where: short stacking energy: -28.480
Base-Backbone interact. energy: -0.337
local terms energy: -57.265772
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -20.656
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -6.979
tors. eta vs tors. theta energy: -2.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -80.094565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.094565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.094565 (E_RNA)
where:
Base-Base interactions energy: -30.540
where: short stacking energy: -26.152
Base-Backbone interact. energy: -0.087
local terms energy: -49.467497
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -10.734
flat angles P-C4'-P energy: -4.248
tors. eta vs tors. theta energy: -4.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -85.055307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.055307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.055307 (E_RNA)
where:
Base-Base interactions energy: -32.872
where: short stacking energy: -16.095
Base-Backbone interact. energy: -0.314
local terms energy: -51.869192
where:
bonds (distance) C4'-P energy: -12.182
bonds (distance) P-C4' energy: -17.447
flat angles C4'-P-C4' energy: -12.242
flat angles P-C4'-P energy: -7.599
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: 12
Temperature: 0.900000
Total energy: -235.174696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.174696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.174696 (E_RNA)
where:
Base-Base interactions energy: -148.022
where: short stacking energy: -82.257
Base-Backbone interact. energy: -0.002
local terms energy: -87.150302
where:
bonds (distance) C4'-P energy: -17.876
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -20.276
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -23.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -197.151172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.151172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.151172 (E_RNA)
where:
Base-Base interactions energy: -120.535
where: short stacking energy: -55.237
Base-Backbone interact. energy: -0.717
local terms energy: -75.900069
where:
bonds (distance) C4'-P energy: -17.841
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -20.126
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -11.338
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: 8
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -180.792742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.792742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.792742 (E_RNA)
where:
Base-Base interactions energy: -103.155
where: short stacking energy: -66.931
Base-Backbone interact. energy: 0.266
local terms energy: -77.903340
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -18.472
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -17.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -139.984532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.984532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.984532 (E_RNA)
where:
Base-Base interactions energy: -76.734
where: short stacking energy: -45.556
Base-Backbone interact. energy: 0.416
local terms energy: -63.667185
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -17.382
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -9.286
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: 5, replica: 6
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -105.126482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.126482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.126482 (E_RNA)
where:
Base-Base interactions energy: -53.027
where: short stacking energy: -46.200
Base-Backbone interact. energy: -0.249
local terms energy: -51.850944
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -11.402
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -5.587
tors. eta vs tors. theta energy: -6.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -110.484024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.484024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.484024 (E_RNA)
where:
Base-Base interactions energy: -45.341
where: short stacking energy: -30.673
Base-Backbone interact. energy: -0.835
local terms energy: -64.308646
where:
bonds (distance) C4'-P energy: -13.111
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -14.420
tors. eta vs tors. theta energy: -7.439
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: 10
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -106.462606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.462606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.462606 (E_RNA)
where:
Base-Base interactions energy: -39.373
where: short stacking energy: -39.373
Base-Backbone interact. energy: 0.170
local terms energy: -67.259785
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -17.824
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -10.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -90.375079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.375079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.375079 (E_RNA)
where:
Base-Base interactions energy: -39.399
where: short stacking energy: -35.301
Base-Backbone interact. energy: 0.032
local terms energy: -51.008284
where:
bonds (distance) C4'-P energy: -15.889
bonds (distance) P-C4' energy: -8.047
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -0.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -104.554119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.554119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.554119 (E_RNA)
where:
Base-Base interactions energy: -55.058
where: short stacking energy: -28.062
Base-Backbone interact. energy: -0.271
local terms energy: -49.225817
where:
bonds (distance) C4'-P energy: -6.821
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -18.616
flat angles P-C4'-P energy: -4.995
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: 10, replica: 1
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -88.749200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.749200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.749200 (E_RNA)
where:
Base-Base interactions energy: -36.415
where: short stacking energy: -36.415
Base-Backbone interact. energy: -0.129
local terms energy: -52.205723
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -12.073
flat angles C4'-P-C4' energy: -10.789
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -7.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -259.524127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.524127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.524127 (E_RNA)
where:
Base-Base interactions energy: -167.862
where: short stacking energy: -86.717
Base-Backbone interact. energy: -0.005
local terms energy: -91.657111
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -17.006
flat angles C4'-P-C4' energy: -18.161
flat angles P-C4'-P energy: -15.805
tors. eta vs tors. theta energy: -25.303
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: 3
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -202.037026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.037026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.037026 (E_RNA)
where:
Base-Base interactions energy: -122.267
where: short stacking energy: -63.728
Base-Backbone interact. energy: -0.501
local terms energy: -79.268817
where:
bonds (distance) C4'-P energy: -18.608
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -18.145
flat angles P-C4'-P energy: -11.666
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: 13
Temperature: 1.000000
Total energy: -152.203481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.203481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.203481 (E_RNA)
where:
Base-Base interactions energy: -83.412
where: short stacking energy: -57.450
Base-Backbone interact. energy: -0.058
local terms energy: -68.733813
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -12.561
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -14.991
tors. eta vs tors. theta energy: -14.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -162.083505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.083505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.083505 (E_RNA)
where:
Base-Base interactions energy: -88.462
where: short stacking energy: -57.533
Base-Backbone interact. energy: -0.190
local terms energy: -73.431586
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -17.961
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -11.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -115.544142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.544142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.544142 (E_RNA)
where:
Base-Base interactions energy: -48.931
where: short stacking energy: -46.943
Base-Backbone interact. energy: 1.270
local terms energy: -67.883165
where:
bonds (distance) C4'-P energy: -16.149
bonds (distance) P-C4' energy: -13.641
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -8.135
tors. eta vs tors. theta energy: -15.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -110.927723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.927723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.927723 (E_RNA)
where:
Base-Base interactions energy: -44.121
where: short stacking energy: -40.588
Base-Backbone interact. energy: -0.166
local terms energy: -66.640989
where:
bonds (distance) C4'-P energy: -19.059
bonds (distance) P-C4' energy: -21.384
flat angles C4'-P-C4' energy: -12.449
flat angles P-C4'-P energy: -7.842
tors. eta vs tors. theta energy: -5.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -101.996040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.996040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.996040 (E_RNA)
where:
Base-Base interactions energy: -40.938
where: short stacking energy: -32.343
Base-Backbone interact. energy: -0.225
local terms energy: -60.833197
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -13.102
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -5.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -97.824782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.824782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.824782 (E_RNA)
where:
Base-Base interactions energy: -38.197
where: short stacking energy: -30.723
Base-Backbone interact. energy: -0.432
local terms energy: -59.195150
where:
bonds (distance) C4'-P energy: -9.736
bonds (distance) P-C4' energy: -19.321
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -11.150
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: 4
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -102.072458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.072458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.072458 (E_RNA)
where:
Base-Base interactions energy: -47.990
where: short stacking energy: -33.084
Base-Backbone interact. energy: -0.151
local terms energy: -53.931206
where:
bonds (distance) C4'-P energy: -17.163
bonds (distance) P-C4' energy: -16.102
flat angles C4'-P-C4' energy: -11.007
flat angles P-C4'-P energy: -5.629
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: 10, replica: 1
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -74.813709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.813709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.813709 (E_RNA)
where:
Base-Base interactions energy: -37.213
where: short stacking energy: -24.184
Base-Backbone interact. energy: -0.251
local terms energy: -37.349446
where:
bonds (distance) C4'-P energy: -7.372
bonds (distance) P-C4' energy: -9.780
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: 2.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -262.717231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.717231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.717231 (E_RNA)
where:
Base-Base interactions energy: -177.461
where: short stacking energy: -86.928
Base-Backbone interact. energy: -0.046
local terms energy: -85.210208
where:
bonds (distance) C4'-P energy: -15.649
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -17.686
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -23.663
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: 3
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -205.847390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.847390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.847390 (E_RNA)
where:
Base-Base interactions energy: -118.979
where: short stacking energy: -68.840
Base-Backbone interact. energy: -0.026
local terms energy: -86.842797
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -20.139
flat angles C4'-P-C4' energy: -18.956
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: -19.261
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: 5
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -154.967464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.967464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.967464 (E_RNA)
where:
Base-Base interactions energy: -89.697
where: short stacking energy: -56.940
Base-Backbone interact. energy: 2.359
local terms energy: -67.629321
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -17.022
flat angles P-C4'-P energy: -7.663
tors. eta vs tors. theta energy: -12.265
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: 8
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -124.615291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.615291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.615291 (E_RNA)
where:
Base-Base interactions energy: -51.860
where: short stacking energy: -51.860
Base-Backbone interact. energy: -0.007
local terms energy: -72.747969
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -13.564
tors. eta vs tors. theta energy: -14.894
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: 10
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -116.815772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.815772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.815772 (E_RNA)
where:
Base-Base interactions energy: -64.196
where: short stacking energy: -62.550
Base-Backbone interact. energy: -0.021
local terms energy: -52.598708
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -11.157
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -1.346
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: 6, replica: 6
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -119.016267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.016267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.016267 (E_RNA)
where:
Base-Base interactions energy: -52.895
where: short stacking energy: -38.755
Base-Backbone interact. energy: -0.232
local terms energy: -65.889160
where:
bonds (distance) C4'-P energy: -18.268
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -12.528
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -5.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -94.847332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.847332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.847332 (E_RNA)
where:
Base-Base interactions energy: -46.449
where: short stacking energy: -30.023
Base-Backbone interact. energy: -0.573
local terms energy: -47.825630
where:
bonds (distance) C4'-P energy: -9.347
bonds (distance) P-C4' energy: -15.989
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: 1.534
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: 9
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -110.824703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.824703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.824703 (E_RNA)
where:
Base-Base interactions energy: -49.321
where: short stacking energy: -37.240
Base-Backbone interact. energy: -0.314
local terms energy: -61.190315
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -6.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -94.230224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.230224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.230224 (E_RNA)
where:
Base-Base interactions energy: -36.911
where: short stacking energy: -36.911
Base-Backbone interact. energy: -0.105
local terms energy: -57.214165
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -9.647
flat angles C4'-P-C4' energy: -18.743
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -3.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -83.032336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.032336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.032336 (E_RNA)
where:
Base-Base interactions energy: -29.026
where: short stacking energy: -29.026
Base-Backbone interact. energy: 0.539
local terms energy: -54.545792
where:
bonds (distance) C4'-P energy: -17.199
bonds (distance) P-C4' energy: -11.830
flat angles C4'-P-C4' energy: -11.809
flat angles P-C4'-P energy: -8.274
tors. eta vs tors. theta energy: -5.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -261.714954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.714954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.714954 (E_RNA)
where:
Base-Base interactions energy: -168.036
where: short stacking energy: -82.547
Base-Backbone interact. energy: -0.019
local terms energy: -93.660066
where:
bonds (distance) C4'-P energy: -18.892
bonds (distance) P-C4' energy: -18.764
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -16.228
tors. eta vs tors. theta energy: -23.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -172.618233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.618233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.618233 (E_RNA)
where:
Base-Base interactions energy: -95.189
where: short stacking energy: -61.385
Base-Backbone interact. energy: -0.070
local terms energy: -77.358745
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -17.009
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -14.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -202.169467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.169467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.169467 (E_RNA)
where:
Base-Base interactions energy: -125.344
where: short stacking energy: -57.471
Base-Backbone interact. energy: 1.009
local terms energy: -77.834924
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -19.359
flat angles C4'-P-C4' energy: -16.872
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: -17.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -119.765141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.765141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.765141 (E_RNA)
where:
Base-Base interactions energy: -46.591
where: short stacking energy: -46.591
Base-Backbone interact. energy: -0.196
local terms energy: -72.978250
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -12.400
tors. eta vs tors. theta energy: -11.526
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: 5, replica: 10
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -121.131209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.131209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.131209 (E_RNA)
where:
Base-Base interactions energy: -52.409
where: short stacking energy: -52.409
Base-Backbone interact. energy: -0.067
local terms energy: -68.655257
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -10.314
flat angles P-C4'-P energy: -12.868
tors. eta vs tors. theta energy: -11.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -115.480321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.480321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.480321 (E_RNA)
where:
Base-Base interactions energy: -44.272
where: short stacking energy: -33.392
Base-Backbone interact. energy: -0.246
local terms energy: -70.962731
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -16.746
flat angles C4'-P-C4' energy: -18.759
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -9.020
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: 6
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -102.140989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.140989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.140989 (E_RNA)
where:
Base-Base interactions energy: -39.235
where: short stacking energy: -32.096
Base-Backbone interact. energy: -0.296
local terms energy: -62.609552
where:
bonds (distance) C4'-P energy: -18.504
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -17.173
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -1.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -88.927250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.927250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.927250 (E_RNA)
where:
Base-Base interactions energy: -23.273
where: short stacking energy: -23.273
Base-Backbone interact. energy: -0.220
local terms energy: -65.433929
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -14.818
tors. eta vs tors. theta energy: -4.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -93.445924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.445924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.445924 (E_RNA)
where:
Base-Base interactions energy: -41.202
where: short stacking energy: -30.547
Base-Backbone interact. energy: -0.264
local terms energy: -51.979852
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -14.862
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -9.305
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: 4
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -96.447975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.447975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.447975 (E_RNA)
where:
Base-Base interactions energy: -36.087
where: short stacking energy: -36.087
Base-Backbone interact. energy: 2.896
local terms energy: -63.257110
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -15.872
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -7.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -262.591586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.591586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.591586 (E_RNA)
where:
Base-Base interactions energy: -169.055
where: short stacking energy: -78.521
Base-Backbone interact. energy: -0.052
local terms energy: -93.484011
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -21.269
flat angles C4'-P-C4' energy: -19.872
flat angles P-C4'-P energy: -16.413
tors. eta vs tors. theta energy: -23.325
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: 5
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -206.933916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.933916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.933916 (E_RNA)
where:
Base-Base interactions energy: -130.569
where: short stacking energy: -63.146
Base-Backbone interact. energy: 0.011
local terms energy: -76.376005
where:
bonds (distance) C4'-P energy: -19.078
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -18.019
flat angles P-C4'-P energy: -8.839
tors. eta vs tors. theta energy: -15.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -208.355314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.355314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.355314 (E_RNA)
where:
Base-Base interactions energy: -126.156
where: short stacking energy: -70.972
Base-Backbone interact. energy: -0.278
local terms energy: -81.921539
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -16.409
flat angles C4'-P-C4' energy: -17.328
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -24.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -120.724330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.724330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.724330 (E_RNA)
where:
Base-Base interactions energy: -55.465
where: short stacking energy: -41.161
Base-Backbone interact. energy: -0.430
local terms energy: -64.829384
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -9.905
tors. eta vs tors. theta energy: -6.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -108.586146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.586146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.586146 (E_RNA)
where:
Base-Base interactions energy: -42.541
where: short stacking energy: -34.126
Base-Backbone interact. energy: -0.320
local terms energy: -65.725829
where:
bonds (distance) C4'-P energy: -16.789
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -13.632
tors. eta vs tors. theta energy: -5.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -99.542947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.542947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.542947 (E_RNA)
where:
Base-Base interactions energy: -34.588
where: short stacking energy: -34.377
Base-Backbone interact. energy: -0.295
local terms energy: -64.660391
where:
bonds (distance) C4'-P energy: -17.949
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -10.687
flat angles P-C4'-P energy: -11.860
tors. eta vs tors. theta energy: -7.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -103.200427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.200427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.200427 (E_RNA)
where:
Base-Base interactions energy: -54.290
where: short stacking energy: -34.626
Base-Backbone interact. energy: -0.977
local terms energy: -47.933875
where:
bonds (distance) C4'-P energy: -9.096
bonds (distance) P-C4' energy: -16.183
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -5.235
tors. eta vs tors. theta energy: -1.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -81.524908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.524908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.524908 (E_RNA)
where:
Base-Base interactions energy: -32.283
where: short stacking energy: -16.066
Base-Backbone interact. energy: 0.764
local terms energy: -50.005364
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: 4.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -79.264816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.264816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.264816 (E_RNA)
where:
Base-Base interactions energy: -32.572
where: short stacking energy: -30.286
Base-Backbone interact. energy: -0.096
local terms energy: -46.596927
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -13.543
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -1.049
tors. eta vs tors. theta energy: -0.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -78.294236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.294236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.294236 (E_RNA)
where:
Base-Base interactions energy: -26.860
where: short stacking energy: -20.412
Base-Backbone interact. energy: 0.972
local terms energy: -52.405892
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -19.511
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -1.406
tors. eta vs tors. theta energy: 1.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -261.247858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.247858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.247858 (E_RNA)
where:
Base-Base interactions energy: -175.339
where: short stacking energy: -78.140
Base-Backbone interact. energy: -0.003
local terms energy: -85.905617
where:
bonds (distance) C4'-P energy: -16.600
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -16.533
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -26.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -223.210996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.210996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.210996 (E_RNA)
where:
Base-Base interactions energy: -141.243
where: short stacking energy: -69.162
Base-Backbone interact. energy: -0.185
local terms energy: -81.782563
where:
bonds (distance) C4'-P energy: -18.172
bonds (distance) P-C4' energy: -20.190
flat angles C4'-P-C4' energy: -16.960
flat angles P-C4'-P energy: -11.059
tors. eta vs tors. theta energy: -15.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -202.981084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.981084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.981084 (E_RNA)
where:
Base-Base interactions energy: -132.479
where: short stacking energy: -55.933
Base-Backbone interact. energy: -0.140
local terms energy: -70.362221
where:
bonds (distance) C4'-P energy: -18.420
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -18.141
flat angles P-C4'-P energy: -5.965
tors. eta vs tors. theta energy: -13.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -121.328429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.328429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.328429 (E_RNA)
where:
Base-Base interactions energy: -66.456
where: short stacking energy: -49.216
Base-Backbone interact. energy: -0.148
local terms energy: -54.724660
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -13.108
flat angles C4'-P-C4' energy: -9.875
flat angles P-C4'-P energy: -6.138
tors. eta vs tors. theta energy: -9.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -115.867160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.867160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.867160 (E_RNA)
where:
Base-Base interactions energy: -50.219
where: short stacking energy: -49.445
Base-Backbone interact. energy: -0.247
local terms energy: -65.401378
where:
bonds (distance) C4'-P energy: -15.671
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -18.395
flat angles P-C4'-P energy: -8.946
tors. eta vs tors. theta energy: -6.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -93.735149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.735149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.735149 (E_RNA)
where:
Base-Base interactions energy: -33.690
where: short stacking energy: -29.846
Base-Backbone interact. energy: 0.494
local terms energy: -60.539635
where:
bonds (distance) C4'-P energy: -17.388
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -13.158
tors. eta vs tors. theta energy: -2.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -104.999163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.999163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.999163 (E_RNA)
where:
Base-Base interactions energy: -35.012
where: short stacking energy: -34.092
Base-Backbone interact. energy: -0.077
local terms energy: -69.909789
where:
bonds (distance) C4'-P energy: -14.491
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -18.032
flat angles P-C4'-P energy: -13.666
tors. eta vs tors. theta energy: -5.595
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: 8, replica: 4
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -85.959160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.959160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.959160 (E_RNA)
where:
Base-Base interactions energy: -29.214
where: short stacking energy: -29.214
Base-Backbone interact. energy: -0.167
local terms energy: -56.578428
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -16.517
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -9.184
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: 9, replica: 6
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -87.506470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.506470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.506470 (E_RNA)
where:
Base-Base interactions energy: -30.057
where: short stacking energy: -24.948
Base-Backbone interact. energy: 0.875
local terms energy: -58.324195
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -17.659
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: -0.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -87.067330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.067330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.067330 (E_RNA)
where:
Base-Base interactions energy: -31.985
where: short stacking energy: -25.232
Base-Backbone interact. energy: -0.156
local terms energy: -54.926067
where:
bonds (distance) C4'-P energy: -6.399
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -15.255
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -5.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -261.831512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.831512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.831512 (E_RNA)
where:
Base-Base interactions energy: -174.285
where: short stacking energy: -80.143
Base-Backbone interact. energy: -0.051
local terms energy: -87.496134
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -16.711
flat angles C4'-P-C4' energy: -19.577
flat angles P-C4'-P energy: -8.830
tors. eta vs tors. theta energy: -26.109
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: 5
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -227.647666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.647666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.647666 (E_RNA)
where:
Base-Base interactions energy: -147.818
where: short stacking energy: -62.554
Base-Backbone interact. energy: -0.701
local terms energy: -79.128767
where:
bonds (distance) C4'-P energy: -18.011
bonds (distance) P-C4' energy: -17.205
flat angles C4'-P-C4' energy: -17.844
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -14.608
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: 3
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -195.513397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.513397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.513397 (E_RNA)
where:
Base-Base interactions energy: -117.310
where: short stacking energy: -55.617
Base-Backbone interact. energy: -0.093
local terms energy: -78.109530
where:
bonds (distance) C4'-P energy: -18.979
bonds (distance) P-C4' energy: -20.355
flat angles C4'-P-C4' energy: -14.922
flat angles P-C4'-P energy: -9.274
tors. eta vs tors. theta energy: -14.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -121.105379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.105379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.105379 (E_RNA)
where:
Base-Base interactions energy: -53.351
where: short stacking energy: -35.803
Base-Backbone interact. energy: 1.444
local terms energy: -69.197967
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -9.833
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: 5, replica: 1
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -130.142761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.142761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.142761 (E_RNA)
where:
Base-Base interactions energy: -56.278
where: short stacking energy: -46.471
Base-Backbone interact. energy: -0.149
local terms energy: -73.715976
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -16.814
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -12.267
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: 6, replica: 8
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -96.136058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.136058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.136058 (E_RNA)
where:
Base-Base interactions energy: -36.341
where: short stacking energy: -34.108
Base-Backbone interact. energy: -0.117
local terms energy: -59.678303
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -17.768
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -5.631
tors. eta vs tors. theta energy: -6.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -154.480948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.480948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.480948 (E_RNA)
where:
Base-Base interactions energy: -94.281
where: short stacking energy: -41.712
Base-Backbone interact. energy: -0.131
local terms energy: -60.068860
where:
bonds (distance) C4'-P energy: -16.966
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -9.398
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -8.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -87.136757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.136757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.136757 (E_RNA)
where:
Base-Base interactions energy: -33.593
where: short stacking energy: -25.278
Base-Backbone interact. energy: -0.176
local terms energy: -53.367435
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -15.954
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: 1.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -88.304842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.304842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.304842 (E_RNA)
where:
Base-Base interactions energy: -29.389
where: short stacking energy: -22.553
Base-Backbone interact. energy: -0.303
local terms energy: -58.612536
where:
bonds (distance) C4'-P energy: -19.096
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -0.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -103.113435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.113435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.113435 (E_RNA)
where:
Base-Base interactions energy: -45.164
where: short stacking energy: -35.500
Base-Backbone interact. energy: -0.234
local terms energy: -57.715968
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -4.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -269.576151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.576151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.576151 (E_RNA)
where:
Base-Base interactions energy: -180.033
where: short stacking energy: -84.965
Base-Backbone interact. energy: -0.002
local terms energy: -89.540862
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -19.951
flat angles C4'-P-C4' energy: -16.509
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: -27.201
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: 2, replica: 5
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -243.561504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.561504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.561504 (E_RNA)
where:
Base-Base interactions energy: -159.376
where: short stacking energy: -74.972
Base-Backbone interact. energy: -0.530
local terms energy: -83.655432
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -15.855
flat angles P-C4'-P energy: -14.580
tors. eta vs tors. theta energy: -20.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -203.166314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.166314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.166314 (E_RNA)
where:
Base-Base interactions energy: -125.162
where: short stacking energy: -67.492
Base-Backbone interact. energy: -0.309
local terms energy: -77.694581
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -20.605
flat angles C4'-P-C4' energy: -12.031
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -17.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -146.763551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.763551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.763551 (E_RNA)
where:
Base-Base interactions energy: -78.149
where: short stacking energy: -56.512
Base-Backbone interact. energy: -0.125
local terms energy: -68.488981
where:
bonds (distance) C4'-P energy: -16.194
bonds (distance) P-C4' energy: -13.041
flat angles C4'-P-C4' energy: -18.208
flat angles P-C4'-P energy: -6.699
tors. eta vs tors. theta energy: -14.347
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: 10
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -123.864671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.864671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.864671 (E_RNA)
where:
Base-Base interactions energy: -50.267
where: short stacking energy: -46.460
Base-Backbone interact. energy: -0.117
local terms energy: -73.480649
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -16.087
flat angles C4'-P-C4' energy: -17.568
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -14.368
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: 4
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -212.569199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.569199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.569199 (E_RNA)
where:
Base-Base interactions energy: -131.157
where: short stacking energy: -63.039
Base-Backbone interact. energy: -0.067
local terms energy: -81.346062
where:
bonds (distance) C4'-P energy: -18.786
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -21.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -102.684858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.684858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.684858 (E_RNA)
where:
Base-Base interactions energy: -42.916
where: short stacking energy: -41.976
Base-Backbone interact. energy: -0.075
local terms energy: -59.693861
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -5.777
tors. eta vs tors. theta energy: -7.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -81.844966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.844966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.844966 (E_RNA)
where:
Base-Base interactions energy: -30.912
where: short stacking energy: -29.383
Base-Backbone interact. energy: -0.580
local terms energy: -50.352749
where:
bonds (distance) C4'-P energy: -18.525
bonds (distance) P-C4' energy: -13.475
flat angles C4'-P-C4' energy: -9.411
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -0.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -111.793328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.793328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.793328 (E_RNA)
where:
Base-Base interactions energy: -50.860
where: short stacking energy: -48.421
Base-Backbone interact. energy: 0.973
local terms energy: -61.906019
where:
bonds (distance) C4'-P energy: -9.538
bonds (distance) P-C4' energy: -17.301
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: -7.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -99.791548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.791548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.791548 (E_RNA)
where:
Base-Base interactions energy: -33.776
where: short stacking energy: -26.792
Base-Backbone interact. energy: -0.614
local terms energy: -65.402092
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -18.224
flat angles C4'-P-C4' energy: -19.619
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: 0.248
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: 20
Temperature: 0.900000
Total energy: -265.292703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.292703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.292703 (E_RNA)
where:
Base-Base interactions energy: -177.205
where: short stacking energy: -84.189
Base-Backbone interact. energy: -0.005
local terms energy: -88.082924
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -17.587
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -28.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -261.388792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.388792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.388792 (E_RNA)
where:
Base-Base interactions energy: -169.077
where: short stacking energy: -77.978
Base-Backbone interact. energy: -0.104
local terms energy: -92.208771
where:
bonds (distance) C4'-P energy: -16.714
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -20.355
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -25.126
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: 3
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -209.480538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.480538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.480538 (E_RNA)
where:
Base-Base interactions energy: -122.164
where: short stacking energy: -70.217
Base-Backbone interact. energy: -0.047
local terms energy: -87.269657
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -16.453
flat angles C4'-P-C4' energy: -18.786
flat angles P-C4'-P energy: -13.666
tors. eta vs tors. theta energy: -21.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -108.781448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.781448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.781448 (E_RNA)
where:
Base-Base interactions energy: -42.818
where: short stacking energy: -38.078
Base-Backbone interact. energy: -0.387
local terms energy: -65.575833
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -12.849
tors. eta vs tors. theta energy: -7.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -248.611708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.611708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.611708 (E_RNA)
where:
Base-Base interactions energy: -157.455
where: short stacking energy: -76.424
Base-Backbone interact. energy: -0.005
local terms energy: -91.150879
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -19.527
flat angles C4'-P-C4' energy: -18.589
flat angles P-C4'-P energy: -14.267
tors. eta vs tors. theta energy: -24.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -97.786792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.786792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.786792 (E_RNA)
where:
Base-Base interactions energy: -37.270
where: short stacking energy: -32.464
Base-Backbone interact. energy: -0.574
local terms energy: -59.943148
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -12.794
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -5.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -109.505339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.505339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.505339 (E_RNA)
where:
Base-Base interactions energy: -42.456
where: short stacking energy: -43.256
Base-Backbone interact. energy: -0.060
local terms energy: -66.990281
where:
bonds (distance) C4'-P energy: -18.737
bonds (distance) P-C4' energy: -15.146
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -6.591
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: 8
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -103.775419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.775419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.775419 (E_RNA)
where:
Base-Base interactions energy: -34.817
where: short stacking energy: -34.817
Base-Backbone interact. energy: -0.163
local terms energy: -68.795588
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -16.734
flat angles P-C4'-P energy: -8.398
tors. eta vs tors. theta energy: -11.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -92.146523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.146523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.146523 (E_RNA)
where:
Base-Base interactions energy: -39.861
where: short stacking energy: -25.099
Base-Backbone interact. energy: -0.275
local terms energy: -52.010517
where:
bonds (distance) C4'-P energy: -20.047
bonds (distance) P-C4' energy: -11.864
flat angles C4'-P-C4' energy: -11.171
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -1.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -76.650668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.650668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.650668 (E_RNA)
where:
Base-Base interactions energy: -21.305
where: short stacking energy: -14.628
Base-Backbone interact. energy: -0.250
local terms energy: -55.095204
where:
bonds (distance) C4'-P energy: -15.479
bonds (distance) P-C4' energy: -16.748
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: 2.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -266.084074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.084074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.084074 (E_RNA)
where:
Base-Base interactions energy: -174.941
where: short stacking energy: -82.740
Base-Backbone interact. energy: -0.075
local terms energy: -91.068733
where:
bonds (distance) C4'-P energy: -18.835
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -18.300
flat angles P-C4'-P energy: -13.468
tors. eta vs tors. theta energy: -26.354
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: 5
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -270.529606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.529606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.529606 (E_RNA)
where:
Base-Base interactions energy: -174.457
where: short stacking energy: -79.156
Base-Backbone interact. energy: -0.008
local terms energy: -96.064071
where:
bonds (distance) C4'-P energy: -19.469
bonds (distance) P-C4' energy: -17.406
flat angles C4'-P-C4' energy: -18.725
flat angles P-C4'-P energy: -14.621
tors. eta vs tors. theta energy: -25.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -201.156314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.156314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.156314 (E_RNA)
where:
Base-Base interactions energy: -129.644
where: short stacking energy: -57.130
Base-Backbone interact. energy: -0.113
local terms energy: -71.398899
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -21.562
flat angles C4'-P-C4' energy: -11.346
flat angles P-C4'-P energy: -6.423
tors. eta vs tors. theta energy: -17.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -251.444038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.444038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.444038 (E_RNA)
where:
Base-Base interactions energy: -165.135
where: short stacking energy: -82.550
Base-Backbone interact. energy: -0.002
local terms energy: -86.306462
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -18.099
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -26.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -133.137467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.137467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.137467 (E_RNA)
where:
Base-Base interactions energy: -70.548
where: short stacking energy: -40.926
Base-Backbone interact. energy: -0.023
local terms energy: -62.567184
where:
bonds (distance) C4'-P energy: -15.189
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -18.040
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: -5.968
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: 9
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -106.591393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.591393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.591393 (E_RNA)
where:
Base-Base interactions energy: -48.661
where: short stacking energy: -30.090
Base-Backbone interact. energy: 0.839
local terms energy: -58.769157
where:
bonds (distance) C4'-P energy: -8.386
bonds (distance) P-C4' energy: -20.401
flat angles C4'-P-C4' energy: -12.688
flat angles P-C4'-P energy: -8.727
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: 7, replica: 10
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -129.752319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.752319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.752319 (E_RNA)
where:
Base-Base interactions energy: -76.927
where: short stacking energy: -40.398
Base-Backbone interact. energy: 0.070
local terms energy: -52.895611
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -16.661
flat angles P-C4'-P energy: -9.592
tors. eta vs tors. theta energy: -1.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -98.001426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.001426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.001426 (E_RNA)
where:
Base-Base interactions energy: -38.938
where: short stacking energy: -36.114
Base-Backbone interact. energy: -1.892
local terms energy: -57.171363
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -12.179
flat angles C4'-P-C4' energy: -16.959
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -6.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -82.959245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.959245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.959245 (E_RNA)
where:
Base-Base interactions energy: -28.257
where: short stacking energy: -28.257
Base-Backbone interact. energy: -0.489
local terms energy: -54.213809
where:
bonds (distance) C4'-P energy: -17.042
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -6.847
tors. eta vs tors. theta energy: 0.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -90.549591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.549591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.549591 (E_RNA)
where:
Base-Base interactions energy: -24.052
where: short stacking energy: -22.751
Base-Backbone interact. energy: -0.009
local terms energy: -66.489129
where:
bonds (distance) C4'-P energy: -15.421
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -14.252
flat angles P-C4'-P energy: -11.176
tors. eta vs tors. theta energy: -7.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -273.121001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.121001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.121001 (E_RNA)
where:
Base-Base interactions energy: -177.133
where: short stacking energy: -83.870
Base-Backbone interact. energy: -0.102
local terms energy: -95.886598
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -19.693
flat angles C4'-P-C4' energy: -19.611
flat angles P-C4'-P energy: -12.712
tors. eta vs tors. theta energy: -26.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -259.137162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.137162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.137162 (E_RNA)
where:
Base-Base interactions energy: -167.111
where: short stacking energy: -85.783
Base-Backbone interact. energy: -0.027
local terms energy: -91.998665
where:
bonds (distance) C4'-P energy: -17.168
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -17.838
flat angles P-C4'-P energy: -14.546
tors. eta vs tors. theta energy: -26.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -251.297747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.297747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.297747 (E_RNA)
where:
Base-Base interactions energy: -161.707
where: short stacking energy: -87.108
Base-Backbone interact. energy: -0.165
local terms energy: -89.426011
where:
bonds (distance) C4'-P energy: -14.907
bonds (distance) P-C4' energy: -17.634
flat angles C4'-P-C4' energy: -18.731
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -28.293
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: 3
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -198.750821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.750821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.750821 (E_RNA)
where:
Base-Base interactions energy: -119.459
where: short stacking energy: -62.986
Base-Backbone interact. energy: -0.875
local terms energy: -78.416847
where:
bonds (distance) C4'-P energy: -16.462
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -19.478
flat angles P-C4'-P energy: -11.236
tors. eta vs tors. theta energy: -17.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -135.106164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.106164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.106164 (E_RNA)
where:
Base-Base interactions energy: -72.425
where: short stacking energy: -48.387
Base-Backbone interact. energy: 0.266
local terms energy: -62.947503
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -16.134
flat angles C4'-P-C4' energy: -14.698
flat angles P-C4'-P energy: -11.557
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: 6, replica: 9
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -122.336077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.336077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.336077 (E_RNA)
where:
Base-Base interactions energy: -65.665
where: short stacking energy: -27.117
Base-Backbone interact. energy: 0.537
local terms energy: -57.207674
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -17.078
flat angles C4'-P-C4' energy: -8.715
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -5.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -122.313259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.313259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.313259 (E_RNA)
where:
Base-Base interactions energy: -57.343
where: short stacking energy: -26.568
Base-Backbone interact. energy: -0.067
local terms energy: -64.902370
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -16.627
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -7.988
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: 6
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -90.379576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.379576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.379576 (E_RNA)
where:
Base-Base interactions energy: -35.976
where: short stacking energy: -35.976
Base-Backbone interact. energy: 0.029
local terms energy: -54.433087
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -14.079
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -3.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -92.690826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.690826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.690826 (E_RNA)
where:
Base-Base interactions energy: -35.169
where: short stacking energy: -29.408
Base-Backbone interact. energy: -1.565
local terms energy: -55.956598
where:
bonds (distance) C4'-P energy: -19.308
bonds (distance) P-C4' energy: -19.306
flat angles C4'-P-C4' energy: -9.093
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: 0.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -84.860647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.860647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.860647 (E_RNA)
where:
Base-Base interactions energy: -26.417
where: short stacking energy: -26.417
Base-Backbone interact. energy: -0.151
local terms energy: -58.292782
where:
bonds (distance) C4'-P energy: -16.704
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -10.528
flat angles P-C4'-P energy: -8.939
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: 1, replica: 2
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -263.984405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.984405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.984405 (E_RNA)
where:
Base-Base interactions energy: -177.804
where: short stacking energy: -76.733
Base-Backbone interact. energy: -1.629
local terms energy: -84.551224
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -11.958
tors. eta vs tors. theta energy: -24.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -252.649603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.649603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.649603 (E_RNA)
where:
Base-Base interactions energy: -165.413
where: short stacking energy: -81.626
Base-Backbone interact. energy: 1.739
local terms energy: -88.975978
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -18.707
flat angles P-C4'-P energy: -12.737
tors. eta vs tors. theta energy: -26.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -251.362326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.362326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.362326 (E_RNA)
where:
Base-Base interactions energy: -162.355
where: short stacking energy: -75.537
Base-Backbone interact. energy: -0.087
local terms energy: -88.920120
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -18.070
flat angles P-C4'-P energy: -14.733
tors. eta vs tors. theta energy: -22.969
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: 3
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -173.139501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.139501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.139501 (E_RNA)
where:
Base-Base interactions energy: -100.137
where: short stacking energy: -49.698
Base-Backbone interact. energy: -0.457
local terms energy: -72.545898
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -16.775
flat angles P-C4'-P energy: -13.474
tors. eta vs tors. theta energy: -11.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -150.801595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.801595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.801595 (E_RNA)
where:
Base-Base interactions energy: -85.604
where: short stacking energy: -51.761
Base-Backbone interact. energy: -0.108
local terms energy: -65.088976
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -10.835
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: -13.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -104.764294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.764294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.764294 (E_RNA)
where:
Base-Base interactions energy: -42.895
where: short stacking energy: -42.895
Base-Backbone interact. energy: 1.184
local terms energy: -63.053039
where:
bonds (distance) C4'-P energy: -6.120
bonds (distance) P-C4' energy: -13.528
flat angles C4'-P-C4' energy: -18.989
flat angles P-C4'-P energy: -11.688
tors. eta vs tors. theta energy: -12.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -102.357512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.357512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.357512 (E_RNA)
where:
Base-Base interactions energy: -38.657
where: short stacking energy: -38.657
Base-Backbone interact. energy: -0.031
local terms energy: -63.669561
where:
bonds (distance) C4'-P energy: -11.442
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -11.945
tors. eta vs tors. theta energy: -9.400
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: 7
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -89.733906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.733906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.733906 (E_RNA)
where:
Base-Base interactions energy: -29.202
where: short stacking energy: -28.009
Base-Backbone interact. energy: -0.152
local terms energy: -60.379069
where:
bonds (distance) C4'-P energy: -16.546
bonds (distance) P-C4' energy: -15.999
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -8.093
tors. eta vs tors. theta energy: -5.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -89.013260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.013260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.013260 (E_RNA)
where:
Base-Base interactions energy: -39.355
where: short stacking energy: -37.382
Base-Backbone interact. energy: -0.220
local terms energy: -49.437898
where:
bonds (distance) C4'-P energy: -11.785
bonds (distance) P-C4' energy: -7.296
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -9.812
tors. eta vs tors. theta energy: -6.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -81.059213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.059213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.059213 (E_RNA)
where:
Base-Base interactions energy: -38.943
where: short stacking energy: -19.878
Base-Backbone interact. energy: -0.177
local terms energy: -41.939373
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -9.482
flat angles C4'-P-C4' energy: -10.298
flat angles P-C4'-P energy: -7.822
tors. eta vs tors. theta energy: -2.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -258.431488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.431488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.431488 (E_RNA)
where:
Base-Base interactions energy: -174.422
where: short stacking energy: -80.204
Base-Backbone interact. energy: -0.397
local terms energy: -83.612519
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -11.917
tors. eta vs tors. theta energy: -25.541
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: 5
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -251.583794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.583794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.583794 (E_RNA)
where:
Base-Base interactions energy: -158.588
where: short stacking energy: -77.697
Base-Backbone interact. energy: -0.218
local terms energy: -92.778610
where:
bonds (distance) C4'-P energy: -16.182
bonds (distance) P-C4' energy: -18.144
flat angles C4'-P-C4' energy: -18.648
flat angles P-C4'-P energy: -14.363
tors. eta vs tors. theta energy: -25.442
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: 24
Temperature: 1.000000
Total energy: -245.230270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.230270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.230270 (E_RNA)
where:
Base-Base interactions energy: -162.220
where: short stacking energy: -72.513
Base-Backbone interact. energy: -0.034
local terms energy: -82.976922
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -16.856
flat angles P-C4'-P energy: -14.779
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: 3
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -183.566921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.566921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.566921 (E_RNA)
where:
Base-Base interactions energy: -114.477
where: short stacking energy: -59.448
Base-Backbone interact. energy: 1.217
local terms energy: -70.307542
where:
bonds (distance) C4'-P energy: -17.034
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -7.148
tors. eta vs tors. theta energy: -14.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -140.915965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.915965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.915965 (E_RNA)
where:
Base-Base interactions energy: -76.317
where: short stacking energy: -29.376
Base-Backbone interact. energy: -0.089
local terms energy: -64.510053
where:
bonds (distance) C4'-P energy: -15.020
bonds (distance) P-C4' energy: -19.098
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -4.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -108.187218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.187218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.187218 (E_RNA)
where:
Base-Base interactions energy: -43.672
where: short stacking energy: -44.154
Base-Backbone interact. energy: -0.098
local terms energy: -64.418053
where:
bonds (distance) C4'-P energy: -12.367
bonds (distance) P-C4' energy: -17.735
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -7.714
tors. eta vs tors. theta energy: -10.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -88.278305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.278305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.278305 (E_RNA)
where:
Base-Base interactions energy: -37.416
where: short stacking energy: -15.213
Base-Backbone interact. energy: 0.652
local terms energy: -51.514333
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: 1.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -92.205945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.205945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.205945 (E_RNA)
where:
Base-Base interactions energy: -30.340
where: short stacking energy: -30.340
Base-Backbone interact. energy: -0.053
local terms energy: -61.812382
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -12.968
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -5.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -82.100074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.100074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.100074 (E_RNA)
where:
Base-Base interactions energy: -32.565
where: short stacking energy: -25.800
Base-Backbone interact. energy: 0.528
local terms energy: -50.063176
where:
bonds (distance) C4'-P energy: -11.019
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -17.280
flat angles P-C4'-P energy: -6.484
tors. eta vs tors. theta energy: -0.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -97.129824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.129824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.129824 (E_RNA)
where:
Base-Base interactions energy: -36.854
where: short stacking energy: -36.854
Base-Backbone interact. energy: -0.443
local terms energy: -59.832883
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -18.288
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -5.311
tors. eta vs tors. theta energy: -7.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -261.680378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.680378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.680378 (E_RNA)
where:
Base-Base interactions energy: -168.723
where: short stacking energy: -85.520
Base-Backbone interact. energy: -0.020
local terms energy: -92.937114
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -20.644
flat angles C4'-P-C4' energy: -17.779
flat angles P-C4'-P energy: -14.857
tors. eta vs tors. theta energy: -24.411
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: 5
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -249.321235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.321235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.321235 (E_RNA)
where:
Base-Base interactions energy: -163.253
where: short stacking energy: -71.951
Base-Backbone interact. energy: -1.792
local terms energy: -84.276538
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -18.440
flat angles P-C4'-P energy: -15.277
tors. eta vs tors. theta energy: -22.406
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: 3, replica: 4
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -258.709747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.709747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.709747 (E_RNA)
where:
Base-Base interactions energy: -167.782
where: short stacking energy: -78.427
Base-Backbone interact. energy: -0.007
local terms energy: -90.920405
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -19.570
flat angles C4'-P-C4' energy: -17.318
flat angles P-C4'-P energy: -13.356
tors. eta vs tors. theta energy: -27.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -190.059068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.059068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.059068 (E_RNA)
where:
Base-Base interactions energy: -120.394
where: short stacking energy: -62.425
Base-Backbone interact. energy: -0.773
local terms energy: -68.892106
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -5.756
tors. eta vs tors. theta energy: -15.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -141.698461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.698461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.698461 (E_RNA)
where:
Base-Base interactions energy: -67.677
where: short stacking energy: -45.023
Base-Backbone interact. energy: -0.881
local terms energy: -73.140508
where:
bonds (distance) C4'-P energy: -19.104
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -9.947
tors. eta vs tors. theta energy: -12.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -114.889140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.889140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.889140 (E_RNA)
where:
Base-Base interactions energy: -53.921
where: short stacking energy: -38.125
Base-Backbone interact. energy: -0.211
local terms energy: -60.756222
where:
bonds (distance) C4'-P energy: -13.865
bonds (distance) P-C4' energy: -16.753
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -12.105
tors. eta vs tors. theta energy: -4.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -103.904248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.904248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.904248 (E_RNA)
where:
Base-Base interactions energy: -47.289
where: short stacking energy: -21.915
Base-Backbone interact. energy: -0.433
local terms energy: -56.181490
where:
bonds (distance) C4'-P energy: -12.237
bonds (distance) P-C4' energy: -15.227
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -1.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -100.265330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.265330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.265330 (E_RNA)
where:
Base-Base interactions energy: -34.826
where: short stacking energy: -34.826
Base-Backbone interact. energy: -0.157
local terms energy: -65.282888
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -18.958
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -8.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -81.198215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.198215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.198215 (E_RNA)
where:
Base-Base interactions energy: -33.445
where: short stacking energy: -27.654
Base-Backbone interact. energy: 0.780
local terms energy: -48.533127
where:
bonds (distance) C4'-P energy: -10.577
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -12.972
flat angles P-C4'-P energy: -8.535
tors. eta vs tors. theta energy: -3.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -87.769355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.769355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.769355 (E_RNA)
where:
Base-Base interactions energy: -31.699
where: short stacking energy: -28.597
Base-Backbone interact. energy: -0.055
local terms energy: -56.015145
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -20.091
flat angles C4'-P-C4' energy: -5.753
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -4.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -267.503622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.503622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.503622 (E_RNA)
where:
Base-Base interactions energy: -176.980
where: short stacking energy: -82.786
Base-Backbone interact. energy: -0.094
local terms energy: -90.429572
where:
bonds (distance) C4'-P energy: -17.332
bonds (distance) P-C4' energy: -15.450
flat angles C4'-P-C4' energy: -18.733
flat angles P-C4'-P energy: -11.182
tors. eta vs tors. theta energy: -27.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -256.655977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.655977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.655977 (E_RNA)
where:
Base-Base interactions energy: -169.914
where: short stacking energy: -78.145
Base-Backbone interact. energy: -0.025
local terms energy: -86.716370
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -19.126
flat angles C4'-P-C4' energy: -17.090
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -23.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -248.174508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.174508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.174508 (E_RNA)
where:
Base-Base interactions energy: -166.256
where: short stacking energy: -73.477
Base-Backbone interact. energy: -0.173
local terms energy: -81.745135
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -14.566
flat angles P-C4'-P energy: -11.914
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: 4, replica: 3
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -188.165085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.165085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.165085 (E_RNA)
where:
Base-Base interactions energy: -113.644
where: short stacking energy: -56.535
Base-Backbone interact. energy: -0.107
local terms energy: -74.413926
where:
bonds (distance) C4'-P energy: -17.605
bonds (distance) P-C4' energy: -17.289
flat angles C4'-P-C4' energy: -10.803
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -18.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -139.400857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.400857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.400857 (E_RNA)
where:
Base-Base interactions energy: -82.190
where: short stacking energy: -46.178
Base-Backbone interact. energy: -0.684
local terms energy: -56.526555
where:
bonds (distance) C4'-P energy: -9.044
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -7.887
flat angles P-C4'-P energy: -12.382
tors. eta vs tors. theta energy: -10.722
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: 6, replica: 7
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -117.063316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.063316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.063316 (E_RNA)
where:
Base-Base interactions energy: -56.488
where: short stacking energy: -56.488
Base-Backbone interact. energy: -0.101
local terms energy: -60.473774
where:
bonds (distance) C4'-P energy: -9.574
bonds (distance) P-C4' energy: -11.333
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -7.115
tors. eta vs tors. theta energy: -16.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -94.924839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.924839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.924839 (E_RNA)
where:
Base-Base interactions energy: -43.016
where: short stacking energy: -42.131
Base-Backbone interact. energy: -0.062
local terms energy: -51.846373
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -8.042
flat angles P-C4'-P energy: -13.992
tors. eta vs tors. theta energy: -1.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -102.008866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.008866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.008866 (E_RNA)
where:
Base-Base interactions energy: -38.214
where: short stacking energy: -38.214
Base-Backbone interact. energy: 1.219
local terms energy: -65.013435
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -14.597
flat angles C4'-P-C4' energy: -13.253
flat angles P-C4'-P energy: -9.156
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: 9, replica: 10
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -86.539861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.539861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.539861 (E_RNA)
where:
Base-Base interactions energy: -37.076
where: short stacking energy: -37.076
Base-Backbone interact. energy: -0.087
local terms energy: -49.376974
where:
bonds (distance) C4'-P energy: -12.785
bonds (distance) P-C4' energy: -9.791
flat angles C4'-P-C4' energy: -11.750
flat angles P-C4'-P energy: -9.429
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: 10, replica: 6
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -87.255249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.255249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.255249 (E_RNA)
where:
Base-Base interactions energy: -36.348
where: short stacking energy: -27.481
Base-Backbone interact. energy: -0.072
local terms energy: -50.836026
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -9.482
flat angles P-C4'-P energy: -8.083
tors. eta vs tors. theta energy: -4.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -267.541105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.541105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.541105 (E_RNA)
where:
Base-Base interactions energy: -174.810
where: short stacking energy: -82.148
Base-Backbone interact. energy: -0.039
local terms energy: -92.691977
where:
bonds (distance) C4'-P energy: -18.322
bonds (distance) P-C4' energy: -18.715
flat angles C4'-P-C4' energy: -19.861
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -24.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -264.139681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.139681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.139681 (E_RNA)
where:
Base-Base interactions energy: -173.818
where: short stacking energy: -84.549
Base-Backbone interact. energy: -0.094
local terms energy: -90.227514
where:
bonds (distance) C4'-P energy: -18.838
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -17.556
flat angles P-C4'-P energy: -12.307
tors. eta vs tors. theta energy: -25.789
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: 2
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -253.902170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.902170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.902170 (E_RNA)
where:
Base-Base interactions energy: -167.777
where: short stacking energy: -78.334
Base-Backbone interact. energy: -0.027
local terms energy: -86.098531
where:
bonds (distance) C4'-P energy: -13.505
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -12.724
tors. eta vs tors. theta energy: -26.868
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: 4, replica: 3
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -192.552934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.552934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.552934 (E_RNA)
where:
Base-Base interactions energy: -119.724
where: short stacking energy: -58.077
Base-Backbone interact. energy: -0.613
local terms energy: -72.215916
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -13.108
flat angles C4'-P-C4' energy: -19.933
flat angles P-C4'-P energy: -9.541
tors. eta vs tors. theta energy: -14.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -138.087698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.087698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.087698 (E_RNA)
where:
Base-Base interactions energy: -65.343
where: short stacking energy: -45.095
Base-Backbone interact. energy: -0.150
local terms energy: -72.594460
where:
bonds (distance) C4'-P energy: -18.362
bonds (distance) P-C4' energy: -17.313
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -11.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -99.651943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.651943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.651943 (E_RNA)
where:
Base-Base interactions energy: -34.415
where: short stacking energy: -33.461
Base-Backbone interact. energy: -0.257
local terms energy: -64.979383
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -17.737
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: -3.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -139.783061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.783061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.783061 (E_RNA)
where:
Base-Base interactions energy: -78.803
where: short stacking energy: -44.883
Base-Backbone interact. energy: -0.011
local terms energy: -60.969202
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -11.237
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -8.170
tors. eta vs tors. theta energy: -10.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -97.486972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.486972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.486972 (E_RNA)
where:
Base-Base interactions energy: -33.132
where: short stacking energy: -19.368
Base-Backbone interact. energy: -0.109
local terms energy: -64.245605
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -15.310
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -3.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -89.991761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.991761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.991761 (E_RNA)
where:
Base-Base interactions energy: -34.707
where: short stacking energy: -27.907
Base-Backbone interact. energy: -1.447
local terms energy: -53.836869
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: 0.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -86.318210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.318210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.318210 (E_RNA)
where:
Base-Base interactions energy: -28.120
where: short stacking energy: -25.708
Base-Backbone interact. energy: -0.299
local terms energy: -57.899037
where:
bonds (distance) C4'-P energy: -15.743
bonds (distance) P-C4' energy: -10.510
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -5.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -257.404221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.404221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.404221 (E_RNA)
where:
Base-Base interactions energy: -170.951
where: short stacking energy: -78.277
Base-Backbone interact. energy: -0.284
local terms energy: -86.169186
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -13.677
tors. eta vs tors. theta energy: -22.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -254.277055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.277055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.277055 (E_RNA)
where:
Base-Base interactions energy: -167.985
where: short stacking energy: -80.884
Base-Backbone interact. energy: -0.096
local terms energy: -86.195649
where:
bonds (distance) C4'-P energy: -11.960
bonds (distance) P-C4' energy: -17.519
flat angles C4'-P-C4' energy: -18.029
flat angles P-C4'-P energy: -15.039
tors. eta vs tors. theta energy: -23.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -262.281747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.281747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.281747 (E_RNA)
where:
Base-Base interactions energy: -173.960
where: short stacking energy: -78.213
Base-Backbone interact. energy: -0.081
local terms energy: -88.240361
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -16.144
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -13.637
tors. eta vs tors. theta energy: -26.310
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: 3
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -184.952182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.952182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.952182 (E_RNA)
where:
Base-Base interactions energy: -107.623
where: short stacking energy: -66.041
Base-Backbone interact. energy: -0.102
local terms energy: -77.227309
where:
bonds (distance) C4'-P energy: -12.953
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -11.859
tors. eta vs tors. theta energy: -18.415
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: 5, replica: 1
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -144.597352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.597352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.597352 (E_RNA)
where:
Base-Base interactions energy: -81.566
where: short stacking energy: -52.340
Base-Backbone interact. energy: -0.629
local terms energy: -62.401918
where:
bonds (distance) C4'-P energy: -11.179
bonds (distance) P-C4' energy: -18.787
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -6.921
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: 6, replica: 8
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -107.886363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.886363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.886363 (E_RNA)
where:
Base-Base interactions energy: -46.557
where: short stacking energy: -47.257
Base-Backbone interact. energy: -0.235
local terms energy: -61.094497
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -19.724
flat angles C4'-P-C4' energy: -8.851
flat angles P-C4'-P energy: -12.439
tors. eta vs tors. theta energy: -6.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -122.039448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.039448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.039448 (E_RNA)
where:
Base-Base interactions energy: -64.986
where: short stacking energy: -37.901
Base-Backbone interact. energy: -0.164
local terms energy: -56.889484
where:
bonds (distance) C4'-P energy: -16.582
bonds (distance) P-C4' energy: -12.499
flat angles C4'-P-C4' energy: -16.186
flat angles P-C4'-P energy: -3.500
tors. eta vs tors. theta energy: -8.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -83.111754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.111754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.111754 (E_RNA)
where:
Base-Base interactions energy: -32.363
where: short stacking energy: -25.506
Base-Backbone interact. energy: -0.083
local terms energy: -50.665849
where:
bonds (distance) C4'-P energy: -17.259
bonds (distance) P-C4' energy: -8.137
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: -5.700
tors. eta vs tors. theta energy: -2.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -85.987013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.987013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.987013 (E_RNA)
where:
Base-Base interactions energy: -39.826
where: short stacking energy: -20.577
Base-Backbone interact. energy: 1.863
local terms energy: -48.023496
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -5.081
tors. eta vs tors. theta energy: -3.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -98.978604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.978604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.978604 (E_RNA)
where:
Base-Base interactions energy: -37.713
where: short stacking energy: -31.676
Base-Backbone interact. energy: -0.041
local terms energy: -61.224575
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -18.767
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -7.544
tors. eta vs tors. theta energy: -6.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -258.877643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.877643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.877643 (E_RNA)
where:
Base-Base interactions energy: -169.902
where: short stacking energy: -82.019
Base-Backbone interact. energy: -0.093
local terms energy: -88.882136
where:
bonds (distance) C4'-P energy: -16.561
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -19.999
flat angles P-C4'-P energy: -11.093
tors. eta vs tors. theta energy: -23.705
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: 5
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -255.727223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.727223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.727223 (E_RNA)
where:
Base-Base interactions energy: -171.299
where: short stacking energy: -81.561
Base-Backbone interact. energy: 0.039
local terms energy: -84.467424
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -12.572
flat angles C4'-P-C4' energy: -17.406
flat angles P-C4'-P energy: -12.940
tors. eta vs tors. theta energy: -25.297
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: 3, replica: 2
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -251.254534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.254534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.254534 (E_RNA)
where:
Base-Base interactions energy: -165.552
where: short stacking energy: -80.615
Base-Backbone interact. energy: -0.005
local terms energy: -85.697783
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -19.122
flat angles C4'-P-C4' energy: -17.760
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -24.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -194.029947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.029947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.029947 (E_RNA)
where:
Base-Base interactions energy: -119.811
where: short stacking energy: -54.127
Base-Backbone interact. energy: -0.112
local terms energy: -74.106330
where:
bonds (distance) C4'-P energy: -19.902
bonds (distance) P-C4' energy: -18.496
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -4.602
tors. eta vs tors. theta energy: -16.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -163.964043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.964043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.964043 (E_RNA)
where:
Base-Base interactions energy: -94.578
where: short stacking energy: -53.992
Base-Backbone interact. energy: 0.072
local terms energy: -69.458510
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -10.736
flat angles P-C4'-P energy: -11.628
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: 6, replica: 7
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -141.875566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.875566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.875566 (E_RNA)
where:
Base-Base interactions energy: -78.520
where: short stacking energy: -46.893
Base-Backbone interact. energy: -0.285
local terms energy: -63.069911
where:
bonds (distance) C4'-P energy: -13.911
bonds (distance) P-C4' energy: -12.934
flat angles C4'-P-C4' energy: -17.001
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -9.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -99.447739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.447739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.447739 (E_RNA)
where:
Base-Base interactions energy: -43.353
where: short stacking energy: -43.353
Base-Backbone interact. energy: -0.127
local terms energy: -55.968132
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -15.733
flat angles C4'-P-C4' energy: -11.504
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -7.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -95.278794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.278794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.278794 (E_RNA)
where:
Base-Base interactions energy: -35.184
where: short stacking energy: -32.862
Base-Backbone interact. energy: -0.009
local terms energy: -60.085787
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -16.689
flat angles C4'-P-C4' energy: -15.340
flat angles P-C4'-P energy: -5.445
tors. eta vs tors. theta energy: -9.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -83.125540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.125540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.125540 (E_RNA)
where:
Base-Base interactions energy: -24.981
where: short stacking energy: -16.150
Base-Backbone interact. energy: 0.959
local terms energy: -59.103442
where:
bonds (distance) C4'-P energy: -17.833
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -17.227
flat angles P-C4'-P energy: -7.867
tors. eta vs tors. theta energy: -1.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -91.290966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.290966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.290966 (E_RNA)
where:
Base-Base interactions energy: -33.325
where: short stacking energy: -33.325
Base-Backbone interact. energy: 0.386
local terms energy: -58.352361
where:
bonds (distance) C4'-P energy: -18.416
bonds (distance) P-C4' energy: -15.446
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -7.208
tors. eta vs tors. theta energy: -1.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -264.686993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.686993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.686993 (E_RNA)
where:
Base-Base interactions energy: -175.142
where: short stacking energy: -83.068
Base-Backbone interact. energy: -0.055
local terms energy: -89.489934
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -19.109
flat angles C4'-P-C4' energy: -18.256
flat angles P-C4'-P energy: -12.827
tors. eta vs tors. theta energy: -26.681
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: 5
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -257.688931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.688931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.688931 (E_RNA)
where:
Base-Base interactions energy: -168.461
where: short stacking energy: -73.596
Base-Backbone interact. energy: -0.006
local terms energy: -89.221363
where:
bonds (distance) C4'-P energy: -17.639
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -17.455
flat angles P-C4'-P energy: -13.549
tors. eta vs tors. theta energy: -23.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -260.908454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.908454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.908454 (E_RNA)
where:
Base-Base interactions energy: -173.700
where: short stacking energy: -82.168
Base-Backbone interact. energy: -0.428
local terms energy: -86.779897
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -16.799
flat angles C4'-P-C4' energy: -19.696
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -25.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -151.968773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.968773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.968773 (E_RNA)
where:
Base-Base interactions energy: -85.013
where: short stacking energy: -49.905
Base-Backbone interact. energy: -0.045
local terms energy: -66.911210
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -16.641
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: -10.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -122.029273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.029273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.029273 (E_RNA)
where:
Base-Base interactions energy: -54.756
where: short stacking energy: -39.155
Base-Backbone interact. energy: -0.075
local terms energy: -67.198269
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -16.905
flat angles C4'-P-C4' energy: -17.850
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: -7.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -135.561083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.561083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.561083 (E_RNA)
where:
Base-Base interactions energy: -77.021
where: short stacking energy: -40.590
Base-Backbone interact. energy: -0.051
local terms energy: -58.488967
where:
bonds (distance) C4'-P energy: -10.923
bonds (distance) P-C4' energy: -17.311
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -6.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -98.531334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.531334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.531334 (E_RNA)
where:
Base-Base interactions energy: -39.657
where: short stacking energy: -36.930
Base-Backbone interact. energy: -0.204
local terms energy: -58.670268
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -19.132
flat angles C4'-P-C4' energy: -7.682
flat angles P-C4'-P energy: -13.201
tors. eta vs tors. theta energy: -2.268
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: 30
Temperature: 1.250000
Total energy: -86.974613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.974613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.974613 (E_RNA)
where:
Base-Base interactions energy: -37.402
where: short stacking energy: -27.833
Base-Backbone interact. energy: -0.120
local terms energy: -49.452540
where:
bonds (distance) C4'-P energy: -10.024
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -11.757
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: 1.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -100.818783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.818783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.818783 (E_RNA)
where:
Base-Base interactions energy: -39.358
where: short stacking energy: -39.358
Base-Backbone interact. energy: -0.061
local terms energy: -61.399591
where:
bonds (distance) C4'-P energy: -18.686
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -6.285
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: 9
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -97.434834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.434834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.434834 (E_RNA)
where:
Base-Base interactions energy: -35.429
where: short stacking energy: -35.785
Base-Backbone interact. energy: -2.517
local terms energy: -59.488535
where:
bonds (distance) C4'-P energy: -18.845
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -8.554
flat angles P-C4'-P energy: -8.178
tors. eta vs tors. theta energy: -7.280
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: 31
Temperature: 0.900000
Total energy: -266.613341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.613341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.613341 (E_RNA)
where:
Base-Base interactions energy: -174.588
where: short stacking energy: -84.059
Base-Backbone interact. energy: -0.068
local terms energy: -91.957923
where:
bonds (distance) C4'-P energy: -18.567
bonds (distance) P-C4' energy: -18.953
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -28.420
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: 2, replica: 5
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -263.357498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.357498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.357498 (E_RNA)
where:
Base-Base interactions energy: -179.443
where: short stacking energy: -83.879
Base-Backbone interact. energy: -0.033
local terms energy: -83.881341
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -24.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -239.429823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.429823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.429823 (E_RNA)
where:
Base-Base interactions energy: -155.321
where: short stacking energy: -74.281
Base-Backbone interact. energy: -0.022
local terms energy: -84.086260
where:
bonds (distance) C4'-P energy: -20.088
bonds (distance) P-C4' energy: -18.868
flat angles C4'-P-C4' energy: -11.904
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: -21.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -161.785049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.785049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.785049 (E_RNA)
where:
Base-Base interactions energy: -92.235
where: short stacking energy: -50.027
Base-Backbone interact. energy: -0.124
local terms energy: -69.425651
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -17.049
flat angles C4'-P-C4' energy: -20.264
flat angles P-C4'-P energy: -7.207
tors. eta vs tors. theta energy: -9.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -146.124877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.124877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.124877 (E_RNA)
where:
Base-Base interactions energy: -77.019
where: short stacking energy: -53.257
Base-Backbone interact. energy: -0.254
local terms energy: -68.851696
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -17.370
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -11.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -130.545001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.545001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.545001 (E_RNA)
where:
Base-Base interactions energy: -72.565
where: short stacking energy: -42.948
Base-Backbone interact. energy: -0.191
local terms energy: -57.788768
where:
bonds (distance) C4'-P energy: -16.812
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -5.145
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: 7, replica: 8
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -97.332289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.332289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.332289 (E_RNA)
where:
Base-Base interactions energy: -44.736
where: short stacking energy: -34.451
Base-Backbone interact. energy: -0.777
local terms energy: -51.820075
where:
bonds (distance) C4'-P energy: -18.399
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -6.586
flat angles P-C4'-P energy: -7.081
tors. eta vs tors. theta energy: -2.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -100.282287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.282287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.282287 (E_RNA)
where:
Base-Base interactions energy: -34.002
where: short stacking energy: -30.657
Base-Backbone interact. energy: -0.072
local terms energy: -66.208922
where:
bonds (distance) C4'-P energy: -16.849
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -8.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -92.151525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.151525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.151525 (E_RNA)
where:
Base-Base interactions energy: -33.715
where: short stacking energy: -26.647
Base-Backbone interact. energy: 2.108
local terms energy: -60.544181
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -14.354
flat angles C4'-P-C4' energy: -16.944
flat angles P-C4'-P energy: -10.073
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: 9
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -82.755946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.755946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.755946 (E_RNA)
where:
Base-Base interactions energy: -23.827
where: short stacking energy: -21.570
Base-Backbone interact. energy: -0.426
local terms energy: -58.503405
where:
bonds (distance) C4'-P energy: -16.197
bonds (distance) P-C4' energy: -15.341
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -11.898
tors. eta vs tors. theta energy: 1.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -261.462586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.462586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.462586 (E_RNA)
where:
Base-Base interactions energy: -168.379
where: short stacking energy: -79.095
Base-Backbone interact. energy: -0.016
local terms energy: -93.068025
where:
bonds (distance) C4'-P energy: -16.810
bonds (distance) P-C4' energy: -19.218
flat angles C4'-P-C4' energy: -17.785
flat angles P-C4'-P energy: -12.193
tors. eta vs tors. theta energy: -27.062
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: 2, replica: 4
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -245.936334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.936334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.936334 (E_RNA)
where:
Base-Base interactions energy: -170.348
where: short stacking energy: -80.506
Base-Backbone interact. energy: 0.010
local terms energy: -75.598712
where:
bonds (distance) C4'-P energy: -11.142
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -17.570
flat angles P-C4'-P energy: -11.885
tors. eta vs tors. theta energy: -21.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -236.109722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.109722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.109722 (E_RNA)
where:
Base-Base interactions energy: -155.306
where: short stacking energy: -75.728
Base-Backbone interact. energy: 0.489
local terms energy: -81.292818
where:
bonds (distance) C4'-P energy: -8.560
bonds (distance) P-C4' energy: -20.480
flat angles C4'-P-C4' energy: -17.188
flat angles P-C4'-P energy: -12.999
tors. eta vs tors. theta energy: -22.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -174.381537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.381537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.381537 (E_RNA)
where:
Base-Base interactions energy: -101.811
where: short stacking energy: -46.939
Base-Backbone interact. energy: -0.160
local terms energy: -72.410647
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -14.260
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: 5, replica: 7
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -105.460264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.460264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.460264 (E_RNA)
where:
Base-Base interactions energy: -43.862
where: short stacking energy: -29.283
Base-Backbone interact. energy: -0.185
local terms energy: -61.413622
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -18.603
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -12.814
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: 6, replica: 1
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -112.667417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.667417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.667417 (E_RNA)
where:
Base-Base interactions energy: -42.845
where: short stacking energy: -42.845
Base-Backbone interact. energy: -0.283
local terms energy: -69.539453
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -17.621
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -11.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -107.482450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.482450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.482450 (E_RNA)
where:
Base-Base interactions energy: -43.527
where: short stacking energy: -43.527
Base-Backbone interact. energy: -0.183
local terms energy: -63.772760
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -9.531
flat angles C4'-P-C4' energy: -16.189
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -13.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -95.911917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.911917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.911917 (E_RNA)
where:
Base-Base interactions energy: -35.274
where: short stacking energy: -34.369
Base-Backbone interact. energy: -0.427
local terms energy: -60.210352
where:
bonds (distance) C4'-P energy: -12.458
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -9.755
flat angles P-C4'-P energy: -13.666
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: 9, replica: 9
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -101.119135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.119135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.119135 (E_RNA)
where:
Base-Base interactions energy: -53.132
where: short stacking energy: -27.506
Base-Backbone interact. energy: -0.172
local terms energy: -47.814834
where:
bonds (distance) C4'-P energy: -17.899
bonds (distance) P-C4' energy: -8.996
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -5.853
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: 32
Temperature: 1.350000
Total energy: -90.038970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.038970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.038970 (E_RNA)
where:
Base-Base interactions energy: -38.455
where: short stacking energy: -26.667
Base-Backbone interact. energy: -0.186
local terms energy: -51.398665
where:
bonds (distance) C4'-P energy: -17.264
bonds (distance) P-C4' energy: -9.856
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -13.347
tors. eta vs tors. theta energy: 2.781
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: 1, replica: 5
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -269.462660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.462660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.462660 (E_RNA)
where:
Base-Base interactions energy: -173.558
where: short stacking energy: -86.041
Base-Backbone interact. energy: -0.177
local terms energy: -95.727502
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -21.106
flat angles C4'-P-C4' energy: -20.825
flat angles P-C4'-P energy: -13.513
tors. eta vs tors. theta energy: -25.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -253.736065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.736065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.736065 (E_RNA)
where:
Base-Base interactions energy: -163.403
where: short stacking energy: -80.758
Base-Backbone interact. energy: -0.810
local terms energy: -89.522863
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -19.736
flat angles C4'-P-C4' energy: -19.075
flat angles P-C4'-P energy: -11.674
tors. eta vs tors. theta energy: -26.045
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: 3, replica: 4
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -257.215645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.215645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.215645 (E_RNA)
where:
Base-Base interactions energy: -164.229
where: short stacking energy: -79.862
Base-Backbone interact. energy: -0.023
local terms energy: -92.963118
where:
bonds (distance) C4'-P energy: -16.654
bonds (distance) P-C4' energy: -20.481
flat angles C4'-P-C4' energy: -17.809
flat angles P-C4'-P energy: -13.287
tors. eta vs tors. theta energy: -24.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -200.416698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.416698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.416698 (E_RNA)
where:
Base-Base interactions energy: -125.193
where: short stacking energy: -63.513
Base-Backbone interact. energy: -0.114
local terms energy: -75.110350
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -19.957
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -16.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -123.653905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.653905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.653905 (E_RNA)
where:
Base-Base interactions energy: -63.868
where: short stacking energy: -41.770
Base-Backbone interact. energy: -0.281
local terms energy: -59.504632
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -6.370
tors. eta vs tors. theta energy: -7.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -115.113556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.113556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.113556 (E_RNA)
where:
Base-Base interactions energy: -45.200
where: short stacking energy: -45.200
Base-Backbone interact. energy: -0.159
local terms energy: -69.754133
where:
bonds (distance) C4'-P energy: -16.840
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -12.816
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -14.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -96.939770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.939770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.939770 (E_RNA)
where:
Base-Base interactions energy: -38.538
where: short stacking energy: -38.538
Base-Backbone interact. energy: -0.068
local terms energy: -58.333591
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -12.871
flat angles C4'-P-C4' energy: -18.029
flat angles P-C4'-P energy: -7.048
tors. eta vs tors. theta energy: -4.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -88.369484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.369484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.369484 (E_RNA)
where:
Base-Base interactions energy: -41.244
where: short stacking energy: -31.921
Base-Backbone interact. energy: -0.059
local terms energy: -47.066750
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -13.214
flat angles C4'-P-C4' energy: -13.649
flat angles P-C4'-P energy: -7.381
tors. eta vs tors. theta energy: 1.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -95.074493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.074493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.074493 (E_RNA)
where:
Base-Base interactions energy: -32.341
where: short stacking energy: -36.686
Base-Backbone interact. energy: 0.245
local terms energy: -62.978219
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -16.281
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -13.506
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: 10, replica: 10
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -78.326672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.326672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.326672 (E_RNA)
where:
Base-Base interactions energy: -30.938
where: short stacking energy: -21.428
Base-Backbone interact. energy: -0.129
local terms energy: -47.259577
where:
bonds (distance) C4'-P energy: -9.033
bonds (distance) P-C4' energy: -19.337
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -8.222
tors. eta vs tors. theta energy: 4.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -262.602211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.602211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.602211 (E_RNA)
where:
Base-Base interactions energy: -179.678
where: short stacking energy: -85.311
Base-Backbone interact. energy: 0.056
local terms energy: -82.979844
where:
bonds (distance) C4'-P energy: -17.478
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: -25.725
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: 2
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -256.665674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.665674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.665674 (E_RNA)
where:
Base-Base interactions energy: -169.662
where: short stacking energy: -78.357
Base-Backbone interact. energy: -0.031
local terms energy: -86.972493
where:
bonds (distance) C4'-P energy: -18.782
bonds (distance) P-C4' energy: -16.891
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -12.827
tors. eta vs tors. theta energy: -23.683
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: 34
Temperature: 1.000000
Total energy: -253.632120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.632120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.632120 (E_RNA)
where:
Base-Base interactions energy: -162.263
where: short stacking energy: -72.742
Base-Backbone interact. energy: -0.587
local terms energy: -90.782078
where:
bonds (distance) C4'-P energy: -17.210
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -19.854
flat angles P-C4'-P energy: -13.556
tors. eta vs tors. theta energy: -24.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -206.530209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.530209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.530209 (E_RNA)
where:
Base-Base interactions energy: -137.205
where: short stacking energy: -56.883
Base-Backbone interact. energy: -0.642
local terms energy: -68.682804
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -9.238
tors. eta vs tors. theta energy: -10.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -104.872948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.872948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.872948 (E_RNA)
where:
Base-Base interactions energy: -49.637
where: short stacking energy: -37.514
Base-Backbone interact. energy: -0.361
local terms energy: -54.875256
where:
bonds (distance) C4'-P energy: -6.867
bonds (distance) P-C4' energy: -19.303
flat angles C4'-P-C4' energy: -18.520
flat angles P-C4'-P energy: -5.866
tors. eta vs tors. theta energy: -4.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -109.194283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.194283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.194283 (E_RNA)
where:
Base-Base interactions energy: -37.760
where: short stacking energy: -31.774
Base-Backbone interact. energy: -0.249
local terms energy: -71.185622
where:
bonds (distance) C4'-P energy: -16.256
bonds (distance) P-C4' energy: -19.160
flat angles C4'-P-C4' energy: -19.035
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -7.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -94.313681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.313681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.313681 (E_RNA)
where:
Base-Base interactions energy: -35.462
where: short stacking energy: -25.935
Base-Backbone interact. energy: -0.516
local terms energy: -58.335416
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -17.741
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -0.656
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: 8, replica: 1
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -96.271471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.271471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.271471 (E_RNA)
where:
Base-Base interactions energy: -35.139
where: short stacking energy: -27.322
Base-Backbone interact. energy: -0.836
local terms energy: -60.296925
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -15.515
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -4.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -85.239691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.239691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.239691 (E_RNA)
where:
Base-Base interactions energy: -33.648
where: short stacking energy: -32.521
Base-Backbone interact. energy: -0.131
local terms energy: -51.460247
where:
bonds (distance) C4'-P energy: -12.899
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -6.673
tors. eta vs tors. theta energy: -5.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -90.654016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.654016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.654016 (E_RNA)
where:
Base-Base interactions energy: -39.863
where: short stacking energy: -26.135
Base-Backbone interact. energy: -0.170
local terms energy: -50.620966
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -11.755
flat angles P-C4'-P energy: -3.927
tors. eta vs tors. theta energy: -5.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -260.185078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.185078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.185078 (E_RNA)
where:
Base-Base interactions energy: -172.297
where: short stacking energy: -79.512
Base-Backbone interact. energy: 0.481
local terms energy: -88.368293
where:
bonds (distance) C4'-P energy: -15.901
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -15.558
tors. eta vs tors. theta energy: -26.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -257.919344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.919344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.919344 (E_RNA)
where:
Base-Base interactions energy: -168.943
where: short stacking energy: -75.732
Base-Backbone interact. energy: -0.003
local terms energy: -88.972992
where:
bonds (distance) C4'-P energy: -17.663
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -15.559
tors. eta vs tors. theta energy: -22.882
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: 2
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -256.824459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.824459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.824459 (E_RNA)
where:
Base-Base interactions energy: -167.255
where: short stacking energy: -82.499
Base-Backbone interact. energy: -0.662
local terms energy: -88.907561
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -17.685
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -27.052
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: 3
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -199.119087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.119087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.119087 (E_RNA)
where:
Base-Base interactions energy: -133.246
where: short stacking energy: -53.897
Base-Backbone interact. energy: -0.471
local terms energy: -65.401774
where:
bonds (distance) C4'-P energy: -13.965
bonds (distance) P-C4' energy: -18.301
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -7.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -115.060685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.060685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.060685 (E_RNA)
where:
Base-Base interactions energy: -50.695
where: short stacking energy: -44.952
Base-Backbone interact. energy: -0.267
local terms energy: -64.098942
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -8.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -108.431883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.431883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.431883 (E_RNA)
where:
Base-Base interactions energy: -38.506
where: short stacking energy: -35.970
Base-Backbone interact. energy: 1.129
local terms energy: -71.054674
where:
bonds (distance) C4'-P energy: -19.009
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -8.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -97.644963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.644963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.644963 (E_RNA)
where:
Base-Base interactions energy: -39.406
where: short stacking energy: -30.190
Base-Backbone interact. energy: 0.116
local terms energy: -58.354757
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -1.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -100.169783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.169783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.169783 (E_RNA)
where:
Base-Base interactions energy: -30.792
where: short stacking energy: -28.679
Base-Backbone interact. energy: -0.222
local terms energy: -69.155595
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -16.930
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: -12.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -85.724098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.724098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.724098 (E_RNA)
where:
Base-Base interactions energy: -22.648
where: short stacking energy: -22.648
Base-Backbone interact. energy: 0.436
local terms energy: -63.512569
where:
bonds (distance) C4'-P energy: -18.603
bonds (distance) P-C4' energy: -18.114
flat angles C4'-P-C4' energy: -16.989
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: 1.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -88.625025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.625025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.625025 (E_RNA)
where:
Base-Base interactions energy: -35.699
where: short stacking energy: -35.699
Base-Backbone interact. energy: -0.025
local terms energy: -52.901031
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -16.497
flat angles C4'-P-C4' energy: -13.075
flat angles P-C4'-P energy: -4.444
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: 36
Temperature: 0.900000
Total energy: -259.880251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.880251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.880251 (E_RNA)
where:
Base-Base interactions energy: -175.957
where: short stacking energy: -78.640
Base-Backbone interact. energy: -0.549
local terms energy: -83.374450
where:
bonds (distance) C4'-P energy: -12.598
bonds (distance) P-C4' energy: -20.405
flat angles C4'-P-C4' energy: -18.225
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: -22.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -258.991036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.991036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.991036 (E_RNA)
where:
Base-Base interactions energy: -172.486
where: short stacking energy: -82.304
Base-Backbone interact. energy: -0.020
local terms energy: -86.484673
where:
bonds (distance) C4'-P energy: -16.595
bonds (distance) P-C4' energy: -18.372
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -26.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -250.901050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.901050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.901050 (E_RNA)
where:
Base-Base interactions energy: -171.473
where: short stacking energy: -86.777
Base-Backbone interact. energy: -0.076
local terms energy: -79.351955
where:
bonds (distance) C4'-P energy: -18.674
bonds (distance) P-C4' energy: -12.774
flat angles C4'-P-C4' energy: -19.762
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -20.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -204.570135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.570135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.570135 (E_RNA)
where:
Base-Base interactions energy: -125.189
where: short stacking energy: -67.394
Base-Backbone interact. energy: 0.352
local terms energy: -79.732595
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -15.897
flat angles C4'-P-C4' energy: -19.483
flat angles P-C4'-P energy: -12.834
tors. eta vs tors. theta energy: -19.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -138.939317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.939317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.939317 (E_RNA)
where:
Base-Base interactions energy: -73.874
where: short stacking energy: -52.871
Base-Backbone interact. energy: -0.491
local terms energy: -64.574016
where:
bonds (distance) C4'-P energy: -10.601
bonds (distance) P-C4' energy: -18.795
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: -12.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -101.878429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.878429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.878429 (E_RNA)
where:
Base-Base interactions energy: -36.983
where: short stacking energy: -32.341
Base-Backbone interact. energy: -0.108
local terms energy: -64.787052
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -17.207
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -13.448
tors. eta vs tors. theta energy: -6.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -94.267439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.267439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.267439 (E_RNA)
where:
Base-Base interactions energy: -45.161
where: short stacking energy: -14.372
Base-Backbone interact. energy: -0.348
local terms energy: -48.758340
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: 3.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -92.540980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.540980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.540980 (E_RNA)
where:
Base-Base interactions energy: -29.555
where: short stacking energy: -26.022
Base-Backbone interact. energy: -0.192
local terms energy: -62.793901
where:
bonds (distance) C4'-P energy: -17.916
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -2.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -99.608057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.608057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.608057 (E_RNA)
where:
Base-Base interactions energy: -34.297
where: short stacking energy: -27.203
Base-Backbone interact. energy: -0.455
local terms energy: -64.856319
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -8.127
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: 10, replica: 10
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -79.246644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.246644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.246644 (E_RNA)
where:
Base-Base interactions energy: -22.622
where: short stacking energy: -16.512
Base-Backbone interact. energy: -1.159
local terms energy: -55.465258
where:
bonds (distance) C4'-P energy: -15.384
bonds (distance) P-C4' energy: -19.511
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -7.296
tors. eta vs tors. theta energy: 0.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -263.652982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.652982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.652982 (E_RNA)
where:
Base-Base interactions energy: -173.727
where: short stacking energy: -79.306
Base-Backbone interact. energy: -0.102
local terms energy: -89.824073
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -17.408
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -15.027
tors. eta vs tors. theta energy: -25.014
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: 5
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -255.321865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.321865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.321865 (E_RNA)
where:
Base-Base interactions energy: -170.495
where: short stacking energy: -83.548
Base-Backbone interact. energy: -0.003
local terms energy: -84.824212
where:
bonds (distance) C4'-P energy: -18.747
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -24.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -245.552981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.552981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.552981 (E_RNA)
where:
Base-Base interactions energy: -158.711
where: short stacking energy: -73.615
Base-Backbone interact. energy: -0.094
local terms energy: -86.748113
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -19.718
flat angles C4'-P-C4' energy: -17.508
flat angles P-C4'-P energy: -14.344
tors. eta vs tors. theta energy: -21.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -188.161748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.161748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.161748 (E_RNA)
where:
Base-Base interactions energy: -120.340
where: short stacking energy: -58.717
Base-Backbone interact. energy: -0.015
local terms energy: -67.807047
where:
bonds (distance) C4'-P energy: -15.549
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -8.383
tors. eta vs tors. theta energy: -15.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -103.205421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.205421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.205421 (E_RNA)
where:
Base-Base interactions energy: -41.184
where: short stacking energy: -40.689
Base-Backbone interact. energy: -0.147
local terms energy: -61.875112
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -15.419
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: 6, replica: 7
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -111.883485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.883485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.883485 (E_RNA)
where:
Base-Base interactions energy: -49.609
where: short stacking energy: -45.497
Base-Backbone interact. energy: -0.015
local terms energy: -62.260141
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -8.483
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: 7, replica: 1
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -96.512715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.512715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.512715 (E_RNA)
where:
Base-Base interactions energy: -36.410
where: short stacking energy: -27.133
Base-Backbone interact. energy: 1.283
local terms energy: -61.385244
where:
bonds (distance) C4'-P energy: -17.862
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -12.446
flat angles P-C4'-P energy: -8.702
tors. eta vs tors. theta energy: -7.718
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: 8
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -134.623671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.623671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.623671 (E_RNA)
where:
Base-Base interactions energy: -68.138
where: short stacking energy: -39.366
Base-Backbone interact. energy: -0.067
local terms energy: -66.418557
where:
bonds (distance) C4'-P energy: -17.849
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -7.097
tors. eta vs tors. theta energy: -7.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -107.191515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.191515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.191515 (E_RNA)
where:
Base-Base interactions energy: -44.744
where: short stacking energy: -44.744
Base-Backbone interact. energy: 0.012
local terms energy: -62.459929
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -19.317
flat angles C4'-P-C4' energy: -9.995
flat angles P-C4'-P energy: -6.759
tors. eta vs tors. theta energy: -9.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -87.959917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.959917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.959917 (E_RNA)
where:
Base-Base interactions energy: -34.959
where: short stacking energy: -33.103
Base-Backbone interact. energy: -0.431
local terms energy: -52.570174
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -11.657
flat angles P-C4'-P energy: -4.601
tors. eta vs tors. theta energy: -7.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -269.451202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.451202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.451202 (E_RNA)
where:
Base-Base interactions energy: -182.006
where: short stacking energy: -85.687
Base-Backbone interact. energy: -0.008
local terms energy: -87.436480
where:
bonds (distance) C4'-P energy: -15.737
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -28.053
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: 5
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -246.133948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.133948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.133948 (E_RNA)
where:
Base-Base interactions energy: -161.594
where: short stacking energy: -82.436
Base-Backbone interact. energy: -0.010
local terms energy: -84.530146
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -20.503
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -19.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -250.509527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.509527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.509527 (E_RNA)
where:
Base-Base interactions energy: -168.639
where: short stacking energy: -80.038
Base-Backbone interact. energy: -0.006
local terms energy: -81.864528
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -16.190
flat angles C4'-P-C4' energy: -19.737
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -21.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -209.387631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.387631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.387631 (E_RNA)
where:
Base-Base interactions energy: -133.030
where: short stacking energy: -65.327
Base-Backbone interact. energy: -0.022
local terms energy: -76.335600
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -16.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -108.979947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.979947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.979947 (E_RNA)
where:
Base-Base interactions energy: -55.081
where: short stacking energy: -25.813
Base-Backbone interact. energy: -0.200
local terms energy: -53.698923
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -17.437
flat angles C4'-P-C4' energy: -12.613
flat angles P-C4'-P energy: -6.765
tors. eta vs tors. theta energy: -1.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -107.387990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.387990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.387990 (E_RNA)
where:
Base-Base interactions energy: -39.730
where: short stacking energy: -38.527
Base-Backbone interact. energy: -0.052
local terms energy: -67.605830
where:
bonds (distance) C4'-P energy: -20.785
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -13.691
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -7.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -108.923778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.923778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.923778 (E_RNA)
where:
Base-Base interactions energy: -55.680
where: short stacking energy: -23.992
Base-Backbone interact. energy: -0.226
local terms energy: -53.018226
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -12.338
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -0.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -114.158317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.158317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.158317 (E_RNA)
where:
Base-Base interactions energy: -56.260
where: short stacking energy: -26.305
Base-Backbone interact. energy: -0.079
local terms energy: -57.818827
where:
bonds (distance) C4'-P energy: -14.498
bonds (distance) P-C4' energy: -19.574
flat angles C4'-P-C4' energy: -10.502
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -2.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -105.239424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.239424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.239424 (E_RNA)
where:
Base-Base interactions energy: -52.982
where: short stacking energy: -27.689
Base-Backbone interact. energy: -0.292
local terms energy: -51.965022
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -8.385
flat angles P-C4'-P energy: -8.468
tors. eta vs tors. theta energy: -4.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -80.018081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.018081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.018081 (E_RNA)
where:
Base-Base interactions energy: -28.293
where: short stacking energy: -28.293
Base-Backbone interact. energy: -0.226
local terms energy: -51.499097
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: -0.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -259.964956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.964956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.964956 (E_RNA)
where:
Base-Base interactions energy: -173.967
where: short stacking energy: -80.023
Base-Backbone interact. energy: 0.110
local terms energy: -86.107729
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -26.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -257.999437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.999437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.999437 (E_RNA)
where:
Base-Base interactions energy: -169.869
where: short stacking energy: -76.337
Base-Backbone interact. energy: -0.002
local terms energy: -88.128482
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -18.497
flat angles C4'-P-C4' energy: -17.385
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -25.069
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: 5
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -241.213929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.213929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.213929 (E_RNA)
where:
Base-Base interactions energy: -153.579
where: short stacking energy: -69.202
Base-Backbone interact. energy: 1.160
local terms energy: -88.794465
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -16.874
flat angles C4'-P-C4' energy: -20.105
flat angles P-C4'-P energy: -13.546
tors. eta vs tors. theta energy: -24.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -217.446272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.446272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.446272 (E_RNA)
where:
Base-Base interactions energy: -144.786
where: short stacking energy: -69.752
Base-Backbone interact. energy: -0.102
local terms energy: -72.557639
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -21.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -114.214010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.214010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.214010 (E_RNA)
where:
Base-Base interactions energy: -54.556
where: short stacking energy: -38.183
Base-Backbone interact. energy: -0.557
local terms energy: -59.100780
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -7.548
tors. eta vs tors. theta energy: -4.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -101.099405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.099405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.099405 (E_RNA)
where:
Base-Base interactions energy: -38.323
where: short stacking energy: -38.323
Base-Backbone interact. energy: -0.088
local terms energy: -62.688190
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -17.146
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -14.505
tors. eta vs tors. theta energy: -4.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -117.035379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.035379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.035379 (E_RNA)
where:
Base-Base interactions energy: -67.331
where: short stacking energy: -38.407
Base-Backbone interact. energy: -0.272
local terms energy: -49.431930
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -9.762
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -7.052
tors. eta vs tors. theta energy: -5.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -97.582888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.582888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.582888 (E_RNA)
where:
Base-Base interactions energy: -46.437
where: short stacking energy: -18.992
Base-Backbone interact. energy: -0.312
local terms energy: -50.833272
where:
bonds (distance) C4'-P energy: -17.845
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -9.889
flat angles P-C4'-P energy: -5.682
tors. eta vs tors. theta energy: -1.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -86.273669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.273669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.273669 (E_RNA)
where:
Base-Base interactions energy: -33.710
where: short stacking energy: -33.710
Base-Backbone interact. energy: -0.330
local terms energy: -52.233457
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -4.002
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: 9
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -89.040125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.040125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.040125 (E_RNA)
where:
Base-Base interactions energy: -32.912
where: short stacking energy: -24.492
Base-Backbone interact. energy: -0.180
local terms energy: -55.948635
where:
bonds (distance) C4'-P energy: -14.614
bonds (distance) P-C4' energy: -14.150
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: -3.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -262.873981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.873981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.873981 (E_RNA)
where:
Base-Base interactions energy: -171.696
where: short stacking energy: -83.227
Base-Backbone interact. energy: -0.321
local terms energy: -90.857517
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -18.678
flat angles C4'-P-C4' energy: -18.578
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -27.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -261.148499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.148499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.148499 (E_RNA)
where:
Base-Base interactions energy: -164.613
where: short stacking energy: -79.773
Base-Backbone interact. energy: -0.056
local terms energy: -96.480133
where:
bonds (distance) C4'-P energy: -17.664
bonds (distance) P-C4' energy: -18.819
flat angles C4'-P-C4' energy: -17.842
flat angles P-C4'-P energy: -15.421
tors. eta vs tors. theta energy: -26.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -257.858248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.858248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.858248 (E_RNA)
where:
Base-Base interactions energy: -174.321
where: short stacking energy: -85.843
Base-Backbone interact. energy: -0.008
local terms energy: -83.528780
where:
bonds (distance) C4'-P energy: -17.631
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -16.895
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -24.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -206.182222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.182222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.182222 (E_RNA)
where:
Base-Base interactions energy: -138.687
where: short stacking energy: -66.081
Base-Backbone interact. energy: -0.443
local terms energy: -67.051916
where:
bonds (distance) C4'-P energy: -16.536
bonds (distance) P-C4' energy: -9.018
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -9.749
tors. eta vs tors. theta energy: -15.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -122.440685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.440685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.440685 (E_RNA)
where:
Base-Base interactions energy: -58.495
where: short stacking energy: -38.291
Base-Backbone interact. energy: -0.249
local terms energy: -63.697003
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -18.114
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -8.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -102.483754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.483754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.483754 (E_RNA)
where:
Base-Base interactions energy: -45.369
where: short stacking energy: -39.289
Base-Backbone interact. energy: -0.006
local terms energy: -57.107945
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -11.359
flat angles P-C4'-P energy: -5.914
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: 7, replica: 1
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -93.976784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.976784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.976784 (E_RNA)
where:
Base-Base interactions energy: -44.404
where: short stacking energy: -34.228
Base-Backbone interact. energy: 1.050
local terms energy: -50.622645
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -10.726
flat angles P-C4'-P energy: -10.716
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: 8, replica: 6
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -101.946768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.946768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.946768 (E_RNA)
where:
Base-Base interactions energy: -45.838
where: short stacking energy: -37.392
Base-Backbone interact. energy: -0.043
local terms energy: -56.065596
where:
bonds (distance) C4'-P energy: -9.979
bonds (distance) P-C4' energy: -15.994
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: -9.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -104.879581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.879581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.879581 (E_RNA)
where:
Base-Base interactions energy: -34.975
where: short stacking energy: -32.120
Base-Backbone interact. energy: -0.192
local terms energy: -69.712679
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -18.280
flat angles C4'-P-C4' energy: -16.065
flat angles P-C4'-P energy: -11.273
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: 10, replica: 10
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -85.467325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.467325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.467325 (E_RNA)
where:
Base-Base interactions energy: -23.854
where: short stacking energy: -22.070
Base-Backbone interact. energy: -0.207
local terms energy: -61.406343
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -11.001
tors. eta vs tors. theta energy: -5.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -258.952578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.952578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.952578 (E_RNA)
where:
Base-Base interactions energy: -174.266
where: short stacking energy: -76.737
Base-Backbone interact. energy: -0.011
local terms energy: -84.675500
where:
bonds (distance) C4'-P energy: -20.421
bonds (distance) P-C4' energy: -11.155
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -25.816
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: 2, replica: 4
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -250.236056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.236056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.236056 (E_RNA)
where:
Base-Base interactions energy: -167.241
where: short stacking energy: -68.437
Base-Backbone interact. energy: 2.489
local terms energy: -85.484349
where:
bonds (distance) C4'-P energy: -15.400
bonds (distance) P-C4' energy: -20.687
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: -21.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -248.957005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.957005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.957005 (E_RNA)
where:
Base-Base interactions energy: -164.402
where: short stacking energy: -72.672
Base-Backbone interact. energy: -0.063
local terms energy: -84.492850
where:
bonds (distance) C4'-P energy: -12.287
bonds (distance) P-C4' energy: -19.684
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -13.118
tors. eta vs tors. theta energy: -24.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -194.448255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.448255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.448255 (E_RNA)
where:
Base-Base interactions energy: -114.944
where: short stacking energy: -67.589
Base-Backbone interact. energy: -0.001
local terms energy: -79.503798
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -9.412
flat angles C4'-P-C4' energy: -17.089
flat angles P-C4'-P energy: -15.338
tors. eta vs tors. theta energy: -23.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -149.465654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.465654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.465654 (E_RNA)
where:
Base-Base interactions energy: -75.013
where: short stacking energy: -59.195
Base-Backbone interact. energy: 0.160
local terms energy: -74.612685
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -18.769
flat angles P-C4'-P energy: -12.165
tors. eta vs tors. theta energy: -13.304
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: 1
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -103.092665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.092665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.092665 (E_RNA)
where:
Base-Base interactions energy: -39.575
where: short stacking energy: -39.575
Base-Backbone interact. energy: 0.601
local terms energy: -64.118419
where:
bonds (distance) C4'-P energy: -11.756
bonds (distance) P-C4' energy: -20.597
flat angles C4'-P-C4' energy: -16.813
flat angles P-C4'-P energy: -8.461
tors. eta vs tors. theta energy: -6.491
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: 41
Temperature: 1.200000
Total energy: -106.620760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.620760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.620760 (E_RNA)
where:
Base-Base interactions energy: -41.344
where: short stacking energy: -41.344
Base-Backbone interact. energy: -0.010
local terms energy: -65.266318
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -11.285
flat angles C4'-P-C4' energy: -16.219
flat angles P-C4'-P energy: -12.209
tors. eta vs tors. theta energy: -10.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -90.310162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.310162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.310162 (E_RNA)
where:
Base-Base interactions energy: -37.459
where: short stacking energy: -37.550
Base-Backbone interact. energy: -0.260
local terms energy: -52.590857
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -1.162
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: 9, replica: 9
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -87.323078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.323078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.323078 (E_RNA)
where:
Base-Base interactions energy: -33.465
where: short stacking energy: -27.222
Base-Backbone interact. energy: -0.865
local terms energy: -52.993358
where:
bonds (distance) C4'-P energy: -17.482
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: 4.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -83.997673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.997673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.997673 (E_RNA)
where:
Base-Base interactions energy: -34.704
where: short stacking energy: -27.360
Base-Backbone interact. energy: -0.448
local terms energy: -48.845411
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -12.420
flat angles P-C4'-P energy: -6.279
tors. eta vs tors. theta energy: -1.297
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: 42
Temperature: 0.900000
Total energy: -260.697927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.697927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.697927 (E_RNA)
where:
Base-Base interactions energy: -166.997
where: short stacking energy: -80.421
Base-Backbone interact. energy: -0.048
local terms energy: -93.653459
where:
bonds (distance) C4'-P energy: -16.247
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -18.856
flat angles P-C4'-P energy: -12.956
tors. eta vs tors. theta energy: -26.966
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: 42
Temperature: 0.950000
Total energy: -259.943724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.943724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.943724 (E_RNA)
where:
Base-Base interactions energy: -166.105
where: short stacking energy: -83.914
Base-Backbone interact. energy: -0.219
local terms energy: -93.620008
where:
bonds (distance) C4'-P energy: -18.685
bonds (distance) P-C4' energy: -18.703
flat angles C4'-P-C4' energy: -18.392
flat angles P-C4'-P energy: -11.286
tors. eta vs tors. theta energy: -26.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -252.669210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.669210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.669210 (E_RNA)
where:
Base-Base interactions energy: -165.435
where: short stacking energy: -76.101
Base-Backbone interact. energy: -0.279
local terms energy: -86.955128
where:
bonds (distance) C4'-P energy: -12.681
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -16.879
flat angles P-C4'-P energy: -16.048
tors. eta vs tors. theta energy: -24.750
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: 3
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -202.039130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.039130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.039130 (E_RNA)
where:
Base-Base interactions energy: -119.637
where: short stacking energy: -55.452
Base-Backbone interact. energy: -0.005
local terms energy: -82.397103
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -16.227
flat angles P-C4'-P energy: -14.635
tors. eta vs tors. theta energy: -19.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -105.348546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.348546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.348546 (E_RNA)
where:
Base-Base interactions energy: -47.806
where: short stacking energy: -43.189
Base-Backbone interact. energy: -0.120
local terms energy: -57.422605
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -5.109
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: 6, replica: 8
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -139.482121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.482121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.482121 (E_RNA)
where:
Base-Base interactions energy: -66.637
where: short stacking energy: -41.618
Base-Backbone interact. energy: -0.290
local terms energy: -72.555461
where:
bonds (distance) C4'-P energy: -19.336
bonds (distance) P-C4' energy: -15.545
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -13.530
tors. eta vs tors. theta energy: -8.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -91.616724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.616724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.616724 (E_RNA)
where:
Base-Base interactions energy: -30.938
where: short stacking energy: -29.862
Base-Backbone interact. energy: -0.371
local terms energy: -60.307721
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -17.537
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -6.284
tors. eta vs tors. theta energy: -2.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -111.852401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.852401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.852401 (E_RNA)
where:
Base-Base interactions energy: -45.525
where: short stacking energy: -35.522
Base-Backbone interact. energy: -0.132
local terms energy: -66.195437
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -19.231
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -8.957
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: 10
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -77.658689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.658689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.658689 (E_RNA)
where:
Base-Base interactions energy: -30.079
where: short stacking energy: -8.233
Base-Backbone interact. energy: -0.876
local terms energy: -46.703624
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -19.532
flat angles C4'-P-C4' energy: -10.821
flat angles P-C4'-P energy: -3.075
tors. eta vs tors. theta energy: 1.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -84.419892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.419892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.419892 (E_RNA)
where:
Base-Base interactions energy: -28.754
where: short stacking energy: -20.198
Base-Backbone interact. energy: 0.058
local terms energy: -55.724305
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -8.960
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: 43
Temperature: 0.900000
Total energy: -263.854850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.854850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.854850 (E_RNA)
where:
Base-Base interactions energy: -174.830
where: short stacking energy: -81.115
Base-Backbone interact. energy: -0.018
local terms energy: -89.006810
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -14.615
tors. eta vs tors. theta energy: -23.864
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: 5
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -251.979293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.979293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.979293 (E_RNA)
where:
Base-Base interactions energy: -167.616
where: short stacking energy: -75.946
Base-Backbone interact. energy: -0.036
local terms energy: -84.328010
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -18.672
flat angles P-C4'-P energy: -11.859
tors. eta vs tors. theta energy: -26.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -246.307034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.307034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.307034 (E_RNA)
where:
Base-Base interactions energy: -161.954
where: short stacking energy: -80.195
Base-Backbone interact. energy: -0.203
local terms energy: -84.150381
where:
bonds (distance) C4'-P energy: -17.961
bonds (distance) P-C4' energy: -11.681
flat angles C4'-P-C4' energy: -17.179
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: -24.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -207.178630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.178630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.178630 (E_RNA)
where:
Base-Base interactions energy: -131.323
where: short stacking energy: -64.712
Base-Backbone interact. energy: 1.743
local terms energy: -77.598773
where:
bonds (distance) C4'-P energy: -13.748
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -19.443
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -16.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -117.534661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.534661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.534661 (E_RNA)
where:
Base-Base interactions energy: -40.371
where: short stacking energy: -38.287
Base-Backbone interact. energy: -0.053
local terms energy: -77.110572
where:
bonds (distance) C4'-P energy: -17.688
bonds (distance) P-C4' energy: -20.230
flat angles C4'-P-C4' energy: -18.274
flat angles P-C4'-P energy: -11.701
tors. eta vs tors. theta energy: -9.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -154.727676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.727676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.727676 (E_RNA)
where:
Base-Base interactions energy: -88.983
where: short stacking energy: -45.994
Base-Backbone interact. energy: -0.400
local terms energy: -65.344350
where:
bonds (distance) C4'-P energy: -9.231
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -13.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -94.146712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.146712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.146712 (E_RNA)
where:
Base-Base interactions energy: -41.612
where: short stacking energy: -32.938
Base-Backbone interact. energy: 1.433
local terms energy: -53.967315
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -11.574
flat angles P-C4'-P energy: -11.719
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: 8, replica: 10
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -91.887576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.887576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.887576 (E_RNA)
where:
Base-Base interactions energy: -33.511
where: short stacking energy: -32.896
Base-Backbone interact. energy: -0.276
local terms energy: -58.100535
where:
bonds (distance) C4'-P energy: -13.579
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -13.904
tors. eta vs tors. theta energy: -1.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -84.099291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.099291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.099291 (E_RNA)
where:
Base-Base interactions energy: -24.279
where: short stacking energy: -24.279
Base-Backbone interact. energy: -0.035
local terms energy: -59.785175
where:
bonds (distance) C4'-P energy: -15.556
bonds (distance) P-C4' energy: -16.271
flat angles C4'-P-C4' energy: -12.459
flat angles P-C4'-P energy: -13.809
tors. eta vs tors. theta energy: -1.691
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: 9
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -88.045175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.045175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.045175 (E_RNA)
where:
Base-Base interactions energy: -24.960
where: short stacking energy: -24.960
Base-Backbone interact. energy: -0.021
local terms energy: -63.064303
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -19.408
flat angles C4'-P-C4' energy: -11.917
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: -3.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -267.989875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.989875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.989875 (E_RNA)
where:
Base-Base interactions energy: -174.553
where: short stacking energy: -89.227
Base-Backbone interact. energy: -0.001
local terms energy: -93.436265
where:
bonds (distance) C4'-P energy: -15.352
bonds (distance) P-C4' energy: -16.959
flat angles C4'-P-C4' energy: -19.754
flat angles P-C4'-P energy: -14.433
tors. eta vs tors. theta energy: -26.938
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: 5
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -261.174839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.174839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.174839 (E_RNA)
where:
Base-Base interactions energy: -164.334
where: short stacking energy: -77.255
Base-Backbone interact. energy: -0.011
local terms energy: -96.829514
where:
bonds (distance) C4'-P energy: -20.500
bonds (distance) P-C4' energy: -20.430
flat angles C4'-P-C4' energy: -17.951
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -26.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -244.115506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.115506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.115506 (E_RNA)
where:
Base-Base interactions energy: -163.627
where: short stacking energy: -75.359
Base-Backbone interact. energy: -0.012
local terms energy: -80.476947
where:
bonds (distance) C4'-P energy: -11.816
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -17.449
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -25.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -202.552776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.552776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.552776 (E_RNA)
where:
Base-Base interactions energy: -125.943
where: short stacking energy: -66.670
Base-Backbone interact. energy: 1.575
local terms energy: -78.184238
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -20.002
flat angles P-C4'-P energy: -13.073
tors. eta vs tors. theta energy: -16.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -190.196486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.196486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.196486 (E_RNA)
where:
Base-Base interactions energy: -117.099
where: short stacking energy: -60.881
Base-Backbone interact. energy: 2.182
local terms energy: -75.279838
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -18.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -118.704316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.704316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.704316 (E_RNA)
where:
Base-Base interactions energy: -53.059
where: short stacking energy: -43.758
Base-Backbone interact. energy: -0.076
local terms energy: -65.568545
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -6.052
tors. eta vs tors. theta energy: -10.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -116.397508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.397508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.397508 (E_RNA)
where:
Base-Base interactions energy: -55.385
where: short stacking energy: -27.629
Base-Backbone interact. energy: -0.277
local terms energy: -60.734691
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -15.146
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -15.744
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: 10
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -91.613342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.613342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.613342 (E_RNA)
where:
Base-Base interactions energy: -28.251
where: short stacking energy: -21.368
Base-Backbone interact. energy: -0.634
local terms energy: -62.728553
where:
bonds (distance) C4'-P energy: -17.913
bonds (distance) P-C4' energy: -16.769
flat angles C4'-P-C4' energy: -16.438
flat angles P-C4'-P energy: -12.530
tors. eta vs tors. theta energy: 0.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -80.578482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.578482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.578482 (E_RNA)
where:
Base-Base interactions energy: -33.908
where: short stacking energy: -22.577
Base-Backbone interact. energy: -0.099
local terms energy: -46.571441
where:
bonds (distance) C4'-P energy: -10.006
bonds (distance) P-C4' energy: -16.859
flat angles C4'-P-C4' energy: -11.222
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: 3.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -84.517727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.517727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.517727 (E_RNA)
where:
Base-Base interactions energy: -27.358
where: short stacking energy: -27.358
Base-Backbone interact. energy: -0.054
local terms energy: -57.105275
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -15.795
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: -0.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -265.954908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.954908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.954908 (E_RNA)
where:
Base-Base interactions energy: -175.478
where: short stacking energy: -88.519
Base-Backbone interact. energy: -0.089
local terms energy: -90.388055
where:
bonds (distance) C4'-P energy: -17.570
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -19.597
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -27.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -260.164895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.164895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.164895 (E_RNA)
where:
Base-Base interactions energy: -161.299
where: short stacking energy: -74.049
Base-Backbone interact. energy: -0.673
local terms energy: -98.192730
where:
bonds (distance) C4'-P energy: -18.463
bonds (distance) P-C4' energy: -20.140
flat angles C4'-P-C4' energy: -17.980
flat angles P-C4'-P energy: -13.700
tors. eta vs tors. theta energy: -27.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -253.593874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.593874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.593874 (E_RNA)
where:
Base-Base interactions energy: -166.299
where: short stacking energy: -71.779
Base-Backbone interact. energy: 0.776
local terms energy: -88.070798
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -18.458
flat angles P-C4'-P energy: -13.705
tors. eta vs tors. theta energy: -23.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -190.010808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.010808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.010808 (E_RNA)
where:
Base-Base interactions energy: -116.438
where: short stacking energy: -67.410
Base-Backbone interact. energy: -0.175
local terms energy: -73.398206
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -16.508
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: -14.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -192.375994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.375994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.375994 (E_RNA)
where:
Base-Base interactions energy: -128.976
where: short stacking energy: -57.637
Base-Backbone interact. energy: -0.240
local terms energy: -63.159732
where:
bonds (distance) C4'-P energy: -16.463
bonds (distance) P-C4' energy: -14.288
flat angles C4'-P-C4' energy: -9.078
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -13.211
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: 6
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -144.459668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.459668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.459668 (E_RNA)
where:
Base-Base interactions energy: -84.807
where: short stacking energy: -41.500
Base-Backbone interact. energy: -0.666
local terms energy: -58.986379
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -12.537
flat angles C4'-P-C4' energy: -16.847
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -4.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -88.933305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.933305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.933305 (E_RNA)
where:
Base-Base interactions energy: -25.281
where: short stacking energy: -25.281
Base-Backbone interact. energy: -0.043
local terms energy: -63.608749
where:
bonds (distance) C4'-P energy: -17.395
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -16.835
flat angles P-C4'-P energy: -10.355
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: 8, replica: 9
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -108.746686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.746686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.746686 (E_RNA)
where:
Base-Base interactions energy: -42.144
where: short stacking energy: -32.250
Base-Backbone interact. energy: -0.518
local terms energy: -66.083869
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -8.331
tors. eta vs tors. theta energy: -7.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -84.750302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.750302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.750302 (E_RNA)
where:
Base-Base interactions energy: -36.869
where: short stacking energy: -36.869
Base-Backbone interact. energy: -0.062
local terms energy: -47.819366
where:
bonds (distance) C4'-P energy: -4.996
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -6.095
tors. eta vs tors. theta energy: -4.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -85.322764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.322764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.322764 (E_RNA)
where:
Base-Base interactions energy: -32.377
where: short stacking energy: -29.521
Base-Backbone interact. energy: -0.011
local terms energy: -52.934735
where:
bonds (distance) C4'-P energy: -18.331
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -5.900
flat angles P-C4'-P energy: -2.980
tors. eta vs tors. theta energy: -7.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -268.549477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.549477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.549477 (E_RNA)
where:
Base-Base interactions energy: -174.908
where: short stacking energy: -81.316
Base-Backbone interact. energy: -0.227
local terms energy: -93.414712
where:
bonds (distance) C4'-P energy: -15.558
bonds (distance) P-C4' energy: -17.096
flat angles C4'-P-C4' energy: -18.858
flat angles P-C4'-P energy: -14.377
tors. eta vs tors. theta energy: -27.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -258.644654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.644654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.644654 (E_RNA)
where:
Base-Base interactions energy: -168.833
where: short stacking energy: -73.207
Base-Backbone interact. energy: -0.189
local terms energy: -89.622995
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -18.841
flat angles C4'-P-C4' energy: -18.659
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: -23.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -254.748367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.748367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.748367 (E_RNA)
where:
Base-Base interactions energy: -170.220
where: short stacking energy: -77.261
Base-Backbone interact. energy: -0.054
local terms energy: -84.474974
where:
bonds (distance) C4'-P energy: -10.676
bonds (distance) P-C4' energy: -19.337
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -12.654
tors. eta vs tors. theta energy: -26.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -192.805046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.805046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.805046 (E_RNA)
where:
Base-Base interactions energy: -112.357
where: short stacking energy: -63.667
Base-Backbone interact. energy: -0.026
local terms energy: -80.421749
where:
bonds (distance) C4'-P energy: -18.974
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -17.581
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -16.620
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: 6
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -153.283961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.283961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.283961 (E_RNA)
where:
Base-Base interactions energy: -82.681
where: short stacking energy: -45.533
Base-Backbone interact. energy: 0.133
local terms energy: -70.735802
where:
bonds (distance) C4'-P energy: -17.895
bonds (distance) P-C4' energy: -20.101
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -11.641
tors. eta vs tors. theta energy: -6.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -174.792513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.792513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.792513 (E_RNA)
where:
Base-Base interactions energy: -101.940
where: short stacking energy: -48.556
Base-Backbone interact. energy: -0.006
local terms energy: -72.847218
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -18.209
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -11.989
tors. eta vs tors. theta energy: -11.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -126.503016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.503016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.503016 (E_RNA)
where:
Base-Base interactions energy: -66.050
where: short stacking energy: -31.086
Base-Backbone interact. energy: -0.221
local terms energy: -60.232282
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: 0.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -100.637365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.637365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.637365 (E_RNA)
where:
Base-Base interactions energy: -42.089
where: short stacking energy: -32.361
Base-Backbone interact. energy: -0.189
local terms energy: -58.359201
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -14.925
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: -7.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -81.621526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.621526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.621526 (E_RNA)
where:
Base-Base interactions energy: -24.985
where: short stacking energy: -24.985
Base-Backbone interact. energy: -0.060
local terms energy: -56.575691
where:
bonds (distance) C4'-P energy: -14.572
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -2.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -82.191951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.191951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.191951 (E_RNA)
where:
Base-Base interactions energy: -33.680
where: short stacking energy: -22.536
Base-Backbone interact. energy: -0.379
local terms energy: -48.132839
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -7.545
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: 1, replica: 5
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -265.408268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.408268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.408268 (E_RNA)
where:
Base-Base interactions energy: -175.115
where: short stacking energy: -76.184
Base-Backbone interact. energy: -0.100
local terms energy: -90.192943
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -18.249
flat angles C4'-P-C4' energy: -18.673
flat angles P-C4'-P energy: -12.659
tors. eta vs tors. theta energy: -27.622
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: 4
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -258.410748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.410748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.410748 (E_RNA)
where:
Base-Base interactions energy: -164.698
where: short stacking energy: -71.691
Base-Backbone interact. energy: -0.001
local terms energy: -93.712138
where:
bonds (distance) C4'-P energy: -16.736
bonds (distance) P-C4' energy: -19.295
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -14.978
tors. eta vs tors. theta energy: -25.192
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: 47
Temperature: 1.000000
Total energy: -253.188678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.188678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.188678 (E_RNA)
where:
Base-Base interactions energy: -165.204
where: short stacking energy: -85.483
Base-Backbone interact. energy: -0.045
local terms energy: -87.940336
where:
bonds (distance) C4'-P energy: -10.117
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -20.211
flat angles P-C4'-P energy: -12.067
tors. eta vs tors. theta energy: -26.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -178.183496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.183496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.183496 (E_RNA)
where:
Base-Base interactions energy: -105.425
where: short stacking energy: -55.330
Base-Backbone interact. energy: -1.198
local terms energy: -71.559904
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -20.250
flat angles C4'-P-C4' energy: -12.615
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -14.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -152.331985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.331985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.331985 (E_RNA)
where:
Base-Base interactions energy: -79.670
where: short stacking energy: -54.075
Base-Backbone interact. energy: -0.059
local terms energy: -72.602410
where:
bonds (distance) C4'-P energy: -18.085
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -13.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -182.904264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.904264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.904264 (E_RNA)
where:
Base-Base interactions energy: -105.587
where: short stacking energy: -59.684
Base-Backbone interact. energy: -0.008
local terms energy: -77.309462
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -15.689
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -19.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -204.997303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.997303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.997303 (E_RNA)
where:
Base-Base interactions energy: -131.352
where: short stacking energy: -63.370
Base-Backbone interact. energy: -0.511
local terms energy: -73.134261
where:
bonds (distance) C4'-P energy: -14.771
bonds (distance) P-C4' energy: -12.418
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -11.967
tors. eta vs tors. theta energy: -19.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -88.583085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.583085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.583085 (E_RNA)
where:
Base-Base interactions energy: -42.823
where: short stacking energy: -26.720
Base-Backbone interact. energy: 1.893
local terms energy: -47.653135
where:
bonds (distance) C4'-P energy: -12.299
bonds (distance) P-C4' energy: -12.331
flat angles C4'-P-C4' energy: -10.356
flat angles P-C4'-P energy: -11.442
tors. eta vs tors. theta energy: -1.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -92.787426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.787426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.787426 (E_RNA)
where:
Base-Base interactions energy: -34.775
where: short stacking energy: -34.775
Base-Backbone interact. energy: -0.080
local terms energy: -57.932875
where:
bonds (distance) C4'-P energy: -11.228
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -3.972
tors. eta vs tors. theta energy: -10.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -81.647449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.647449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.647449 (E_RNA)
where:
Base-Base interactions energy: -31.307
where: short stacking energy: -27.958
Base-Backbone interact. energy: -0.152
local terms energy: -50.188444
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -18.580
flat angles C4'-P-C4' energy: -3.147
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: -1.135
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: 1, replica: 4
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -265.945039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.945039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.945039 (E_RNA)
where:
Base-Base interactions energy: -174.955
where: short stacking energy: -78.687
Base-Backbone interact. energy: -0.143
local terms energy: -90.846637
where:
bonds (distance) C4'-P energy: -17.262
bonds (distance) P-C4' energy: -20.387
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -12.201
tors. eta vs tors. theta energy: -25.459
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: 2, replica: 5
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -256.569470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.569470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.569470 (E_RNA)
where:
Base-Base interactions energy: -163.944
where: short stacking energy: -78.761
Base-Backbone interact. energy: -0.006
local terms energy: -92.619421
where:
bonds (distance) C4'-P energy: -18.623
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -20.926
flat angles P-C4'-P energy: -13.268
tors. eta vs tors. theta energy: -23.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -265.055268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.055268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.055268 (E_RNA)
where:
Base-Base interactions energy: -171.064
where: short stacking energy: -77.966
Base-Backbone interact. energy: -0.159
local terms energy: -93.831668
where:
bonds (distance) C4'-P energy: -18.918
bonds (distance) P-C4' energy: -16.656
flat angles C4'-P-C4' energy: -17.651
flat angles P-C4'-P energy: -14.232
tors. eta vs tors. theta energy: -26.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -182.189695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.189695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.189695 (E_RNA)
where:
Base-Base interactions energy: -113.964
where: short stacking energy: -63.405
Base-Backbone interact. energy: -0.028
local terms energy: -68.196884
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -5.453
tors. eta vs tors. theta energy: -17.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -185.654805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.654805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.654805 (E_RNA)
where:
Base-Base interactions energy: -109.729
where: short stacking energy: -59.659
Base-Backbone interact. energy: -0.199
local terms energy: -75.726989
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -19.717
flat angles P-C4'-P energy: -7.977
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: 6, replica: 6
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -149.309848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.309848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.309848 (E_RNA)
where:
Base-Base interactions energy: -85.931
where: short stacking energy: -38.996
Base-Backbone interact. energy: -0.079
local terms energy: -63.299445
where:
bonds (distance) C4'-P energy: -17.610
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -11.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -198.805345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.805345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.805345 (E_RNA)
where:
Base-Base interactions energy: -133.893
where: short stacking energy: -58.873
Base-Backbone interact. energy: 0.054
local terms energy: -64.965843
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -10.838
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -17.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -97.603935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.603935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.603935 (E_RNA)
where:
Base-Base interactions energy: -35.512
where: short stacking energy: -31.536
Base-Backbone interact. energy: -0.158
local terms energy: -61.934460
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -17.017
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -6.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -94.077449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.077449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.077449 (E_RNA)
where:
Base-Base interactions energy: -32.404
where: short stacking energy: -32.404
Base-Backbone interact. energy: -0.534
local terms energy: -61.139022
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -17.363
flat angles C4'-P-C4' energy: -10.906
flat angles P-C4'-P energy: -14.421
tors. eta vs tors. theta energy: -2.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -84.771710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.771710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.771710 (E_RNA)
where:
Base-Base interactions energy: -28.302
where: short stacking energy: -28.302
Base-Backbone interact. energy: -0.191
local terms energy: -56.278993
where:
bonds (distance) C4'-P energy: -11.073
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -15.876
flat angles P-C4'-P energy: -13.955
tors. eta vs tors. theta energy: -0.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -258.334516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.334516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.334516 (E_RNA)
where:
Base-Base interactions energy: -168.598
where: short stacking energy: -72.835
Base-Backbone interact. energy: -0.358
local terms energy: -89.377731
where:
bonds (distance) C4'-P energy: -17.932
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -17.818
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: -23.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -263.618816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.618816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.618816 (E_RNA)
where:
Base-Base interactions energy: -170.627
where: short stacking energy: -83.713
Base-Backbone interact. energy: -0.081
local terms energy: -92.911571
where:
bonds (distance) C4'-P energy: -17.799
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -17.450
flat angles P-C4'-P energy: -15.474
tors. eta vs tors. theta energy: -25.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -257.583131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.583131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.583131 (E_RNA)
where:
Base-Base interactions energy: -170.051
where: short stacking energy: -85.924
Base-Backbone interact. energy: -0.001
local terms energy: -87.530844
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -18.224
flat angles C4'-P-C4' energy: -18.798
flat angles P-C4'-P energy: -11.663
tors. eta vs tors. theta energy: -23.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -194.234091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.234091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.234091 (E_RNA)
where:
Base-Base interactions energy: -111.413
where: short stacking energy: -65.801
Base-Backbone interact. energy: -0.852
local terms energy: -81.969173
where:
bonds (distance) C4'-P energy: -19.133
bonds (distance) P-C4' energy: -17.533
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -22.274
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: 49
Temperature: 1.100000
Total energy: -168.248141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.248141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.248141 (E_RNA)
where:
Base-Base interactions energy: -97.340
where: short stacking energy: -46.950
Base-Backbone interact. energy: -0.325
local terms energy: -70.582699
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -18.489
flat angles P-C4'-P energy: -6.709
tors. eta vs tors. theta energy: -12.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -193.974846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.974846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.974846 (E_RNA)
where:
Base-Base interactions energy: -119.488
where: short stacking energy: -55.831
Base-Backbone interact. energy: -0.241
local terms energy: -74.245919
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -17.642
flat angles C4'-P-C4' energy: -17.728
flat angles P-C4'-P energy: -10.553
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: 7, replica: 6
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -111.831028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.831028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.831028 (E_RNA)
where:
Base-Base interactions energy: -40.778
where: short stacking energy: -36.403
Base-Backbone interact. energy: -0.094
local terms energy: -70.958941
where:
bonds (distance) C4'-P energy: -17.932
bonds (distance) P-C4' energy: -19.038
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -12.937
tors. eta vs tors. theta energy: -4.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -107.418760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.418760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.418760 (E_RNA)
where:
Base-Base interactions energy: -38.322
where: short stacking energy: -38.422
Base-Backbone interact. energy: -0.167
local terms energy: -68.929570
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -17.483
flat angles C4'-P-C4' energy: -17.729
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -8.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -91.039868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.039868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.039868 (E_RNA)
where:
Base-Base interactions energy: -33.772
where: short stacking energy: -32.138
Base-Backbone interact. energy: -0.111
local terms energy: -57.156646
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -12.630
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: -8.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -81.775744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.775744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.775744 (E_RNA)
where:
Base-Base interactions energy: -25.920
where: short stacking energy: -24.113
Base-Backbone interact. energy: -0.393
local terms energy: -55.462960
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -6.731
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: 1, replica: 2
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -261.370729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.370729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.370729 (E_RNA)
where:
Base-Base interactions energy: -172.083
where: short stacking energy: -80.222
Base-Backbone interact. energy: 0.230
local terms energy: -89.517625
where:
bonds (distance) C4'-P energy: -16.773
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -18.445
flat angles P-C4'-P energy: -12.790
tors. eta vs tors. theta energy: -23.724
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: 4
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -263.342334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.342334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.342334 (E_RNA)
where:
Base-Base interactions energy: -166.442
where: short stacking energy: -82.805
Base-Backbone interact. energy: -0.097
local terms energy: -96.803301
where:
bonds (distance) C4'-P energy: -20.109
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -19.025
flat angles P-C4'-P energy: -14.296
tors. eta vs tors. theta energy: -25.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -191.476500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.476500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.476500 (E_RNA)
where:
Base-Base interactions energy: -119.625
where: short stacking energy: -60.120
Base-Backbone interact. energy: 0.013
local terms energy: -71.864894
where:
bonds (distance) C4'-P energy: -16.356
bonds (distance) P-C4' energy: -16.556
flat angles C4'-P-C4' energy: -16.643
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -11.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -253.813956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.813956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.813956 (E_RNA)
where:
Base-Base interactions energy: -161.255
where: short stacking energy: -76.250
Base-Backbone interact. energy: -0.829
local terms energy: -91.730183
where:
bonds (distance) C4'-P energy: -17.369
bonds (distance) P-C4' energy: -18.185
flat angles C4'-P-C4' energy: -19.666
flat angles P-C4'-P energy: -12.222
tors. eta vs tors. theta energy: -24.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -212.053627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.053627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.053627 (E_RNA)
where:
Base-Base interactions energy: -135.628
where: short stacking energy: -62.977
Base-Backbone interact. energy: 0.662
local terms energy: -77.087529
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -11.390
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: 6, replica: 3
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -170.431839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.431839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.431839 (E_RNA)
where:
Base-Base interactions energy: -103.206
where: short stacking energy: -46.305
Base-Backbone interact. energy: -0.793
local terms energy: -66.432292
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -15.756
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -12.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -96.336014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.336014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.336014 (E_RNA)
where:
Base-Base interactions energy: -43.599
where: short stacking energy: -30.698
Base-Backbone interact. energy: 0.318
local terms energy: -53.054652
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: 1.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -95.392901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.392901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.392901 (E_RNA)
where:
Base-Base interactions energy: -37.889
where: short stacking energy: -37.889
Base-Backbone interact. energy: -0.069
local terms energy: -57.434619
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -17.409
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -5.681
tors. eta vs tors. theta energy: -1.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -96.466242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.466242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.466242 (E_RNA)
where:
Base-Base interactions energy: -50.978
where: short stacking energy: -27.178
Base-Backbone interact. energy: -0.329
local terms energy: -45.159485
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -1.169
tors. eta vs tors. theta energy: -0.957
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: 10
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -77.888935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.888935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.888935 (E_RNA)
where:
Base-Base interactions energy: -27.180
where: short stacking energy: -8.052
Base-Backbone interact. energy: -0.305
local terms energy: -50.403966
where:
bonds (distance) C4'-P energy: -8.440
bonds (distance) P-C4' energy: -20.802
flat angles C4'-P-C4' energy: -11.328
flat angles P-C4'-P energy: -11.536
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: 51
Temperature: 0.900000
Total energy: -267.170442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.170442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.170442 (E_RNA)
where:
Base-Base interactions energy: -180.751
where: short stacking energy: -77.154
Base-Backbone interact. energy: -0.628
local terms energy: -85.791367
where:
bonds (distance) C4'-P energy: -17.743
bonds (distance) P-C4' energy: -15.183
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -24.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -260.201857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.201857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.201857 (E_RNA)
where:
Base-Base interactions energy: -168.877
where: short stacking energy: -85.766
Base-Backbone interact. energy: -0.020
local terms energy: -91.304789
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -17.962
flat angles P-C4'-P energy: -15.018
tors. eta vs tors. theta energy: -26.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -199.015108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.015108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.015108 (E_RNA)
where:
Base-Base interactions energy: -116.785
where: short stacking energy: -62.571
Base-Backbone interact. energy: -0.018
local terms energy: -82.211492
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -19.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -255.688961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.688961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.688961 (E_RNA)
where:
Base-Base interactions energy: -169.057
where: short stacking energy: -74.761
Base-Backbone interact. energy: -0.052
local terms energy: -86.580624
where:
bonds (distance) C4'-P energy: -15.479
bonds (distance) P-C4' energy: -18.483
flat angles C4'-P-C4' energy: -16.601
flat angles P-C4'-P energy: -12.965
tors. eta vs tors. theta energy: -23.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -225.545234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.545234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.545234 (E_RNA)
where:
Base-Base interactions energy: -143.044
where: short stacking energy: -63.562
Base-Backbone interact. energy: -0.069
local terms energy: -82.432420
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -17.282
flat angles P-C4'-P energy: -12.161
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: 6, replica: 3
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -152.632293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.632293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.632293 (E_RNA)
where:
Base-Base interactions energy: -82.100
where: short stacking energy: -44.027
Base-Backbone interact. energy: -0.597
local terms energy: -69.935247
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -17.324
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -9.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -108.808269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.808269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.808269 (E_RNA)
where:
Base-Base interactions energy: -42.533
where: short stacking energy: -42.533
Base-Backbone interact. energy: -0.463
local terms energy: -65.812706
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -15.918
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -8.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -88.867028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.867028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.867028 (E_RNA)
where:
Base-Base interactions energy: -27.642
where: short stacking energy: -22.131
Base-Backbone interact. energy: 1.382
local terms energy: -62.607769
where:
bonds (distance) C4'-P energy: -17.196
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -16.764
flat angles P-C4'-P energy: -8.234
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: 9, replica: 6
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -99.920700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.920700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.920700 (E_RNA)
where:
Base-Base interactions energy: -44.692
where: short stacking energy: -26.733
Base-Backbone interact. energy: -0.098
local terms energy: -55.130237
where:
bonds (distance) C4'-P energy: -17.579
bonds (distance) P-C4' energy: -17.487
flat angles C4'-P-C4' energy: -8.981
flat angles P-C4'-P energy: -4.760
tors. eta vs tors. theta energy: -6.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -82.035982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.035982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.035982 (E_RNA)
where:
Base-Base interactions energy: -28.471
where: short stacking energy: -22.089
Base-Backbone interact. energy: 1.065
local terms energy: -54.630335
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -19.873
flat angles C4'-P-C4' energy: -10.501
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: 0.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -264.686431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.686431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.686431 (E_RNA)
where:
Base-Base interactions energy: -177.314
where: short stacking energy: -84.781
Base-Backbone interact. energy: -0.016
local terms energy: -87.357006
where:
bonds (distance) C4'-P energy: -13.504
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -18.964
flat angles P-C4'-P energy: -13.293
tors. eta vs tors. theta energy: -25.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -264.822809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.822809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.822809 (E_RNA)
where:
Base-Base interactions energy: -168.673
where: short stacking energy: -78.673
Base-Backbone interact. energy: -0.030
local terms energy: -96.120036
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -17.847
flat angles C4'-P-C4' energy: -19.191
flat angles P-C4'-P energy: -15.312
tors. eta vs tors. theta energy: -27.800
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: 5
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -252.716150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.716150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.716150 (E_RNA)
where:
Base-Base interactions energy: -170.875
where: short stacking energy: -80.384
Base-Backbone interact. energy: 0.315
local terms energy: -82.156279
where:
bonds (distance) C4'-P energy: -11.679
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -19.018
flat angles P-C4'-P energy: -12.629
tors. eta vs tors. theta energy: -23.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -188.154802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.154802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.154802 (E_RNA)
where:
Base-Base interactions energy: -114.939
where: short stacking energy: -66.820
Base-Backbone interact. energy: -0.436
local terms energy: -72.779066
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -10.249
flat angles C4'-P-C4' energy: -18.046
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -18.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -244.418907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.418907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.418907 (E_RNA)
where:
Base-Base interactions energy: -159.474
where: short stacking energy: -78.447
Base-Backbone interact. energy: -0.002
local terms energy: -84.942928
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -14.416
tors. eta vs tors. theta energy: -25.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -138.344774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.344774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.344774 (E_RNA)
where:
Base-Base interactions energy: -75.664
where: short stacking energy: -48.214
Base-Backbone interact. energy: -0.183
local terms energy: -62.498142
where:
bonds (distance) C4'-P energy: -10.861
bonds (distance) P-C4' energy: -18.582
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -8.171
tors. eta vs tors. theta energy: -9.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -96.133824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.133824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.133824 (E_RNA)
where:
Base-Base interactions energy: -35.554
where: short stacking energy: -34.802
Base-Backbone interact. energy: -0.788
local terms energy: -59.791111
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -16.200
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -8.863
tors. eta vs tors. theta energy: -3.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -96.246072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.246072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.246072 (E_RNA)
where:
Base-Base interactions energy: -38.131
where: short stacking energy: -23.826
Base-Backbone interact. energy: -0.140
local terms energy: -57.974636
where:
bonds (distance) C4'-P energy: -9.612
bonds (distance) P-C4' energy: -18.660
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -9.438
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: 9, replica: 10
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -116.720227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.720227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.720227 (E_RNA)
where:
Base-Base interactions energy: -61.526
where: short stacking energy: -31.940
Base-Backbone interact. energy: 1.176
local terms energy: -56.370433
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -14.922
flat angles P-C4'-P energy: -8.005
tors. eta vs tors. theta energy: -2.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -79.198748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.198748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.198748 (E_RNA)
where:
Base-Base interactions energy: -24.355
where: short stacking energy: -21.604
Base-Backbone interact. energy: -0.349
local terms energy: -54.495315
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: 3.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -256.976238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.976238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.976238 (E_RNA)
where:
Base-Base interactions energy: -171.916
where: short stacking energy: -77.030
Base-Backbone interact. energy: -0.068
local terms energy: -84.992066
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -18.222
flat angles P-C4'-P energy: -12.015
tors. eta vs tors. theta energy: -21.875
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: 5
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -252.097277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.097277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.097277 (E_RNA)
where:
Base-Base interactions energy: -164.583
where: short stacking energy: -80.668
Base-Backbone interact. energy: -0.222
local terms energy: -87.293134
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -20.383
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -27.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -258.546822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.546822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.546822 (E_RNA)
where:
Base-Base interactions energy: -170.973
where: short stacking energy: -83.454
Base-Backbone interact. energy: -0.005
local terms energy: -87.568673
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -17.810
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -12.742
tors. eta vs tors. theta energy: -25.213
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: 9
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -234.540255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.540255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.540255 (E_RNA)
where:
Base-Base interactions energy: -157.584
where: short stacking energy: -73.755
Base-Backbone interact. energy: -0.343
local terms energy: -76.613103
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -12.371
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -12.339
tors. eta vs tors. theta energy: -23.146
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: 8
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -188.601392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.601392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.601392 (E_RNA)
where:
Base-Base interactions energy: -116.543
where: short stacking energy: -63.232
Base-Backbone interact. energy: -0.092
local terms energy: -71.966478
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -17.357
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: -19.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -106.818958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.818958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.818958 (E_RNA)
where:
Base-Base interactions energy: -47.035
where: short stacking energy: -32.318
Base-Backbone interact. energy: 0.461
local terms energy: -60.244651
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -15.683
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -3.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -131.022597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.022597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.022597 (E_RNA)
where:
Base-Base interactions energy: -69.478
where: short stacking energy: -34.190
Base-Backbone interact. energy: -0.242
local terms energy: -61.302612
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -18.886
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: -5.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -102.671138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.671138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.671138 (E_RNA)
where:
Base-Base interactions energy: -42.810
where: short stacking energy: -34.968
Base-Backbone interact. energy: -0.937
local terms energy: -58.924328
where:
bonds (distance) C4'-P energy: -16.609
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -15.340
flat angles P-C4'-P energy: -9.415
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: 9, replica: 7
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -87.524519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.524519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.524519 (E_RNA)
where:
Base-Base interactions energy: -27.890
where: short stacking energy: -22.871
Base-Backbone interact. energy: 0.065
local terms energy: -59.699302
where:
bonds (distance) C4'-P energy: -16.965
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -11.814
tors. eta vs tors. theta energy: 0.762
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: 53
Temperature: 1.350000
Total energy: -84.715398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.715398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.715398 (E_RNA)
where:
Base-Base interactions energy: -19.190
where: short stacking energy: -19.190
Base-Backbone interact. energy: -0.126
local terms energy: -65.399729
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -4.861
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: 5
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -266.228943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.228943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.228943 (E_RNA)
where:
Base-Base interactions energy: -174.061
where: short stacking energy: -86.466
Base-Backbone interact. energy: -0.389
local terms energy: -91.779103
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -16.810
flat angles C4'-P-C4' energy: -18.877
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -27.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -260.927028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.927028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.927028 (E_RNA)
where:
Base-Base interactions energy: -171.024
where: short stacking energy: -88.824
Base-Backbone interact. energy: 0.553
local terms energy: -90.456342
where:
bonds (distance) C4'-P energy: -18.872
bonds (distance) P-C4' energy: -18.171
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -14.956
tors. eta vs tors. theta energy: -25.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -235.832405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.832405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.832405 (E_RNA)
where:
Base-Base interactions energy: -151.960
where: short stacking energy: -64.784
Base-Backbone interact. energy: -0.094
local terms energy: -83.779218
where:
bonds (distance) C4'-P energy: -17.153
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -16.572
flat angles P-C4'-P energy: -12.667
tors. eta vs tors. theta energy: -23.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -245.347722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.347722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.347722 (E_RNA)
where:
Base-Base interactions energy: -159.013
where: short stacking energy: -69.288
Base-Backbone interact. energy: -0.096
local terms energy: -86.237991
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -19.056
flat angles C4'-P-C4' energy: -17.632
flat angles P-C4'-P energy: -13.194
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: 5, replica: 8
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -179.413997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.413997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.413997 (E_RNA)
where:
Base-Base interactions energy: -99.110
where: short stacking energy: -57.183
Base-Backbone interact. energy: -0.263
local terms energy: -80.040868
where:
bonds (distance) C4'-P energy: -19.998
bonds (distance) P-C4' energy: -17.852
flat angles C4'-P-C4' energy: -17.330
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -15.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -135.911614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.911614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.911614 (E_RNA)
where:
Base-Base interactions energy: -70.229
where: short stacking energy: -35.755
Base-Backbone interact. energy: -0.208
local terms energy: -65.474742
where:
bonds (distance) C4'-P energy: -18.744
bonds (distance) P-C4' energy: -19.067
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -5.332
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: 7, replica: 10
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -133.077284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.077284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.077284 (E_RNA)
where:
Base-Base interactions energy: -69.001
where: short stacking energy: -46.020
Base-Backbone interact. energy: -0.113
local terms energy: -63.963015
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -12.969
flat angles P-C4'-P energy: -3.721
tors. eta vs tors. theta energy: -11.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -99.122438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.122438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.122438 (E_RNA)
where:
Base-Base interactions energy: -43.764
where: short stacking energy: -41.684
Base-Backbone interact. energy: -0.076
local terms energy: -55.281835
where:
bonds (distance) C4'-P energy: -9.089
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -16.742
flat angles P-C4'-P energy: -7.420
tors. eta vs tors. theta energy: -6.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -94.826897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.826897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.826897 (E_RNA)
where:
Base-Base interactions energy: -30.148
where: short stacking energy: -30.148
Base-Backbone interact. energy: -0.007
local terms energy: -64.671787
where:
bonds (distance) C4'-P energy: -16.956
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -7.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -83.601338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.601338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.601338 (E_RNA)
where:
Base-Base interactions energy: -30.448
where: short stacking energy: -30.448
Base-Backbone interact. energy: -0.159
local terms energy: -52.995186
where:
bonds (distance) C4'-P energy: -14.027
bonds (distance) P-C4' energy: -13.996
flat angles C4'-P-C4' energy: -17.026
flat angles P-C4'-P energy: -8.235
tors. eta vs tors. theta energy: 0.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -264.629416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.629416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.629416 (E_RNA)
where:
Base-Base interactions energy: -173.970
where: short stacking energy: -83.195
Base-Backbone interact. energy: -0.006
local terms energy: -90.653062
where:
bonds (distance) C4'-P energy: -19.618
bonds (distance) P-C4' energy: -14.993
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -28.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -247.351384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.351384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.351384 (E_RNA)
where:
Base-Base interactions energy: -155.797
where: short stacking energy: -72.648
Base-Backbone interact. energy: -0.031
local terms energy: -91.522732
where:
bonds (distance) C4'-P energy: -17.899
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -18.722
flat angles P-C4'-P energy: -13.180
tors. eta vs tors. theta energy: -23.879
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: 2
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -229.927628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.927628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.927628 (E_RNA)
where:
Base-Base interactions energy: -144.535
where: short stacking energy: -62.169
Base-Backbone interact. energy: -0.074
local terms energy: -85.318796
where:
bonds (distance) C4'-P energy: -17.813
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -14.051
tors. eta vs tors. theta energy: -23.265
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: 4
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -235.760315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.760315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.760315 (E_RNA)
where:
Base-Base interactions energy: -153.246
where: short stacking energy: -69.131
Base-Backbone interact. energy: -0.101
local terms energy: -82.413386
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -19.105
flat angles C4'-P-C4' energy: -17.982
flat angles P-C4'-P energy: -9.905
tors. eta vs tors. theta energy: -20.412
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: 8
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -171.231054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.231054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.231054 (E_RNA)
where:
Base-Base interactions energy: -108.404
where: short stacking energy: -56.207
Base-Backbone interact. energy: -0.330
local terms energy: -62.497372
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -6.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -118.859903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.859903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.859903 (E_RNA)
where:
Base-Base interactions energy: -61.439
where: short stacking energy: -33.847
Base-Backbone interact. energy: -0.072
local terms energy: -57.348898
where:
bonds (distance) C4'-P energy: -17.606
bonds (distance) P-C4' energy: -11.928
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -5.642
tors. eta vs tors. theta energy: -7.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -117.991323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.991323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.991323 (E_RNA)
where:
Base-Base interactions energy: -58.804
where: short stacking energy: -43.423
Base-Backbone interact. energy: -0.102
local terms energy: -59.084856
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -17.222
flat angles C4'-P-C4' energy: -11.136
flat angles P-C4'-P energy: -5.970
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: 8, replica: 3
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -87.435794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.435794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.435794 (E_RNA)
where:
Base-Base interactions energy: -30.603
where: short stacking energy: -27.678
Base-Backbone interact. energy: -0.424
local terms energy: -56.409584
where:
bonds (distance) C4'-P energy: -17.701
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -8.682
tors. eta vs tors. theta energy: 0.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -85.919551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.919551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.919551 (E_RNA)
where:
Base-Base interactions energy: -25.358
where: short stacking energy: -25.358
Base-Backbone interact. energy: 0.207
local terms energy: -60.769262
where:
bonds (distance) C4'-P energy: -18.926
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -8.057
tors. eta vs tors. theta energy: -3.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -81.290108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.290108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.290108 (E_RNA)
where:
Base-Base interactions energy: -20.903
where: short stacking energy: -20.903
Base-Backbone interact. energy: -0.112
local terms energy: -60.275805
where:
bonds (distance) C4'-P energy: -18.022
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -17.644
flat angles P-C4'-P energy: -4.123
tors. eta vs tors. theta energy: -6.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -264.503474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.503474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.503474 (E_RNA)
where:
Base-Base interactions energy: -176.149
where: short stacking energy: -80.219
Base-Backbone interact. energy: -0.002
local terms energy: -88.352596
where:
bonds (distance) C4'-P energy: -18.459
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -17.420
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -25.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -255.245208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.245208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.245208 (E_RNA)
where:
Base-Base interactions energy: -165.511
where: short stacking energy: -71.328
Base-Backbone interact. energy: 1.657
local terms energy: -91.391638
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -19.378
flat angles C4'-P-C4' energy: -18.234
flat angles P-C4'-P energy: -12.647
tors. eta vs tors. theta energy: -25.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -244.063860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.063860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.063860 (E_RNA)
where:
Base-Base interactions energy: -155.240
where: short stacking energy: -69.381
Base-Backbone interact. energy: -0.022
local terms energy: -88.801565
where:
bonds (distance) C4'-P energy: -18.561
bonds (distance) P-C4' energy: -19.989
flat angles C4'-P-C4' energy: -18.070
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -21.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -218.810355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.810355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.810355 (E_RNA)
where:
Base-Base interactions energy: -137.309
where: short stacking energy: -66.408
Base-Backbone interact. energy: -0.396
local terms energy: -81.105633
where:
bonds (distance) C4'-P energy: -17.539
bonds (distance) P-C4' energy: -18.541
flat angles C4'-P-C4' energy: -10.252
flat angles P-C4'-P energy: -13.366
tors. eta vs tors. theta energy: -21.407
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: 8
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -197.794069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.794069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.794069 (E_RNA)
where:
Base-Base interactions energy: -115.339
where: short stacking energy: -66.757
Base-Backbone interact. energy: -0.043
local terms energy: -82.412991
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -15.750
flat angles C4'-P-C4' energy: -18.856
flat angles P-C4'-P energy: -12.543
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: 6, replica: 10
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -149.569537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.569537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.569537 (E_RNA)
where:
Base-Base interactions energy: -75.647
where: short stacking energy: -45.894
Base-Backbone interact. energy: -1.481
local terms energy: -72.441686
where:
bonds (distance) C4'-P energy: -19.050
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -10.070
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: 1
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -104.009719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.009719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.009719 (E_RNA)
where:
Base-Base interactions energy: -35.248
where: short stacking energy: -35.248
Base-Backbone interact. energy: -0.083
local terms energy: -68.678530
where:
bonds (distance) C4'-P energy: -11.181
bonds (distance) P-C4' energy: -14.521
flat angles C4'-P-C4' energy: -19.217
flat angles P-C4'-P energy: -13.148
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: 8, replica: 3
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -100.464741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.464741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.464741 (E_RNA)
where:
Base-Base interactions energy: -48.778
where: short stacking energy: -37.431
Base-Backbone interact. energy: -0.204
local terms energy: -51.482606
where:
bonds (distance) C4'-P energy: -14.771
bonds (distance) P-C4' energy: -10.606
flat angles C4'-P-C4' energy: -9.556
flat angles P-C4'-P energy: -6.535
tors. eta vs tors. theta energy: -10.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -88.426937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.426937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.426937 (E_RNA)
where:
Base-Base interactions energy: -25.531
where: short stacking energy: -19.285
Base-Backbone interact. energy: -0.213
local terms energy: -62.683234
where:
bonds (distance) C4'-P energy: -18.442
bonds (distance) P-C4' energy: -12.790
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -6.951
tors. eta vs tors. theta energy: -12.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -81.995359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.995359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.995359 (E_RNA)
where:
Base-Base interactions energy: -21.746
where: short stacking energy: -20.679
Base-Backbone interact. energy: -0.124
local terms energy: -60.124745
where:
bonds (distance) C4'-P energy: -18.846
bonds (distance) P-C4' energy: -10.928
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -13.303
tors. eta vs tors. theta energy: -2.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -263.570647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.570647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.570647 (E_RNA)
where:
Base-Base interactions energy: -171.548
where: short stacking energy: -85.374
Base-Backbone interact. energy: -0.002
local terms energy: -92.020839
where:
bonds (distance) C4'-P energy: -15.573
bonds (distance) P-C4' energy: -17.833
flat angles C4'-P-C4' energy: -18.149
flat angles P-C4'-P energy: -15.306
tors. eta vs tors. theta energy: -25.160
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: 57
Temperature: 0.950000
Total energy: -264.520944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.520944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.520944 (E_RNA)
where:
Base-Base interactions energy: -169.379
where: short stacking energy: -80.486
Base-Backbone interact. energy: -0.069
local terms energy: -95.072953
where:
bonds (distance) C4'-P energy: -18.483
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -19.809
flat angles P-C4'-P energy: -15.170
tors. eta vs tors. theta energy: -25.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -253.853246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.853246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.853246 (E_RNA)
where:
Base-Base interactions energy: -166.412
where: short stacking energy: -76.402
Base-Backbone interact. energy: -0.163
local terms energy: -87.278392
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -17.225
flat angles C4'-P-C4' energy: -17.161
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -26.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -224.668557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.668557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.668557 (E_RNA)
where:
Base-Base interactions energy: -147.786
where: short stacking energy: -65.268
Base-Backbone interact. energy: -0.100
local terms energy: -76.782582
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -19.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -178.882730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.882730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.882730 (E_RNA)
where:
Base-Base interactions energy: -105.114
where: short stacking energy: -60.923
Base-Backbone interact. energy: -0.112
local terms energy: -73.657075
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -15.838
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: 57
Temperature: 1.150000
Total energy: -102.132442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.132442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.132442 (E_RNA)
where:
Base-Base interactions energy: -37.616
where: short stacking energy: -37.616
Base-Backbone interact. energy: -0.266
local terms energy: -64.251189
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -20.616
flat angles C4'-P-C4' energy: -17.198
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -3.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -99.577394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.577394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.577394 (E_RNA)
where:
Base-Base interactions energy: -40.488
where: short stacking energy: -26.295
Base-Backbone interact. energy: -0.089
local terms energy: -58.999769
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -12.657
flat angles C4'-P-C4' energy: -11.090
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: -6.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -82.443621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.443621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.443621 (E_RNA)
where:
Base-Base interactions energy: -30.901
where: short stacking energy: -29.847
Base-Backbone interact. energy: -0.263
local terms energy: -51.279662
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -17.430
flat angles C4'-P-C4' energy: -10.375
flat angles P-C4'-P energy: -7.761
tors. eta vs tors. theta energy: -2.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -86.603548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.603548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.603548 (E_RNA)
where:
Base-Base interactions energy: -34.825
where: short stacking energy: -34.825
Base-Backbone interact. energy: 1.727
local terms energy: -53.506002
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -12.938
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -4.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -84.853955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.853955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.853955 (E_RNA)
where:
Base-Base interactions energy: -30.284
where: short stacking energy: -30.272
Base-Backbone interact. energy: -0.463
local terms energy: -54.106573
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -9.119
flat angles P-C4'-P energy: -9.645
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: 1, replica: 4
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -257.903822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.903822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.903822 (E_RNA)
where:
Base-Base interactions energy: -171.604
where: short stacking energy: -81.394
Base-Backbone interact. energy: -0.041
local terms energy: -86.257926
where:
bonds (distance) C4'-P energy: -14.742
bonds (distance) P-C4' energy: -18.765
flat angles C4'-P-C4' energy: -17.099
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: -22.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -251.258544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.258544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.258544 (E_RNA)
where:
Base-Base interactions energy: -165.088
where: short stacking energy: -81.128
Base-Backbone interact. energy: -0.441
local terms energy: -85.729552
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -15.682
flat angles C4'-P-C4' energy: -20.567
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -23.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -255.479299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.479299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.479299 (E_RNA)
where:
Base-Base interactions energy: -167.858
where: short stacking energy: -84.870
Base-Backbone interact. energy: -0.820
local terms energy: -86.802089
where:
bonds (distance) C4'-P energy: -17.608
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -17.661
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -23.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -238.755791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.755791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.755791 (E_RNA)
where:
Base-Base interactions energy: -159.519
where: short stacking energy: -67.333
Base-Backbone interact. energy: -0.572
local terms energy: -78.664846
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -21.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -177.237430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.237430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.237430 (E_RNA)
where:
Base-Base interactions energy: -98.682
where: short stacking energy: -59.990
Base-Backbone interact. energy: -0.036
local terms energy: -78.519623
where:
bonds (distance) C4'-P energy: -11.756
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -20.261
flat angles P-C4'-P energy: -10.736
tors. eta vs tors. theta energy: -17.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -116.014969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.014969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.014969 (E_RNA)
where:
Base-Base interactions energy: -49.361
where: short stacking energy: -36.167
Base-Backbone interact. energy: -0.042
local terms energy: -66.612555
where:
bonds (distance) C4'-P energy: -14.841
bonds (distance) P-C4' energy: -16.271
flat angles C4'-P-C4' energy: -17.661
flat angles P-C4'-P energy: -9.520
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: 7, replica: 7
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -101.364059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.364059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.364059 (E_RNA)
where:
Base-Base interactions energy: -37.699
where: short stacking energy: -36.393
Base-Backbone interact. energy: -0.108
local terms energy: -63.557039
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -18.318
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: -9.022
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: 10
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -103.799491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.799491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.799491 (E_RNA)
where:
Base-Base interactions energy: -51.113
where: short stacking energy: -24.530
Base-Backbone interact. energy: -0.222
local terms energy: -52.464860
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -10.656
flat angles C4'-P-C4' energy: -10.525
flat angles P-C4'-P energy: -12.967
tors. eta vs tors. theta energy: -6.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -86.361107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.361107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.361107 (E_RNA)
where:
Base-Base interactions energy: -30.301
where: short stacking energy: -30.301
Base-Backbone interact. energy: -0.853
local terms energy: -55.206651
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -16.401
flat angles P-C4'-P energy: -6.728
tors. eta vs tors. theta energy: -0.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -77.782622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.782622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.782622 (E_RNA)
where:
Base-Base interactions energy: -23.767
where: short stacking energy: -22.550
Base-Backbone interact. energy: -0.170
local terms energy: -53.845950
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: 0.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -265.929102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.929102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.929102 (E_RNA)
where:
Base-Base interactions energy: -179.009
where: short stacking energy: -80.261
Base-Backbone interact. energy: -0.019
local terms energy: -86.901236
where:
bonds (distance) C4'-P energy: -18.230
bonds (distance) P-C4' energy: -17.623
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -24.634
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: 5
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -256.033009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.033009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.033009 (E_RNA)
where:
Base-Base interactions energy: -170.766
where: short stacking energy: -85.044
Base-Backbone interact. energy: -0.084
local terms energy: -85.182338
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -12.572
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -13.682
tors. eta vs tors. theta energy: -27.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -253.562284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.562284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.562284 (E_RNA)
where:
Base-Base interactions energy: -162.642
where: short stacking energy: -79.872
Base-Backbone interact. energy: -0.048
local terms energy: -90.872080
where:
bonds (distance) C4'-P energy: -20.152
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -19.342
flat angles P-C4'-P energy: -10.349
tors. eta vs tors. theta energy: -23.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -250.790396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.790396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.790396 (E_RNA)
where:
Base-Base interactions energy: -166.784
where: short stacking energy: -82.568
Base-Backbone interact. energy: -0.011
local terms energy: -83.994762
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -26.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -179.376368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.376368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.376368 (E_RNA)
where:
Base-Base interactions energy: -106.248
where: short stacking energy: -52.397
Base-Backbone interact. energy: -0.509
local terms energy: -72.618622
where:
bonds (distance) C4'-P energy: -18.421
bonds (distance) P-C4' energy: -16.729
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -12.082
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: 6, replica: 1
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -104.772610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.772610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.772610 (E_RNA)
where:
Base-Base interactions energy: -43.517
where: short stacking energy: -43.517
Base-Backbone interact. energy: 0.160
local terms energy: -61.416168
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -4.425
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: 7
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -102.248355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.248355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.248355 (E_RNA)
where:
Base-Base interactions energy: -49.280
where: short stacking energy: -37.085
Base-Backbone interact. energy: -0.317
local terms energy: -52.651990
where:
bonds (distance) C4'-P energy: -19.799
bonds (distance) P-C4' energy: -16.556
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -5.211
tors. eta vs tors. theta energy: 0.867
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: 59
Temperature: 1.250000
Total energy: -106.679758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.679758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.679758 (E_RNA)
where:
Base-Base interactions energy: -44.367
where: short stacking energy: -40.388
Base-Backbone interact. energy: -0.163
local terms energy: -62.150009
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -14.521
flat angles C4'-P-C4' energy: -19.043
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -6.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -96.599389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.599389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.599389 (E_RNA)
where:
Base-Base interactions energy: -43.235
where: short stacking energy: -32.070
Base-Backbone interact. energy: -0.205
local terms energy: -53.159501
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -6.587
flat angles C4'-P-C4' energy: -17.019
flat angles P-C4'-P energy: -11.550
tors. eta vs tors. theta energy: -1.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -86.437741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.437741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.437741 (E_RNA)
where:
Base-Base interactions energy: -38.029
where: short stacking energy: -34.015
Base-Backbone interact. energy: -0.362
local terms energy: -48.046781
where:
bonds (distance) C4'-P energy: -10.409
bonds (distance) P-C4' energy: -11.217
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -2.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -272.036275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.036275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.036275 (E_RNA)
where:
Base-Base interactions energy: -179.547
where: short stacking energy: -84.197
Base-Backbone interact. energy: 0.080
local terms energy: -92.569865
where:
bonds (distance) C4'-P energy: -16.733
bonds (distance) P-C4' energy: -17.050
flat angles C4'-P-C4' energy: -18.943
flat angles P-C4'-P energy: -14.089
tors. eta vs tors. theta energy: -25.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -265.527216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.527216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.527216 (E_RNA)
where:
Base-Base interactions energy: -173.066
where: short stacking energy: -82.720
Base-Backbone interact. energy: -0.696
local terms energy: -91.765268
where:
bonds (distance) C4'-P energy: -18.644
bonds (distance) P-C4' energy: -18.891
flat angles C4'-P-C4' energy: -17.801
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -27.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -256.602557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.602557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.602557 (E_RNA)
where:
Base-Base interactions energy: -167.018
where: short stacking energy: -80.858
Base-Backbone interact. energy: -0.024
local terms energy: -89.560721
where:
bonds (distance) C4'-P energy: -18.633
bonds (distance) P-C4' energy: -12.831
flat angles C4'-P-C4' energy: -17.747
flat angles P-C4'-P energy: -13.853
tors. eta vs tors. theta energy: -26.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -248.439047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.439047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.439047 (E_RNA)
where:
Base-Base interactions energy: -165.261
where: short stacking energy: -77.114
Base-Backbone interact. energy: -0.155
local terms energy: -83.022200
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -17.370
flat angles C4'-P-C4' energy: -18.188
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -25.052
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: 8
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -144.954314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.954314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.954314 (E_RNA)
where:
Base-Base interactions energy: -78.310
where: short stacking energy: -42.405
Base-Backbone interact. energy: -0.451
local terms energy: -66.193684
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -17.447
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -10.645
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: 6, replica: 1
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -97.659915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.659915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.659915 (E_RNA)
where:
Base-Base interactions energy: -37.984
where: short stacking energy: -37.230
Base-Backbone interact. energy: -1.414
local terms energy: -58.261972
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -18.686
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -4.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -100.736557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.736557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.736557 (E_RNA)
where:
Base-Base interactions energy: -41.559
where: short stacking energy: -30.470
Base-Backbone interact. energy: 0.519
local terms energy: -59.696636
where:
bonds (distance) C4'-P energy: -15.673
bonds (distance) P-C4' energy: -18.123
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: 0.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -102.355977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.355977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.355977 (E_RNA)
where:
Base-Base interactions energy: -56.986
where: short stacking energy: -32.492
Base-Backbone interact. energy: -0.310
local terms energy: -45.060137
where:
bonds (distance) C4'-P energy: -5.463
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -12.357
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -2.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -98.618574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.618574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.618574 (E_RNA)
where:
Base-Base interactions energy: -43.471
where: short stacking energy: -38.131
Base-Backbone interact. energy: -0.076
local terms energy: -55.072174
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -12.475
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -7.462
tors. eta vs tors. theta energy: -7.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -84.509318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.509318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.509318 (E_RNA)
where:
Base-Base interactions energy: -36.504
where: short stacking energy: -35.387
Base-Backbone interact. energy: -0.189
local terms energy: -47.817013
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -12.302
flat angles C4'-P-C4' energy: -17.122
flat angles P-C4'-P energy: -1.214
tors. eta vs tors. theta energy: -3.855
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: 61
Temperature: 0.900000
Total energy: -268.483893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.483893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.483893 (E_RNA)
where:
Base-Base interactions energy: -176.293
where: short stacking energy: -81.876
Base-Backbone interact. energy: -0.098
local terms energy: -92.092268
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -20.622
flat angles P-C4'-P energy: -12.622
tors. eta vs tors. theta energy: -26.288
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: 61
Temperature: 0.950000
Total energy: -267.947001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.947001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.947001 (E_RNA)
where:
Base-Base interactions energy: -169.916
where: short stacking energy: -79.832
Base-Backbone interact. energy: -0.623
local terms energy: -97.408086
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -18.790
flat angles C4'-P-C4' energy: -19.779
flat angles P-C4'-P energy: -13.796
tors. eta vs tors. theta energy: -28.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -254.832873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.832873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.832873 (E_RNA)
where:
Base-Base interactions energy: -164.076
where: short stacking energy: -82.549
Base-Backbone interact. energy: -0.001
local terms energy: -90.755978
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -18.935
flat angles C4'-P-C4' energy: -18.595
flat angles P-C4'-P energy: -13.848
tors. eta vs tors. theta energy: -24.236
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: 9
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -244.647303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.647303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.647303 (E_RNA)
where:
Base-Base interactions energy: -162.421
where: short stacking energy: -79.541
Base-Backbone interact. energy: -0.068
local terms energy: -82.157842
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -17.950
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -26.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -173.994870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.994870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.994870 (E_RNA)
where:
Base-Base interactions energy: -111.968
where: short stacking energy: -63.129
Base-Backbone interact. energy: 0.159
local terms energy: -62.185968
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -6.497
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: 6, replica: 6
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -114.559259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.559259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.559259 (E_RNA)
where:
Base-Base interactions energy: -63.838
where: short stacking energy: -29.024
Base-Backbone interact. energy: 0.539
local terms energy: -51.260106
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -13.113
flat angles P-C4'-P energy: -4.244
tors. eta vs tors. theta energy: -5.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -97.372152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.372152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.372152 (E_RNA)
where:
Base-Base interactions energy: -43.704
where: short stacking energy: -37.620
Base-Backbone interact. energy: 0.007
local terms energy: -53.675383
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -10.419
flat angles P-C4'-P energy: -11.940
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: 8, replica: 3
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -90.779500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.779500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.779500 (E_RNA)
where:
Base-Base interactions energy: -34.718
where: short stacking energy: -30.275
Base-Backbone interact. energy: -0.052
local terms energy: -56.009893
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -12.727
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -4.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -86.067906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.067906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.067906 (E_RNA)
where:
Base-Base interactions energy: -34.216
where: short stacking energy: -34.216
Base-Backbone interact. energy: -0.095
local terms energy: -51.756869
where:
bonds (distance) C4'-P energy: -15.504
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -9.840
flat angles P-C4'-P energy: -6.713
tors. eta vs tors. theta energy: -4.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -92.684918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.684918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.684918 (E_RNA)
where:
Base-Base interactions energy: -34.678
where: short stacking energy: -31.857
Base-Backbone interact. energy: -0.392
local terms energy: -57.614594
where:
bonds (distance) C4'-P energy: -11.255
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -5.275
flat angles P-C4'-P energy: -14.137
tors. eta vs tors. theta energy: -8.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -264.681494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.681494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.681494 (E_RNA)
where:
Base-Base interactions energy: -171.391
where: short stacking energy: -89.342
Base-Backbone interact. energy: -0.596
local terms energy: -92.694661
where:
bonds (distance) C4'-P energy: -17.784
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -19.205
flat angles P-C4'-P energy: -13.741
tors. eta vs tors. theta energy: -25.724
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: 2
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -260.525044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.525044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.525044 (E_RNA)
where:
Base-Base interactions energy: -171.096
where: short stacking energy: -85.665
Base-Backbone interact. energy: 1.198
local terms energy: -90.627531
where:
bonds (distance) C4'-P energy: -16.614
bonds (distance) P-C4' energy: -16.744
flat angles C4'-P-C4' energy: -19.050
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -26.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -247.754607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.754607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.754607 (E_RNA)
where:
Base-Base interactions energy: -163.306
where: short stacking energy: -76.023
Base-Backbone interact. energy: -0.005
local terms energy: -84.443539
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -17.205
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -12.717
tors. eta vs tors. theta energy: -22.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -248.084998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.084998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.084998 (E_RNA)
where:
Base-Base interactions energy: -161.998
where: short stacking energy: -78.319
Base-Backbone interact. energy: -0.103
local terms energy: -85.984104
where:
bonds (distance) C4'-P energy: -10.655
bonds (distance) P-C4' energy: -18.813
flat angles C4'-P-C4' energy: -17.288
flat angles P-C4'-P energy: -12.739
tors. eta vs tors. theta energy: -26.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -154.750230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.750230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.750230 (E_RNA)
where:
Base-Base interactions energy: -89.749
where: short stacking energy: -54.932
Base-Backbone interact. energy: -1.159
local terms energy: -63.841660
where:
bonds (distance) C4'-P energy: -17.238
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -17.574
flat angles P-C4'-P energy: -5.129
tors. eta vs tors. theta energy: -9.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -106.449207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.449207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.449207 (E_RNA)
where:
Base-Base interactions energy: -43.743
where: short stacking energy: -38.437
Base-Backbone interact. energy: -0.730
local terms energy: -61.976326
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -18.230
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -12.719
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: 7, replica: 3
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -98.325897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.325897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.325897 (E_RNA)
where:
Base-Base interactions energy: -39.454
where: short stacking energy: -27.128
Base-Backbone interact. energy: -0.140
local terms energy: -58.732123
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -18.698
flat angles C4'-P-C4' energy: -17.128
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: 0.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -94.703717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.703717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.703717 (E_RNA)
where:
Base-Base interactions energy: -36.472
where: short stacking energy: -34.031
Base-Backbone interact. energy: 0.011
local terms energy: -58.243362
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -12.747
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -1.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -89.947154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.947154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.947154 (E_RNA)
where:
Base-Base interactions energy: -40.649
where: short stacking energy: -28.805
Base-Backbone interact. energy: -0.063
local terms energy: -49.235165
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -16.905
flat angles C4'-P-C4' energy: -11.288
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: 2.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -83.291721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.291721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.291721 (E_RNA)
where:
Base-Base interactions energy: -29.035
where: short stacking energy: -29.035
Base-Backbone interact. energy: -0.035
local terms energy: -54.221556
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: 3.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -270.024107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.024107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.024107 (E_RNA)
where:
Base-Base interactions energy: -175.568
where: short stacking energy: -79.575
Base-Backbone interact. energy: -0.026
local terms energy: -94.430400
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -19.647
flat angles C4'-P-C4' energy: -18.205
flat angles P-C4'-P energy: -15.303
tors. eta vs tors. theta energy: -23.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -263.688212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.688212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.688212 (E_RNA)
where:
Base-Base interactions energy: -174.256
where: short stacking energy: -81.741
Base-Backbone interact. energy: -0.087
local terms energy: -89.345147
where:
bonds (distance) C4'-P energy: -18.524
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -15.028
tors. eta vs tors. theta energy: -25.285
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: 3, replica: 5
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -258.559716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.559716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.559716 (E_RNA)
where:
Base-Base interactions energy: -168.267
where: short stacking energy: -81.381
Base-Backbone interact. energy: -0.527
local terms energy: -89.765732
where:
bonds (distance) C4'-P energy: -18.383
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: -25.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -250.247584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.247584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.247584 (E_RNA)
where:
Base-Base interactions energy: -166.298
where: short stacking energy: -81.141
Base-Backbone interact. energy: -0.027
local terms energy: -83.922408
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -18.787
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -24.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -171.554057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.554057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.554057 (E_RNA)
where:
Base-Base interactions energy: -96.577
where: short stacking energy: -59.558
Base-Backbone interact. energy: 0.369
local terms energy: -75.346034
where:
bonds (distance) C4'-P energy: -15.290
bonds (distance) P-C4' energy: -15.866
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -10.562
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: 6, replica: 3
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -102.209111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.209111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.209111 (E_RNA)
where:
Base-Base interactions energy: -52.007
where: short stacking energy: -38.218
Base-Backbone interact. energy: 0.786
local terms energy: -50.988447
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -6.736
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -5.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -102.758195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.758195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.758195 (E_RNA)
where:
Base-Base interactions energy: -38.119
where: short stacking energy: -29.056
Base-Backbone interact. energy: -0.111
local terms energy: -64.527324
where:
bonds (distance) C4'-P energy: -17.680
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -7.379
tors. eta vs tors. theta energy: -8.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -98.819596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.819596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.819596 (E_RNA)
where:
Base-Base interactions energy: -39.843
where: short stacking energy: -30.564
Base-Backbone interact. energy: -0.148
local terms energy: -58.828434
where:
bonds (distance) C4'-P energy: -11.916
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -9.885
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -9.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -91.580031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.580031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.580031 (E_RNA)
where:
Base-Base interactions energy: -37.082
where: short stacking energy: -32.398
Base-Backbone interact. energy: -0.108
local terms energy: -54.390638
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -9.453
flat angles C4'-P-C4' energy: -19.577
flat angles P-C4'-P energy: -5.463
tors. eta vs tors. theta energy: -3.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -83.223674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.223674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.223674 (E_RNA)
where:
Base-Base interactions energy: -27.599
where: short stacking energy: -12.829
Base-Backbone interact. energy: -0.169
local terms energy: -55.455538
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -3.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -264.380249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.380249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.380249 (E_RNA)
where:
Base-Base interactions energy: -168.764
where: short stacking energy: -85.618
Base-Backbone interact. energy: -0.082
local terms energy: -95.534498
where:
bonds (distance) C4'-P energy: -20.491
bonds (distance) P-C4' energy: -18.957
flat angles C4'-P-C4' energy: -19.161
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -26.298
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: 2, replica: 4
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -254.038334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.038334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.038334 (E_RNA)
where:
Base-Base interactions energy: -165.697
where: short stacking energy: -78.177
Base-Backbone interact. energy: 0.518
local terms energy: -88.858716
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -14.773
flat angles C4'-P-C4' energy: -19.228
flat angles P-C4'-P energy: -14.232
tors. eta vs tors. theta energy: -26.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -252.149451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.149451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.149451 (E_RNA)
where:
Base-Base interactions energy: -164.901
where: short stacking energy: -76.680
Base-Backbone interact. energy: -0.126
local terms energy: -87.122127
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -18.090
flat angles C4'-P-C4' energy: -18.336
flat angles P-C4'-P energy: -10.085
tors. eta vs tors. theta energy: -26.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -230.793441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.793441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.793441 (E_RNA)
where:
Base-Base interactions energy: -148.643
where: short stacking energy: -68.305
Base-Backbone interact. energy: -0.090
local terms energy: -82.060176
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -18.651
flat angles P-C4'-P energy: -11.006
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: 64
Temperature: 1.100000
Total energy: -193.735404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.735404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.735404 (E_RNA)
where:
Base-Base interactions energy: -118.694
where: short stacking energy: -64.837
Base-Backbone interact. energy: -0.014
local terms energy: -75.027904
where:
bonds (distance) C4'-P energy: -17.807
bonds (distance) P-C4' energy: -19.263
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -9.393
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: 6, replica: 3
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -100.504657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.504657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.504657 (E_RNA)
where:
Base-Base interactions energy: -40.431
where: short stacking energy: -37.662
Base-Backbone interact. energy: 1.250
local terms energy: -61.323257
where:
bonds (distance) C4'-P energy: -14.143
bonds (distance) P-C4' energy: -17.751
flat angles C4'-P-C4' energy: -19.543
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: 1.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -100.825624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.825624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.825624 (E_RNA)
where:
Base-Base interactions energy: -49.634
where: short stacking energy: -28.651
Base-Backbone interact. energy: -0.402
local terms energy: -50.789790
where:
bonds (distance) C4'-P energy: -14.614
bonds (distance) P-C4' energy: -12.156
flat angles C4'-P-C4' energy: -12.026
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -2.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -100.740502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.740502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.740502 (E_RNA)
where:
Base-Base interactions energy: -35.058
where: short stacking energy: -24.687
Base-Backbone interact. energy: -0.037
local terms energy: -65.644785
where:
bonds (distance) C4'-P energy: -12.963
bonds (distance) P-C4' energy: -16.962
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -12.968
tors. eta vs tors. theta energy: -7.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -91.387033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.387033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.387033 (E_RNA)
where:
Base-Base interactions energy: -31.597
where: short stacking energy: -26.318
Base-Backbone interact. energy: -0.168
local terms energy: -59.622128
where:
bonds (distance) C4'-P energy: -16.915
bonds (distance) P-C4' energy: -20.588
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -1.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -85.280953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.280953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.280953 (E_RNA)
where:
Base-Base interactions energy: -28.945
where: short stacking energy: -22.575
Base-Backbone interact. energy: -0.335
local terms energy: -56.001079
where:
bonds (distance) C4'-P energy: -13.517
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -13.274
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: 1, replica: 2
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -269.391097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.391097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.391097 (E_RNA)
where:
Base-Base interactions energy: -175.589
where: short stacking energy: -84.133
Base-Backbone interact. energy: -0.026
local terms energy: -93.775797
where:
bonds (distance) C4'-P energy: -18.181
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -19.057
flat angles P-C4'-P energy: -12.204
tors. eta vs tors. theta energy: -27.322
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: 65
Temperature: 0.950000
Total energy: -265.384384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.384384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.384384 (E_RNA)
where:
Base-Base interactions energy: -174.368
where: short stacking energy: -84.551
Base-Backbone interact. energy: 0.557
local terms energy: -91.573213
where:
bonds (distance) C4'-P energy: -17.614
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -18.291
flat angles P-C4'-P energy: -14.185
tors. eta vs tors. theta energy: -26.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -247.805640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.805640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.805640 (E_RNA)
where:
Base-Base interactions energy: -168.375
where: short stacking energy: -71.654
Base-Backbone interact. energy: 0.866
local terms energy: -80.296246
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -17.737
flat angles P-C4'-P energy: -13.655
tors. eta vs tors. theta energy: -18.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -258.467844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.467844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.467844 (E_RNA)
where:
Base-Base interactions energy: -167.305
where: short stacking energy: -83.065
Base-Backbone interact. energy: -0.004
local terms energy: -91.158945
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -14.809
tors. eta vs tors. theta energy: -26.154
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: 65
Temperature: 1.100000
Total energy: -155.094792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.094792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.094792 (E_RNA)
where:
Base-Base interactions energy: -90.033
where: short stacking energy: -38.148
Base-Backbone interact. energy: -0.397
local terms energy: -64.664572
where:
bonds (distance) C4'-P energy: -12.697
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -17.117
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -9.478
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: 3
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -94.253931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.253931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.253931 (E_RNA)
where:
Base-Base interactions energy: -31.274
where: short stacking energy: -29.289
Base-Backbone interact. energy: 1.250
local terms energy: -64.230879
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -15.824
flat angles P-C4'-P energy: -11.921
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: 7, replica: 10
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -106.969595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.969595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.969595 (E_RNA)
where:
Base-Base interactions energy: -44.407
where: short stacking energy: -16.908
Base-Backbone interact. energy: -0.501
local terms energy: -62.061280
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -18.681
flat angles C4'-P-C4' energy: -16.834
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: 1.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -87.446074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.446074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.446074 (E_RNA)
where:
Base-Base interactions energy: -37.113
where: short stacking energy: -30.523
Base-Backbone interact. energy: -0.302
local terms energy: -50.030754
where:
bonds (distance) C4'-P energy: -12.038
bonds (distance) P-C4' energy: -16.000
flat angles C4'-P-C4' energy: -10.809
flat angles P-C4'-P energy: -10.522
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: 9, replica: 6
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -100.269038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.269038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.269038 (E_RNA)
where:
Base-Base interactions energy: -40.906
where: short stacking energy: -30.717
Base-Backbone interact. energy: -0.290
local terms energy: -59.072834
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -18.084
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -0.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -75.769532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.769532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.769532 (E_RNA)
where:
Base-Base interactions energy: -20.181
where: short stacking energy: -13.596
Base-Backbone interact. energy: -0.710
local terms energy: -54.878232
where:
bonds (distance) C4'-P energy: -15.409
bonds (distance) P-C4' energy: -15.027
flat angles C4'-P-C4' energy: -17.789
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: 3.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -262.258901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.258901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.258901 (E_RNA)
where:
Base-Base interactions energy: -173.943
where: short stacking energy: -83.936
Base-Backbone interact. energy: -0.174
local terms energy: -88.141657
where:
bonds (distance) C4'-P energy: -16.840
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -18.412
flat angles P-C4'-P energy: -14.719
tors. eta vs tors. theta energy: -22.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -245.461420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.461420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.461420 (E_RNA)
where:
Base-Base interactions energy: -156.595
where: short stacking energy: -69.670
Base-Backbone interact. energy: -0.191
local terms energy: -88.674732
where:
bonds (distance) C4'-P energy: -17.899
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -19.523
flat angles P-C4'-P energy: -14.225
tors. eta vs tors. theta energy: -22.834
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: 9
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -240.405835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.405835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.405835 (E_RNA)
where:
Base-Base interactions energy: -152.544
where: short stacking energy: -70.094
Base-Backbone interact. energy: -0.596
local terms energy: -87.266528
where:
bonds (distance) C4'-P energy: -19.912
bonds (distance) P-C4' energy: -12.450
flat angles C4'-P-C4' energy: -18.610
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -24.324
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: 5
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -241.435903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.435903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.435903 (E_RNA)
where:
Base-Base interactions energy: -155.613
where: short stacking energy: -80.317
Base-Backbone interact. energy: -0.094
local terms energy: -85.728188
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -21.074
flat angles P-C4'-P energy: -7.037
tors. eta vs tors. theta energy: -26.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -165.894682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.894682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.894682 (E_RNA)
where:
Base-Base interactions energy: -92.266
where: short stacking energy: -55.950
Base-Backbone interact. energy: -0.675
local terms energy: -72.953817
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -15.460
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -12.838
tors. eta vs tors. theta energy: -16.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -106.611859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.611859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.611859 (E_RNA)
where:
Base-Base interactions energy: -45.384
where: short stacking energy: -45.384
Base-Backbone interact. energy: 0.860
local terms energy: -62.087680
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -5.855
tors. eta vs tors. theta energy: -10.846
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: 1
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -101.059656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.059656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.059656 (E_RNA)
where:
Base-Base interactions energy: -33.648
where: short stacking energy: -33.648
Base-Backbone interact. energy: -0.019
local terms energy: -67.392794
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -18.494
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -5.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -96.079671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.079671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.079671 (E_RNA)
where:
Base-Base interactions energy: -34.038
where: short stacking energy: -22.253
Base-Backbone interact. energy: -0.176
local terms energy: -61.866352
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -20.659
flat angles C4'-P-C4' energy: -10.864
flat angles P-C4'-P energy: -7.227
tors. eta vs tors. theta energy: -8.157
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: 66
Temperature: 1.300000
Total energy: -97.341852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.341852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.341852 (E_RNA)
where:
Base-Base interactions energy: -35.744
where: short stacking energy: -35.744
Base-Backbone interact. energy: -0.249
local terms energy: -61.348579
where:
bonds (distance) C4'-P energy: -10.133
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -9.264
tors. eta vs tors. theta energy: -10.090
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: 66
Temperature: 1.350000
Total energy: -81.745848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.745848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.745848 (E_RNA)
where:
Base-Base interactions energy: -31.318
where: short stacking energy: -15.629
Base-Backbone interact. energy: -0.613
local terms energy: -49.814843
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -13.754
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -0.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -265.345137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.345137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.345137 (E_RNA)
where:
Base-Base interactions energy: -173.896
where: short stacking energy: -83.702
Base-Backbone interact. energy: -0.028
local terms energy: -91.420846
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -17.372
flat angles C4'-P-C4' energy: -20.637
flat angles P-C4'-P energy: -13.356
tors. eta vs tors. theta energy: -24.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -255.737627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.737627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.737627 (E_RNA)
where:
Base-Base interactions energy: -167.264
where: short stacking energy: -74.009
Base-Backbone interact. energy: -0.416
local terms energy: -88.057668
where:
bonds (distance) C4'-P energy: -18.081
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -20.318
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -24.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -222.032053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.032053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.032053 (E_RNA)
where:
Base-Base interactions energy: -141.028
where: short stacking energy: -67.157
Base-Backbone interact. energy: -0.066
local terms energy: -80.938258
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -17.971
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -12.942
tors. eta vs tors. theta energy: -17.330
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: 5
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -242.405784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.405784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.405784 (E_RNA)
where:
Base-Base interactions energy: -161.305
where: short stacking energy: -75.724
Base-Backbone interact. energy: -0.055
local terms energy: -81.046218
where:
bonds (distance) C4'-P energy: -18.441
bonds (distance) P-C4' energy: -19.306
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -4.817
tors. eta vs tors. theta energy: -24.147
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: 8
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -171.061888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.061888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.061888 (E_RNA)
where:
Base-Base interactions energy: -99.493
where: short stacking energy: -55.329
Base-Backbone interact. energy: -0.103
local terms energy: -71.465866
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -17.797
flat angles P-C4'-P energy: -10.206
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: 6, replica: 1
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -102.680503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.680503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.680503 (E_RNA)
where:
Base-Base interactions energy: -34.742
where: short stacking energy: -33.923
Base-Backbone interact. energy: -0.093
local terms energy: -67.844873
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -20.855
flat angles C4'-P-C4' energy: -18.260
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -1.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -96.083013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.083013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.083013 (E_RNA)
where:
Base-Base interactions energy: -44.354
where: short stacking energy: -23.346
Base-Backbone interact. energy: -0.142
local terms energy: -51.586638
where:
bonds (distance) C4'-P energy: -13.181
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -15.482
flat angles P-C4'-P energy: -5.361
tors. eta vs tors. theta energy: -1.611
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: 7
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -89.439594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.439594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.439594 (E_RNA)
where:
Base-Base interactions energy: -38.253
where: short stacking energy: -16.292
Base-Backbone interact. energy: 1.751
local terms energy: -52.937374
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -16.542
flat angles C4'-P-C4' energy: -10.997
flat angles P-C4'-P energy: -9.016
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: 9, replica: 10
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -95.266692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.266692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.266692 (E_RNA)
where:
Base-Base interactions energy: -43.085
where: short stacking energy: -41.348
Base-Backbone interact. energy: -0.308
local terms energy: -51.874174
where:
bonds (distance) C4'-P energy: -12.127
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -9.039
flat angles P-C4'-P energy: -13.329
tors. eta vs tors. theta energy: -6.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -89.475920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.475920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.475920 (E_RNA)
where:
Base-Base interactions energy: -32.515
where: short stacking energy: -29.258
Base-Backbone interact. energy: -0.631
local terms energy: -56.329667
where:
bonds (distance) C4'-P energy: -8.668
bonds (distance) P-C4' energy: -20.800
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -2.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -268.008490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.008490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.008490 (E_RNA)
where:
Base-Base interactions energy: -176.914
where: short stacking energy: -72.859
Base-Backbone interact. energy: -0.105
local terms energy: -90.989206
where:
bonds (distance) C4'-P energy: -16.177
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -20.068
flat angles P-C4'-P energy: -13.731
tors. eta vs tors. theta energy: -24.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -268.914987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.914987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.914987 (E_RNA)
where:
Base-Base interactions energy: -176.592
where: short stacking energy: -86.972
Base-Backbone interact. energy: -0.046
local terms energy: -92.277492
where:
bonds (distance) C4'-P energy: -16.849
bonds (distance) P-C4' energy: -16.809
flat angles C4'-P-C4' energy: -19.008
flat angles P-C4'-P energy: -12.851
tors. eta vs tors. theta energy: -26.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -250.011347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.011347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.011347 (E_RNA)
where:
Base-Base interactions energy: -167.552
where: short stacking energy: -80.862
Base-Backbone interact. energy: -0.101
local terms energy: -82.357513
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -9.019
tors. eta vs tors. theta energy: -26.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -249.100203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.100203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.100203 (E_RNA)
where:
Base-Base interactions energy: -169.213
where: short stacking energy: -76.152
Base-Backbone interact. energy: 0.345
local terms energy: -80.231867
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -17.908
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -21.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -136.377448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.377448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.377448 (E_RNA)
where:
Base-Base interactions energy: -82.282
where: short stacking energy: -54.329
Base-Backbone interact. energy: -0.028
local terms energy: -54.067564
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -15.556
flat angles C4'-P-C4' energy: -11.646
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -6.410
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: 6, replica: 8
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -155.442777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.442777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.442777 (E_RNA)
where:
Base-Base interactions energy: -85.415
where: short stacking energy: -57.290
Base-Backbone interact. energy: -0.164
local terms energy: -69.863856
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -19.708
flat angles C4'-P-C4' energy: -11.489
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -13.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -117.524373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.524373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.524373 (E_RNA)
where:
Base-Base interactions energy: -61.156
where: short stacking energy: -31.749
Base-Backbone interact. energy: -0.371
local terms energy: -55.997064
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -17.852
flat angles C4'-P-C4' energy: -11.667
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -0.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -88.922091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.922091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.922091 (E_RNA)
where:
Base-Base interactions energy: -27.275
where: short stacking energy: -27.275
Base-Backbone interact. energy: -0.125
local terms energy: -61.521791
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -9.111
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: 10
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -100.456924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.456924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.456924 (E_RNA)
where:
Base-Base interactions energy: -54.808
where: short stacking energy: -37.142
Base-Backbone interact. energy: -0.160
local terms energy: -45.488410
where:
bonds (distance) C4'-P energy: -8.108
bonds (distance) P-C4' energy: -11.548
flat angles C4'-P-C4' energy: -11.795
flat angles P-C4'-P energy: -11.993
tors. eta vs tors. theta energy: -2.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -83.816315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.816315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.816315 (E_RNA)
where:
Base-Base interactions energy: -32.589
where: short stacking energy: -32.589
Base-Backbone interact. energy: 0.062
local terms energy: -51.289321
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -11.476
flat angles C4'-P-C4' energy: -9.914
flat angles P-C4'-P energy: -15.207
tors. eta vs tors. theta energy: -2.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -265.918786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.918786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.918786 (E_RNA)
where:
Base-Base interactions energy: -172.931
where: short stacking energy: -77.831
Base-Backbone interact. energy: -0.100
local terms energy: -92.887933
where:
bonds (distance) C4'-P energy: -18.276
bonds (distance) P-C4' energy: -16.591
flat angles C4'-P-C4' energy: -19.497
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -26.771
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: 9
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -256.087334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.087334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.087334 (E_RNA)
where:
Base-Base interactions energy: -169.689
where: short stacking energy: -78.695
Base-Backbone interact. energy: -0.037
local terms energy: -86.361474
where:
bonds (distance) C4'-P energy: -14.203
bonds (distance) P-C4' energy: -18.431
flat angles C4'-P-C4' energy: -17.487
flat angles P-C4'-P energy: -13.427
tors. eta vs tors. theta energy: -22.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -244.896765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.896765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.896765 (E_RNA)
where:
Base-Base interactions energy: -157.123
where: short stacking energy: -80.136
Base-Backbone interact. energy: -0.046
local terms energy: -87.727625
where:
bonds (distance) C4'-P energy: -18.040
bonds (distance) P-C4' energy: -15.229
flat angles C4'-P-C4' energy: -18.428
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -24.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -248.816305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.816305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.816305 (E_RNA)
where:
Base-Base interactions energy: -168.866
where: short stacking energy: -82.275
Base-Backbone interact. energy: -0.035
local terms energy: -79.915288
where:
bonds (distance) C4'-P energy: -8.870
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -13.344
tors. eta vs tors. theta energy: -25.836
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: 1
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -139.508467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.508467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.508467 (E_RNA)
where:
Base-Base interactions energy: -68.728
where: short stacking energy: -45.912
Base-Backbone interact. energy: -0.259
local terms energy: -70.521140
where:
bonds (distance) C4'-P energy: -19.264
bonds (distance) P-C4' energy: -16.902
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -14.958
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: 6, replica: 8
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -132.523424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.523424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.523424 (E_RNA)
where:
Base-Base interactions energy: -68.741
where: short stacking energy: -43.748
Base-Backbone interact. energy: 0.309
local terms energy: -64.090574
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -19.543
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -6.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -87.287671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.287671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.287671 (E_RNA)
where:
Base-Base interactions energy: -42.465
where: short stacking energy: -37.523
Base-Backbone interact. energy: -0.370
local terms energy: -44.453145
where:
bonds (distance) C4'-P energy: -10.538
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -7.422
tors. eta vs tors. theta energy: 2.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -88.952863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.952863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.952863 (E_RNA)
where:
Base-Base interactions energy: -35.527
where: short stacking energy: -35.527
Base-Backbone interact. energy: -0.208
local terms energy: -53.217792
where:
bonds (distance) C4'-P energy: -9.205
bonds (distance) P-C4' energy: -19.991
flat angles C4'-P-C4' energy: -12.278
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -2.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -82.289244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.289244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.289244 (E_RNA)
where:
Base-Base interactions energy: -29.465
where: short stacking energy: -17.149
Base-Backbone interact. energy: -0.645
local terms energy: -52.179109
where:
bonds (distance) C4'-P energy: -9.687
bonds (distance) P-C4' energy: -19.647
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: 2.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -87.991412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.991412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.991412 (E_RNA)
where:
Base-Base interactions energy: -32.648
where: short stacking energy: -28.627
Base-Backbone interact. energy: 0.295
local terms energy: -55.638759
where:
bonds (distance) C4'-P energy: -11.924
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -4.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -268.156954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.156954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.156954 (E_RNA)
where:
Base-Base interactions energy: -178.899
where: short stacking energy: -83.742
Base-Backbone interact. energy: -0.027
local terms energy: -89.230437
where:
bonds (distance) C4'-P energy: -17.369
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -16.828
flat angles P-C4'-P energy: -14.920
tors. eta vs tors. theta energy: -24.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -247.141240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.141240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.141240 (E_RNA)
where:
Base-Base interactions energy: -156.979
where: short stacking energy: -76.711
Base-Backbone interact. energy: -0.603
local terms energy: -89.558778
where:
bonds (distance) C4'-P energy: -16.666
bonds (distance) P-C4' energy: -20.193
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -25.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -246.425963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.425963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.425963 (E_RNA)
where:
Base-Base interactions energy: -166.173
where: short stacking energy: -76.385
Base-Backbone interact. energy: -0.072
local terms energy: -80.180746
where:
bonds (distance) C4'-P energy: -12.001
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -13.805
tors. eta vs tors. theta energy: -22.466
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: 5
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -244.945484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.945484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.945484 (E_RNA)
where:
Base-Base interactions energy: -169.481
where: short stacking energy: -76.049
Base-Backbone interact. energy: -0.083
local terms energy: -75.381580
where:
bonds (distance) C4'-P energy: -10.069
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -15.224
tors. eta vs tors. theta energy: -21.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -152.458055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.458055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.458055 (E_RNA)
where:
Base-Base interactions energy: -86.488
where: short stacking energy: -49.893
Base-Backbone interact. energy: -0.113
local terms energy: -65.857367
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -6.050
tors. eta vs tors. theta energy: -11.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -138.319261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.319261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.319261 (E_RNA)
where:
Base-Base interactions energy: -76.140
where: short stacking energy: -38.934
Base-Backbone interact. energy: -0.024
local terms energy: -62.154492
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -15.872
flat angles C4'-P-C4' energy: -15.918
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -7.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -89.113701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.113701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.113701 (E_RNA)
where:
Base-Base interactions energy: -36.221
where: short stacking energy: -19.838
Base-Backbone interact. energy: -0.498
local terms energy: -52.394015
where:
bonds (distance) C4'-P energy: -19.497
bonds (distance) P-C4' energy: -18.931
flat angles C4'-P-C4' energy: -8.275
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: 1.999
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: 7
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -88.463172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.463172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.463172 (E_RNA)
where:
Base-Base interactions energy: -26.123
where: short stacking energy: -26.123
Base-Backbone interact. energy: -0.156
local terms energy: -62.184275
where:
bonds (distance) C4'-P energy: -12.709
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: -6.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -86.747306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.747306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.747306 (E_RNA)
where:
Base-Base interactions energy: -41.161
where: short stacking energy: -15.568
Base-Backbone interact. energy: -0.330
local terms energy: -45.256994
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -17.486
flat angles C4'-P-C4' energy: -11.764
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: 5.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -71.073210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.073210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.073210 (E_RNA)
where:
Base-Base interactions energy: -27.903
where: short stacking energy: -20.116
Base-Backbone interact. energy: -0.960
local terms energy: -42.210648
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -18.480
flat angles C4'-P-C4' energy: -10.965
flat angles P-C4'-P energy: 1.830
tors. eta vs tors. theta energy: 1.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -265.617344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.617344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.617344 (E_RNA)
where:
Base-Base interactions energy: -173.281
where: short stacking energy: -74.820
Base-Backbone interact. energy: -0.021
local terms energy: -92.314465
where:
bonds (distance) C4'-P energy: -17.261
bonds (distance) P-C4' energy: -16.261
flat angles C4'-P-C4' energy: -17.486
flat angles P-C4'-P energy: -13.478
tors. eta vs tors. theta energy: -27.828
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: 71
Temperature: 0.950000
Total energy: -255.551365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.551365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.551365 (E_RNA)
where:
Base-Base interactions energy: -164.488
where: short stacking energy: -78.926
Base-Backbone interact. energy: -0.074
local terms energy: -90.989462
where:
bonds (distance) C4'-P energy: -18.254
bonds (distance) P-C4' energy: -17.357
flat angles C4'-P-C4' energy: -19.542
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -24.507
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: 71
Temperature: 1.000000
Total energy: -243.823654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.823654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.823654 (E_RNA)
where:
Base-Base interactions energy: -162.387
where: short stacking energy: -70.651
Base-Backbone interact. energy: -0.006
local terms energy: -81.430257
where:
bonds (distance) C4'-P energy: -14.154
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -16.993
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -23.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -244.736622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.736622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.736622 (E_RNA)
where:
Base-Base interactions energy: -158.301
where: short stacking energy: -72.259
Base-Backbone interact. energy: -0.012
local terms energy: -86.423552
where:
bonds (distance) C4'-P energy: -18.740
bonds (distance) P-C4' energy: -19.706
flat angles C4'-P-C4' energy: -16.703
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: -19.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -153.452349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.452349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.452349 (E_RNA)
where:
Base-Base interactions energy: -85.794
where: short stacking energy: -45.196
Base-Backbone interact. energy: -0.049
local terms energy: -67.609099
where:
bonds (distance) C4'-P energy: -17.966
bonds (distance) P-C4' energy: -15.530
flat angles C4'-P-C4' energy: -13.977
flat angles P-C4'-P energy: -6.830
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: 6, replica: 10
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -98.402623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.402623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.402623 (E_RNA)
where:
Base-Base interactions energy: -37.735
where: short stacking energy: -29.659
Base-Backbone interact. energy: -0.763
local terms energy: -59.904015
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -19.758
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: -4.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -88.473490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.473490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.473490 (E_RNA)
where:
Base-Base interactions energy: -39.445
where: short stacking energy: -39.445
Base-Backbone interact. energy: -0.085
local terms energy: -48.943288
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -12.134
flat angles C4'-P-C4' energy: -9.845
flat angles P-C4'-P energy: -8.540
tors. eta vs tors. theta energy: -5.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -95.804085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.804085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.804085 (E_RNA)
where:
Base-Base interactions energy: -38.629
where: short stacking energy: -31.992
Base-Backbone interact. energy: -0.331
local terms energy: -56.843950
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -12.361
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -6.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -85.640356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.640356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.640356 (E_RNA)
where:
Base-Base interactions energy: -31.129
where: short stacking energy: -24.883
Base-Backbone interact. energy: -0.300
local terms energy: -54.211080
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: -2.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -83.165340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.165340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.165340 (E_RNA)
where:
Base-Base interactions energy: -37.626
where: short stacking energy: -22.662
Base-Backbone interact. energy: -0.364
local terms energy: -45.175160
where:
bonds (distance) C4'-P energy: -10.562
bonds (distance) P-C4' energy: -15.146
flat angles C4'-P-C4' energy: -9.445
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: -0.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -260.311307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.311307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.311307 (E_RNA)
where:
Base-Base interactions energy: -171.867
where: short stacking energy: -71.304
Base-Backbone interact. energy: 0.139
local terms energy: -88.583024
where:
bonds (distance) C4'-P energy: -17.879
bonds (distance) P-C4' energy: -18.463
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -23.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -250.257479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.257479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.257479 (E_RNA)
where:
Base-Base interactions energy: -159.491
where: short stacking energy: -73.964
Base-Backbone interact. energy: -0.006
local terms energy: -90.760974
where:
bonds (distance) C4'-P energy: -18.856
bonds (distance) P-C4' energy: -16.229
flat angles C4'-P-C4' energy: -20.553
flat angles P-C4'-P energy: -13.228
tors. eta vs tors. theta energy: -21.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -257.244240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.244240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.244240 (E_RNA)
where:
Base-Base interactions energy: -166.833
where: short stacking energy: -72.849
Base-Backbone interact. energy: -0.002
local terms energy: -90.408752
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -18.572
flat angles C4'-P-C4' energy: -17.051
flat angles P-C4'-P energy: -13.594
tors. eta vs tors. theta energy: -25.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -247.410861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.410861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.410861 (E_RNA)
where:
Base-Base interactions energy: -163.554
where: short stacking energy: -70.720
Base-Backbone interact. energy: -0.062
local terms energy: -83.794654
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -19.282
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -24.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -171.452267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.452267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.452267 (E_RNA)
where:
Base-Base interactions energy: -111.953
where: short stacking energy: -52.728
Base-Backbone interact. energy: 0.476
local terms energy: -59.975558
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -6.421
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -8.699
tors. eta vs tors. theta energy: -17.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -102.428547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.428547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.428547 (E_RNA)
where:
Base-Base interactions energy: -46.224
where: short stacking energy: -44.880
Base-Backbone interact. energy: -0.201
local terms energy: -56.003424
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -3.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -115.885563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.885563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.885563 (E_RNA)
where:
Base-Base interactions energy: -57.165
where: short stacking energy: -32.252
Base-Backbone interact. energy: 0.982
local terms energy: -59.702877
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -17.748
flat angles C4'-P-C4' energy: -20.485
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: 0.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -103.788420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.788420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.788420 (E_RNA)
where:
Base-Base interactions energy: -48.003
where: short stacking energy: -30.255
Base-Backbone interact. energy: 0.984
local terms energy: -56.768924
where:
bonds (distance) C4'-P energy: -15.401
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -10.719
flat angles P-C4'-P energy: -12.193
tors. eta vs tors. theta energy: -1.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -126.431598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.431598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.431598 (E_RNA)
where:
Base-Base interactions energy: -69.622
where: short stacking energy: -41.786
Base-Backbone interact. energy: -0.149
local terms energy: -56.660747
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -14.693
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -4.893
tors. eta vs tors. theta energy: -6.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -79.442879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.442879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.442879 (E_RNA)
where:
Base-Base interactions energy: -32.089
where: short stacking energy: -18.979
Base-Backbone interact. energy: -1.200
local terms energy: -46.153972
where:
bonds (distance) C4'-P energy: -14.257
bonds (distance) P-C4' energy: -18.249
flat angles C4'-P-C4' energy: -8.953
flat angles P-C4'-P energy: -6.024
tors. eta vs tors. theta energy: 1.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -270.304573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.304573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.304573 (E_RNA)
where:
Base-Base interactions energy: -174.856
where: short stacking energy: -81.288
Base-Backbone interact. energy: -0.059
local terms energy: -95.389847
where:
bonds (distance) C4'-P energy: -17.915
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -19.390
flat angles P-C4'-P energy: -12.330
tors. eta vs tors. theta energy: -28.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -260.249103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.249103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.249103 (E_RNA)
where:
Base-Base interactions energy: -179.029
where: short stacking energy: -78.784
Base-Backbone interact. energy: -0.963
local terms energy: -80.257058
where:
bonds (distance) C4'-P energy: -18.991
bonds (distance) P-C4' energy: -14.010
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -22.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -242.906114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.906114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.906114 (E_RNA)
where:
Base-Base interactions energy: -160.043
where: short stacking energy: -80.424
Base-Backbone interact. energy: -0.018
local terms energy: -82.844509
where:
bonds (distance) C4'-P energy: -13.497
bonds (distance) P-C4' energy: -18.810
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -11.087
tors. eta vs tors. theta energy: -24.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -246.434884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.434884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.434884 (E_RNA)
where:
Base-Base interactions energy: -163.728
where: short stacking energy: -70.826
Base-Backbone interact. energy: -0.023
local terms energy: -82.683698
where:
bonds (distance) C4'-P energy: -19.352
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -22.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -157.107094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.107094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.107094 (E_RNA)
where:
Base-Base interactions energy: -87.231
where: short stacking energy: -51.199
Base-Backbone interact. energy: -1.065
local terms energy: -68.810248
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: -15.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -100.737403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.737403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.737403 (E_RNA)
where:
Base-Base interactions energy: -44.789
where: short stacking energy: -35.589
Base-Backbone interact. energy: -0.348
local terms energy: -55.600911
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -17.170
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -0.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -126.070659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.070659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.070659 (E_RNA)
where:
Base-Base interactions energy: -75.853
where: short stacking energy: -48.737
Base-Backbone interact. energy: -0.072
local terms energy: -50.145485
where:
bonds (distance) C4'-P energy: -10.704
bonds (distance) P-C4' energy: -11.903
flat angles C4'-P-C4' energy: -14.038
flat angles P-C4'-P energy: -10.446
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: 8, replica: 3
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -94.330233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.330233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.330233 (E_RNA)
where:
Base-Base interactions energy: -32.053
where: short stacking energy: -32.053
Base-Backbone interact. energy: -0.192
local terms energy: -62.084904
where:
bonds (distance) C4'-P energy: -10.525
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -15.836
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -10.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -81.315166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.315166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.315166 (E_RNA)
where:
Base-Base interactions energy: -26.011
where: short stacking energy: -24.798
Base-Backbone interact. energy: -0.836
local terms energy: -54.467816
where:
bonds (distance) C4'-P energy: -18.604
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -5.025
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: 10, replica: 7
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -81.596482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.596482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.596482 (E_RNA)
where:
Base-Base interactions energy: -35.406
where: short stacking energy: -28.165
Base-Backbone interact. energy: -0.726
local terms energy: -45.464206
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -9.811
flat angles C4'-P-C4' energy: -12.497
flat angles P-C4'-P energy: -10.419
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: 1, replica: 4
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -264.895287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.895287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.895287 (E_RNA)
where:
Base-Base interactions energy: -176.480
where: short stacking energy: -84.364
Base-Backbone interact. energy: -0.026
local terms energy: -88.389218
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -16.613
flat angles C4'-P-C4' energy: -18.690
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -27.285
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: 5
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -250.441653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.441653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.441653 (E_RNA)
where:
Base-Base interactions energy: -160.675
where: short stacking energy: -82.462
Base-Backbone interact. energy: -0.017
local terms energy: -89.750056
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -16.084
flat angles C4'-P-C4' energy: -20.311
flat angles P-C4'-P energy: -15.430
tors. eta vs tors. theta energy: -24.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -251.495214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.495214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.495214 (E_RNA)
where:
Base-Base interactions energy: -166.071
where: short stacking energy: -83.197
Base-Backbone interact. energy: -0.304
local terms energy: -85.119739
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -16.451
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -26.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -241.648629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.648629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.648629 (E_RNA)
where:
Base-Base interactions energy: -161.162
where: short stacking energy: -75.811
Base-Backbone interact. energy: 1.014
local terms energy: -81.500327
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -16.851
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -22.889
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: 8
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -172.598289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.598289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.598289 (E_RNA)
where:
Base-Base interactions energy: -99.885
where: short stacking energy: -44.296
Base-Backbone interact. energy: -0.026
local terms energy: -72.687187
where:
bonds (distance) C4'-P energy: -19.344
bonds (distance) P-C4' energy: -14.815
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -11.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -103.199702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.199702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.199702 (E_RNA)
where:
Base-Base interactions energy: -44.203
where: short stacking energy: -41.149
Base-Backbone interact. energy: -0.258
local terms energy: -58.738308
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -12.051
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -4.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -122.267013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.267013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.267013 (E_RNA)
where:
Base-Base interactions energy: -74.026
where: short stacking energy: -36.766
Base-Backbone interact. energy: 2.092
local terms energy: -50.333435
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -7.576
tors. eta vs tors. theta energy: -1.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -98.055172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.055172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.055172 (E_RNA)
where:
Base-Base interactions energy: -40.564
where: short stacking energy: -32.983
Base-Backbone interact. energy: -0.450
local terms energy: -57.040819
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -17.141
flat angles C4'-P-C4' energy: -6.150
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: -6.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -95.616342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.616342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.616342 (E_RNA)
where:
Base-Base interactions energy: -40.747
where: short stacking energy: -18.877
Base-Backbone interact. energy: 1.690
local terms energy: -56.559163
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -1.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -77.535402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.535402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.535402 (E_RNA)
where:
Base-Base interactions energy: -31.032
where: short stacking energy: -31.032
Base-Backbone interact. energy: -0.043
local terms energy: -46.460922
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -10.430
flat angles P-C4'-P energy: -5.448
tors. eta vs tors. theta energy: -0.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -263.949814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.949814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.949814 (E_RNA)
where:
Base-Base interactions energy: -172.175
where: short stacking energy: -77.630
Base-Backbone interact. energy: -0.053
local terms energy: -91.722150
where:
bonds (distance) C4'-P energy: -18.069
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -18.862
flat angles P-C4'-P energy: -14.141
tors. eta vs tors. theta energy: -24.121
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: 9
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -263.514701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.514701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.514701 (E_RNA)
where:
Base-Base interactions energy: -173.018
where: short stacking energy: -83.627
Base-Backbone interact. energy: -1.054
local terms energy: -89.442423
where:
bonds (distance) C4'-P energy: -18.359
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -13.516
tors. eta vs tors. theta energy: -27.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -248.294233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.294233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.294233 (E_RNA)
where:
Base-Base interactions energy: -164.821
where: short stacking energy: -80.068
Base-Backbone interact. energy: 0.146
local terms energy: -83.619260
where:
bonds (distance) C4'-P energy: -18.313
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -15.565
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: -24.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -235.474030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.474030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.474030 (E_RNA)
where:
Base-Base interactions energy: -161.254
where: short stacking energy: -70.848
Base-Backbone interact. energy: -0.056
local terms energy: -74.164378
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -16.512
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -8.451
tors. eta vs tors. theta energy: -21.517
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: 8
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -152.686992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.686992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.686992 (E_RNA)
where:
Base-Base interactions energy: -72.405
where: short stacking energy: -47.423
Base-Backbone interact. energy: -0.055
local terms energy: -80.227701
where:
bonds (distance) C4'-P energy: -18.279
bonds (distance) P-C4' energy: -17.712
flat angles C4'-P-C4' energy: -17.116
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: -15.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -100.950091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.950091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.950091 (E_RNA)
where:
Base-Base interactions energy: -58.223
where: short stacking energy: -31.758
Base-Backbone interact. energy: -0.432
local terms energy: -42.295097
where:
bonds (distance) C4'-P energy: -9.318
bonds (distance) P-C4' energy: -19.377
flat angles C4'-P-C4' energy: -10.091
flat angles P-C4'-P energy: -4.350
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: 7, replica: 10
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -118.963250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.963250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.963250 (E_RNA)
where:
Base-Base interactions energy: -50.570
where: short stacking energy: -48.165
Base-Backbone interact. energy: -0.001
local terms energy: -68.392789
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -13.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -127.531534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.531534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.531534 (E_RNA)
where:
Base-Base interactions energy: -73.924
where: short stacking energy: -34.703
Base-Backbone interact. energy: -0.796
local terms energy: -52.811242
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -11.012
flat angles C4'-P-C4' energy: -7.319
flat angles P-C4'-P energy: -11.028
tors. eta vs tors. theta energy: -7.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -85.391257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.391257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.391257 (E_RNA)
where:
Base-Base interactions energy: -30.048
where: short stacking energy: -26.835
Base-Backbone interact. energy: 0.256
local terms energy: -55.599548
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -7.682
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -5.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -106.421063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.421063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.421063 (E_RNA)
where:
Base-Base interactions energy: -48.128
where: short stacking energy: -31.489
Base-Backbone interact. energy: -0.249
local terms energy: -58.043848
where:
bonds (distance) C4'-P energy: -18.729
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -5.701
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: 1, replica: 9
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -268.120119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.120119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.120119 (E_RNA)
where:
Base-Base interactions energy: -175.442
where: short stacking energy: -82.778
Base-Backbone interact. energy: -0.024
local terms energy: -92.653904
where:
bonds (distance) C4'-P energy: -17.671
bonds (distance) P-C4' energy: -14.397
flat angles C4'-P-C4' energy: -18.432
flat angles P-C4'-P energy: -14.147
tors. eta vs tors. theta energy: -28.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -261.272968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.272968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.272968 (E_RNA)
where:
Base-Base interactions energy: -169.376
where: short stacking energy: -77.453
Base-Backbone interact. energy: -0.106
local terms energy: -91.791108
where:
bonds (distance) C4'-P energy: -18.810
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -18.580
flat angles P-C4'-P energy: -14.185
tors. eta vs tors. theta energy: -26.533
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: 3, replica: 2
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -246.857339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.857339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.857339 (E_RNA)
where:
Base-Base interactions energy: -159.326
where: short stacking energy: -78.396
Base-Backbone interact. energy: 0.375
local terms energy: -87.905961
where:
bonds (distance) C4'-P energy: -17.388
bonds (distance) P-C4' energy: -21.128
flat angles C4'-P-C4' energy: -16.349
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -22.541
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: 5
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -236.036592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.036592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.036592 (E_RNA)
where:
Base-Base interactions energy: -155.176
where: short stacking energy: -65.564
Base-Backbone interact. energy: -0.251
local terms energy: -80.610024
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -17.247
flat angles P-C4'-P energy: -10.360
tors. eta vs tors. theta energy: -23.526
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: 5, replica: 1
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -115.018173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.018173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.018173 (E_RNA)
where:
Base-Base interactions energy: -44.761
where: short stacking energy: -34.397
Base-Backbone interact. energy: -0.201
local terms energy: -70.056523
where:
bonds (distance) C4'-P energy: -15.446
bonds (distance) P-C4' energy: -16.214
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -11.293
tors. eta vs tors. theta energy: -13.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -128.281737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.281737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.281737 (E_RNA)
where:
Base-Base interactions energy: -70.808
where: short stacking energy: -44.510
Base-Backbone interact. energy: -0.447
local terms energy: -57.026992
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -15.193
flat angles C4'-P-C4' energy: -16.993
flat angles P-C4'-P energy: -4.021
tors. eta vs tors. theta energy: -8.283
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: 6
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -147.188018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.188018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.188018 (E_RNA)
where:
Base-Base interactions energy: -94.429
where: short stacking energy: -45.360
Base-Backbone interact. energy: -0.098
local terms energy: -52.661343
where:
bonds (distance) C4'-P energy: -11.082
bonds (distance) P-C4' energy: -7.804
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -8.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -92.214944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.214944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.214944 (E_RNA)
where:
Base-Base interactions energy: -31.317
where: short stacking energy: -31.317
Base-Backbone interact. energy: -0.015
local terms energy: -60.882835
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -8.986
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: 3
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -88.792077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.792077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.792077 (E_RNA)
where:
Base-Base interactions energy: -29.364
where: short stacking energy: -29.364
Base-Backbone interact. energy: -0.173
local terms energy: -59.255280
where:
bonds (distance) C4'-P energy: -17.055
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -8.568
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: 7
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -78.316168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.316168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.316168 (E_RNA)
where:
Base-Base interactions energy: -30.527
where: short stacking energy: -26.787
Base-Backbone interact. energy: -0.414
local terms energy: -47.375605
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -18.135
flat angles C4'-P-C4' energy: -14.133
flat angles P-C4'-P energy: -6.416
tors. eta vs tors. theta energy: 4.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -264.746266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.746266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.746266 (E_RNA)
where:
Base-Base interactions energy: -176.525
where: short stacking energy: -81.952
Base-Backbone interact. energy: -0.943
local terms energy: -87.278760
where:
bonds (distance) C4'-P energy: -16.780
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -17.868
flat angles P-C4'-P energy: -13.399
tors. eta vs tors. theta energy: -24.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -248.560266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.560266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.560266 (E_RNA)
where:
Base-Base interactions energy: -160.725
where: short stacking energy: -75.379
Base-Backbone interact. energy: -0.001
local terms energy: -87.834334
where:
bonds (distance) C4'-P energy: -18.106
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -18.624
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -22.137
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: 3, replica: 4
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -256.022528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.022528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.022528 (E_RNA)
where:
Base-Base interactions energy: -167.979
where: short stacking energy: -80.656
Base-Backbone interact. energy: -0.209
local terms energy: -87.834099
where:
bonds (distance) C4'-P energy: -18.351
bonds (distance) P-C4' energy: -15.655
flat angles C4'-P-C4' energy: -16.811
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -26.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -251.514549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.514549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.514549 (E_RNA)
where:
Base-Base interactions energy: -166.349
where: short stacking energy: -78.060
Base-Backbone interact. energy: -0.071
local terms energy: -85.094189
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -19.684
flat angles P-C4'-P energy: -9.321
tors. eta vs tors. theta energy: -27.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -121.378063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.378063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.378063 (E_RNA)
where:
Base-Base interactions energy: -58.208
where: short stacking energy: -40.268
Base-Backbone interact. energy: -0.140
local terms energy: -63.030030
where:
bonds (distance) C4'-P energy: -17.709
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -18.363
flat angles P-C4'-P energy: -2.981
tors. eta vs tors. theta energy: -6.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -135.062223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.062223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.062223 (E_RNA)
where:
Base-Base interactions energy: -73.308
where: short stacking energy: -30.353
Base-Backbone interact. energy: -0.192
local terms energy: -61.563118
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -15.624
flat angles P-C4'-P energy: -6.634
tors. eta vs tors. theta energy: -6.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -118.100035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.100035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.100035 (E_RNA)
where:
Base-Base interactions energy: -54.581
where: short stacking energy: -32.861
Base-Backbone interact. energy: -0.170
local terms energy: -63.348424
where:
bonds (distance) C4'-P energy: -14.311
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -17.910
flat angles P-C4'-P energy: -14.844
tors. eta vs tors. theta energy: -2.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -98.241883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.241883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.241883 (E_RNA)
where:
Base-Base interactions energy: -42.670
where: short stacking energy: -24.244
Base-Backbone interact. energy: 0.015
local terms energy: -55.586239
where:
bonds (distance) C4'-P energy: -15.985
bonds (distance) P-C4' energy: -19.295
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -6.859
tors. eta vs tors. theta energy: 1.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -79.764552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.764552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.764552 (E_RNA)
where:
Base-Base interactions energy: -15.761
where: short stacking energy: -12.731
Base-Backbone interact. energy: -0.277
local terms energy: -63.726602
where:
bonds (distance) C4'-P energy: -18.641
bonds (distance) P-C4' energy: -18.582
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -1.619
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: 7
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -79.731655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.731655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.731655 (E_RNA)
where:
Base-Base interactions energy: -29.598
where: short stacking energy: -29.598
Base-Backbone interact. energy: -0.064
local terms energy: -50.069949
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -16.621
flat angles C4'-P-C4' energy: -7.882
flat angles P-C4'-P energy: -7.087
tors. eta vs tors. theta energy: -3.611
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: 1, replica: 9
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -267.936605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.936605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.936605 (E_RNA)
where:
Base-Base interactions energy: -177.802
where: short stacking energy: -82.372
Base-Backbone interact. energy: -0.006
local terms energy: -90.129132
where:
bonds (distance) C4'-P energy: -14.907
bonds (distance) P-C4' energy: -19.561
flat angles C4'-P-C4' energy: -17.722
flat angles P-C4'-P energy: -14.196
tors. eta vs tors. theta energy: -23.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -258.584727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.584727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.584727 (E_RNA)
where:
Base-Base interactions energy: -161.767
where: short stacking energy: -77.930
Base-Backbone interact. energy: -1.836
local terms energy: -94.981750
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -20.426
flat angles C4'-P-C4' energy: -19.849
flat angles P-C4'-P energy: -14.313
tors. eta vs tors. theta energy: -23.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -255.452247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.452247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.452247 (E_RNA)
where:
Base-Base interactions energy: -171.483
where: short stacking energy: -88.048
Base-Backbone interact. energy: -0.032
local terms energy: -83.937271
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -17.471
flat angles P-C4'-P energy: -12.616
tors. eta vs tors. theta energy: -26.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -251.865944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.865944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.865944 (E_RNA)
where:
Base-Base interactions energy: -158.117
where: short stacking energy: -74.736
Base-Backbone interact. energy: -0.046
local terms energy: -93.703038
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -19.414
flat angles C4'-P-C4' energy: -18.026
flat angles P-C4'-P energy: -14.335
tors. eta vs tors. theta energy: -27.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -154.544752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.544752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.544752 (E_RNA)
where:
Base-Base interactions energy: -88.446
where: short stacking energy: -46.998
Base-Backbone interact. energy: -0.312
local terms energy: -65.786232
where:
bonds (distance) C4'-P energy: -16.432
bonds (distance) P-C4' energy: -17.222
flat angles C4'-P-C4' energy: -13.318
flat angles P-C4'-P energy: -9.018
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: 1
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -108.752905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.752905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.752905 (E_RNA)
where:
Base-Base interactions energy: -42.146
where: short stacking energy: -31.368
Base-Backbone interact. energy: -0.557
local terms energy: -66.049605
where:
bonds (distance) C4'-P energy: -18.102
bonds (distance) P-C4' energy: -20.000
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: -6.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -95.688197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.688197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.688197 (E_RNA)
where:
Base-Base interactions energy: -32.860
where: short stacking energy: -32.329
Base-Backbone interact. energy: 1.106
local terms energy: -63.933789
where:
bonds (distance) C4'-P energy: -18.280
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -4.674
tors. eta vs tors. theta energy: -9.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -82.706830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.706830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.706830 (E_RNA)
where:
Base-Base interactions energy: -27.652
where: short stacking energy: -26.236
Base-Backbone interact. energy: -0.132
local terms energy: -54.923167
where:
bonds (distance) C4'-P energy: -19.034
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: 1.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -90.923778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.923778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.923778 (E_RNA)
where:
Base-Base interactions energy: -40.341
where: short stacking energy: -22.807
Base-Backbone interact. energy: -0.156
local terms energy: -50.427354
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -12.767
flat angles C4'-P-C4' energy: -11.779
flat angles P-C4'-P energy: -9.972
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: 10, replica: 3
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -79.469953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.469953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.469953 (E_RNA)
where:
Base-Base interactions energy: -37.555
where: short stacking energy: -34.282
Base-Backbone interact. energy: -0.129
local terms energy: -41.785752
where:
bonds (distance) C4'-P energy: -9.382
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -10.850
flat angles P-C4'-P energy: -9.444
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: 1, replica: 9
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -259.777222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.777222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.777222 (E_RNA)
where:
Base-Base interactions energy: -167.124
where: short stacking energy: -78.981
Base-Backbone interact. energy: -0.106
local terms energy: -92.547523
where:
bonds (distance) C4'-P energy: -17.510
bonds (distance) P-C4' energy: -19.306
flat angles C4'-P-C4' energy: -17.604
flat angles P-C4'-P energy: -13.483
tors. eta vs tors. theta energy: -24.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -243.354629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.354629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.354629 (E_RNA)
where:
Base-Base interactions energy: -154.047
where: short stacking energy: -81.987
Base-Backbone interact. energy: -0.010
local terms energy: -89.297381
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -16.309
flat angles C4'-P-C4' energy: -19.431
flat angles P-C4'-P energy: -14.457
tors. eta vs tors. theta energy: -24.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -252.460691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.460691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.460691 (E_RNA)
where:
Base-Base interactions energy: -173.186
where: short stacking energy: -83.278
Base-Backbone interact. energy: -0.043
local terms energy: -79.231899
where:
bonds (distance) C4'-P energy: -9.785
bonds (distance) P-C4' energy: -15.450
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -13.519
tors. eta vs tors. theta energy: -24.793
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: 4
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -252.849038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.849038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.849038 (E_RNA)
where:
Base-Base interactions energy: -171.614
where: short stacking energy: -82.918
Base-Backbone interact. energy: 0.166
local terms energy: -81.401181
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -25.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -184.800703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.800703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.800703 (E_RNA)
where:
Base-Base interactions energy: -107.058
where: short stacking energy: -60.450
Base-Backbone interact. energy: -0.108
local terms energy: -77.635562
where:
bonds (distance) C4'-P energy: -18.604
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -18.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -128.958575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.958575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.958575 (E_RNA)
where:
Base-Base interactions energy: -59.847
where: short stacking energy: -38.133
Base-Backbone interact. energy: -0.630
local terms energy: -68.481636
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -17.972
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -13.049
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: 7, replica: 1
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -123.961695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.961695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.961695 (E_RNA)
where:
Base-Base interactions energy: -61.842
where: short stacking energy: -46.165
Base-Backbone interact. energy: -0.209
local terms energy: -61.910029
where:
bonds (distance) C4'-P energy: -7.074
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -12.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -88.132865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.132865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.132865 (E_RNA)
where:
Base-Base interactions energy: -33.258
where: short stacking energy: -28.629
Base-Backbone interact. energy: -0.122
local terms energy: -54.752544
where:
bonds (distance) C4'-P energy: -17.526
bonds (distance) P-C4' energy: -7.373
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: -6.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -98.064170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.064170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.064170 (E_RNA)
where:
Base-Base interactions energy: -39.000
where: short stacking energy: -39.000
Base-Backbone interact. energy: 0.454
local terms energy: -59.517734
where:
bonds (distance) C4'-P energy: -17.602
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -5.392
tors. eta vs tors. theta energy: -7.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -81.544333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.544333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.544333 (E_RNA)
where:
Base-Base interactions energy: -25.657
where: short stacking energy: -25.657
Base-Backbone interact. energy: -0.815
local terms energy: -55.071995
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -2.782
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: 1, replica: 5
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -256.047707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.047707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.047707 (E_RNA)
where:
Base-Base interactions energy: -168.819
where: short stacking energy: -77.404
Base-Backbone interact. energy: -0.100
local terms energy: -87.128505
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -16.838
flat angles C4'-P-C4' energy: -19.694
flat angles P-C4'-P energy: -14.693
tors. eta vs tors. theta energy: -22.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -255.351637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.351637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.351637 (E_RNA)
where:
Base-Base interactions energy: -174.589
where: short stacking energy: -82.549
Base-Backbone interact. energy: -0.017
local terms energy: -80.744977
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -16.981
flat angles C4'-P-C4' energy: -12.120
flat angles P-C4'-P energy: -14.347
tors. eta vs tors. theta energy: -24.019
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: 3, replica: 4
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -251.318803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.318803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.318803 (E_RNA)
where:
Base-Base interactions energy: -168.697
where: short stacking energy: -77.991
Base-Backbone interact. energy: 0.579
local terms energy: -83.200923
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -18.051
flat angles P-C4'-P energy: -15.579
tors. eta vs tors. theta energy: -22.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -243.289039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.289039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.289039 (E_RNA)
where:
Base-Base interactions energy: -158.281
where: short stacking energy: -76.027
Base-Backbone interact. energy: -0.023
local terms energy: -84.984514
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -15.915
tors. eta vs tors. theta energy: -23.715
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: 6
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -181.939030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.939030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.939030 (E_RNA)
where:
Base-Base interactions energy: -106.794
where: short stacking energy: -53.527
Base-Backbone interact. energy: -0.106
local terms energy: -75.039191
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -18.957
flat angles C4'-P-C4' energy: -9.598
flat angles P-C4'-P energy: -13.136
tors. eta vs tors. theta energy: -17.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -108.071693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.071693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.071693 (E_RNA)
where:
Base-Base interactions energy: -36.935
where: short stacking energy: -28.357
Base-Backbone interact. energy: -0.206
local terms energy: -70.930397
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -18.745
flat angles P-C4'-P energy: -12.842
tors. eta vs tors. theta energy: -3.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -104.459146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.459146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.459146 (E_RNA)
where:
Base-Base interactions energy: -38.095
where: short stacking energy: -32.986
Base-Backbone interact. energy: -0.582
local terms energy: -65.782862
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -16.763
flat angles C4'-P-C4' energy: -16.520
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -7.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -93.876781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.876781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.876781 (E_RNA)
where:
Base-Base interactions energy: -30.626
where: short stacking energy: -30.626
Base-Backbone interact. energy: 0.213
local terms energy: -63.463687
where:
bonds (distance) C4'-P energy: -19.344
bonds (distance) P-C4' energy: -12.098
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: -8.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -97.027821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.027821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.027821 (E_RNA)
where:
Base-Base interactions energy: -44.639
where: short stacking energy: -34.142
Base-Backbone interact. energy: 4.334
local terms energy: -56.722681
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -7.075
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -13.557
tors. eta vs tors. theta energy: -9.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -81.408336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.408336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.408336 (E_RNA)
where:
Base-Base interactions energy: -27.654
where: short stacking energy: -25.883
Base-Backbone interact. energy: -0.112
local terms energy: -53.642215
where:
bonds (distance) C4'-P energy: -15.073
bonds (distance) P-C4' energy: -18.556
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -2.352
tors. eta vs tors. theta energy: -3.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -263.443625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.443625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.443625 (E_RNA)
where:
Base-Base interactions energy: -178.271
where: short stacking energy: -84.365
Base-Backbone interact. energy: -0.101
local terms energy: -85.071065
where:
bonds (distance) C4'-P energy: -16.364
bonds (distance) P-C4' energy: -19.460
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -25.449
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: 2, replica: 9
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -253.479524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.479524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.479524 (E_RNA)
where:
Base-Base interactions energy: -157.444
where: short stacking energy: -79.172
Base-Backbone interact. energy: -0.016
local terms energy: -96.019913
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -18.416
flat angles C4'-P-C4' energy: -17.364
flat angles P-C4'-P energy: -16.689
tors. eta vs tors. theta energy: -25.867
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: 4
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -256.379715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.379715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.379715 (E_RNA)
where:
Base-Base interactions energy: -165.942
where: short stacking energy: -83.356
Base-Backbone interact. energy: -0.019
local terms energy: -90.418577
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -20.836
flat angles P-C4'-P energy: -11.955
tors. eta vs tors. theta energy: -25.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -244.249423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.249423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.249423 (E_RNA)
where:
Base-Base interactions energy: -165.063
where: short stacking energy: -70.762
Base-Backbone interact. energy: 1.853
local terms energy: -81.039640
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -14.585
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -20.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -196.779849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.779849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.779849 (E_RNA)
where:
Base-Base interactions energy: -118.746
where: short stacking energy: -57.642
Base-Backbone interact. energy: -0.159
local terms energy: -77.874609
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -16.508
flat angles C4'-P-C4' energy: -18.036
flat angles P-C4'-P energy: -14.305
tors. eta vs tors. theta energy: -12.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -127.304676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.304676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.304676 (E_RNA)
where:
Base-Base interactions energy: -67.391
where: short stacking energy: -36.837
Base-Backbone interact. energy: -0.178
local terms energy: -59.735470
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -16.927
flat angles P-C4'-P energy: -7.442
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: 7, replica: 10
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -121.744707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.744707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.744707 (E_RNA)
where:
Base-Base interactions energy: -65.507
where: short stacking energy: -44.972
Base-Backbone interact. energy: 1.680
local terms energy: -57.917796
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -11.585
flat angles P-C4'-P energy: -11.860
tors. eta vs tors. theta energy: -6.031
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: 3
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -86.882056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.882056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.882056 (E_RNA)
where:
Base-Base interactions energy: -42.255
where: short stacking energy: -36.772
Base-Backbone interact. energy: -0.146
local terms energy: -44.480245
where:
bonds (distance) C4'-P energy: -2.801
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -3.693
tors. eta vs tors. theta energy: -7.324
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: 1
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -95.194059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.194059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.194059 (E_RNA)
where:
Base-Base interactions energy: -43.545
where: short stacking energy: -17.376
Base-Backbone interact. energy: -0.207
local terms energy: -51.442508
where:
bonds (distance) C4'-P energy: -17.410
bonds (distance) P-C4' energy: -18.968
flat angles C4'-P-C4' energy: -10.206
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: 3.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -82.613785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.613785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.613785 (E_RNA)
where:
Base-Base interactions energy: -33.044
where: short stacking energy: -23.870
Base-Backbone interact. energy: -0.283
local terms energy: -49.286472
where:
bonds (distance) C4'-P energy: -7.282
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -9.492
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: 9
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -263.942516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.942516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.942516 (E_RNA)
where:
Base-Base interactions energy: -171.869
where: short stacking energy: -88.655
Base-Backbone interact. energy: -0.001
local terms energy: -92.073308
where:
bonds (distance) C4'-P energy: -18.275
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -16.271
flat angles P-C4'-P energy: -13.408
tors. eta vs tors. theta energy: -26.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -263.609244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.609244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.609244 (E_RNA)
where:
Base-Base interactions energy: -168.726
where: short stacking energy: -82.222
Base-Backbone interact. energy: -0.065
local terms energy: -94.818775
where:
bonds (distance) C4'-P energy: -17.420
bonds (distance) P-C4' energy: -18.549
flat angles C4'-P-C4' energy: -20.982
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -25.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -245.423462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.423462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.423462 (E_RNA)
where:
Base-Base interactions energy: -165.705
where: short stacking energy: -76.862
Base-Backbone interact. energy: 1.498
local terms energy: -81.216322
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -17.205
flat angles C4'-P-C4' energy: -13.298
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -25.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -235.629252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.629252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.629252 (E_RNA)
where:
Base-Base interactions energy: -150.454
where: short stacking energy: -69.378
Base-Backbone interact. energy: -0.403
local terms energy: -84.771925
where:
bonds (distance) C4'-P energy: -14.937
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -18.855
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: -24.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -180.931676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.931676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.931676 (E_RNA)
where:
Base-Base interactions energy: -106.112
where: short stacking energy: -45.474
Base-Backbone interact. energy: -0.235
local terms energy: -74.584852
where:
bonds (distance) C4'-P energy: -17.783
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -12.066
flat angles P-C4'-P energy: -11.919
tors. eta vs tors. theta energy: -15.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -165.966010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.966010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.966010 (E_RNA)
where:
Base-Base interactions energy: -85.611
where: short stacking energy: -46.789
Base-Backbone interact. energy: -0.153
local terms energy: -80.201688
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -19.253
flat angles C4'-P-C4' energy: -19.771
flat angles P-C4'-P energy: -11.199
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: 7, replica: 10
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -90.842997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.842997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.842997 (E_RNA)
where:
Base-Base interactions energy: -39.754
where: short stacking energy: -33.454
Base-Backbone interact. energy: -0.020
local terms energy: -51.068653
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -2.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -93.381767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.381767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.381767 (E_RNA)
where:
Base-Base interactions energy: -28.807
where: short stacking energy: -17.108
Base-Backbone interact. energy: 0.126
local terms energy: -64.701066
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -18.509
flat angles C4'-P-C4' energy: -17.174
flat angles P-C4'-P energy: -8.679
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: 8
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -88.104827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.104827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.104827 (E_RNA)
where:
Base-Base interactions energy: -30.802
where: short stacking energy: -29.018
Base-Backbone interact. energy: -0.279
local terms energy: -57.023843
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -16.284
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -2.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -86.287179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.287179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.287179 (E_RNA)
where:
Base-Base interactions energy: -30.598
where: short stacking energy: -31.198
Base-Backbone interact. energy: -0.128
local terms energy: -55.561146
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -10.732
flat angles C4'-P-C4' energy: -14.482
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: -6.982
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: 1, replica: 9
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -261.207935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.207935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.207935 (E_RNA)
where:
Base-Base interactions energy: -170.988
where: short stacking energy: -79.942
Base-Backbone interact. energy: -0.141
local terms energy: -90.078723
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -18.456
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -13.705
tors. eta vs tors. theta energy: -25.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -246.373715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.373715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.373715 (E_RNA)
where:
Base-Base interactions energy: -155.272
where: short stacking energy: -70.561
Base-Backbone interact. energy: -0.162
local terms energy: -90.939553
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -19.947
flat angles C4'-P-C4' energy: -19.603
flat angles P-C4'-P energy: -11.790
tors. eta vs tors. theta energy: -23.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -243.947104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.947104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.947104 (E_RNA)
where:
Base-Base interactions energy: -154.454
where: short stacking energy: -73.583
Base-Backbone interact. energy: -0.086
local terms energy: -89.407193
where:
bonds (distance) C4'-P energy: -17.361
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -17.521
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: -24.765
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: 2
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -239.553936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.553936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.553936 (E_RNA)
where:
Base-Base interactions energy: -150.011
where: short stacking energy: -65.677
Base-Backbone interact. energy: -0.108
local terms energy: -89.435139
where:
bonds (distance) C4'-P energy: -17.846
bonds (distance) P-C4' energy: -19.592
flat angles C4'-P-C4' energy: -17.841
flat angles P-C4'-P energy: -12.961
tors. eta vs tors. theta energy: -21.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -219.144104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.144104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.144104 (E_RNA)
where:
Base-Base interactions energy: -138.365
where: short stacking energy: -69.366
Base-Backbone interact. energy: -0.787
local terms energy: -79.991722
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -12.580
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -24.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -175.525142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.525142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.525142 (E_RNA)
where:
Base-Base interactions energy: -96.795
where: short stacking energy: -54.084
Base-Backbone interact. energy: -0.244
local terms energy: -78.485805
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -20.072
flat angles C4'-P-C4' energy: -17.365
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -15.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -104.144815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.144815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.144815 (E_RNA)
where:
Base-Base interactions energy: -40.067
where: short stacking energy: -39.985
Base-Backbone interact. energy: -0.070
local terms energy: -64.007676
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -14.326
flat angles C4'-P-C4' energy: -11.852
flat angles P-C4'-P energy: -13.138
tors. eta vs tors. theta energy: -9.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -98.261478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.261478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.261478 (E_RNA)
where:
Base-Base interactions energy: -38.376
where: short stacking energy: -33.089
Base-Backbone interact. energy: -0.024
local terms energy: -59.861224
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -9.963
tors. eta vs tors. theta energy: -3.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -89.391299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.391299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.391299 (E_RNA)
where:
Base-Base interactions energy: -29.450
where: short stacking energy: -29.450
Base-Backbone interact. energy: -0.023
local terms energy: -59.917392
where:
bonds (distance) C4'-P energy: -15.894
bonds (distance) P-C4' energy: -17.829
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -10.025
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: 10, replica: 1
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -81.113926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.113926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.113926 (E_RNA)
where:
Base-Base interactions energy: -27.325
where: short stacking energy: -27.325
Base-Backbone interact. energy: -0.314
local terms energy: -53.474386
where:
bonds (distance) C4'-P energy: -9.739
bonds (distance) P-C4' energy: -14.238
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -7.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -254.090415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.090415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.090415 (E_RNA)
where:
Base-Base interactions energy: -163.484
where: short stacking energy: -79.138
Base-Backbone interact. energy: -0.111
local terms energy: -90.495122
where:
bonds (distance) C4'-P energy: -17.940
bonds (distance) P-C4' energy: -19.668
flat angles C4'-P-C4' energy: -18.558
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -23.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -246.977041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.977041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.977041 (E_RNA)
where:
Base-Base interactions energy: -157.327
where: short stacking energy: -66.339
Base-Backbone interact. energy: -0.170
local terms energy: -89.480932
where:
bonds (distance) C4'-P energy: -17.515
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -18.529
flat angles P-C4'-P energy: -12.718
tors. eta vs tors. theta energy: -22.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -249.501488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.501488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.501488 (E_RNA)
where:
Base-Base interactions energy: -161.172
where: short stacking energy: -81.665
Base-Backbone interact. energy: -0.036
local terms energy: -88.293661
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -18.434
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -13.079
tors. eta vs tors. theta energy: -26.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -234.867734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.867734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.867734 (E_RNA)
where:
Base-Base interactions energy: -155.562
where: short stacking energy: -69.376
Base-Backbone interact. energy: 0.333
local terms energy: -79.637998
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -18.153
flat angles P-C4'-P energy: -15.097
tors. eta vs tors. theta energy: -19.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -229.105987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.105987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.105987 (E_RNA)
where:
Base-Base interactions energy: -144.195
where: short stacking energy: -78.660
Base-Backbone interact. energy: -0.052
local terms energy: -84.859200
where:
bonds (distance) C4'-P energy: -15.023
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -17.531
flat angles P-C4'-P energy: -13.288
tors. eta vs tors. theta energy: -24.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -163.217724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.217724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.217724 (E_RNA)
where:
Base-Base interactions energy: -97.646
where: short stacking energy: -53.579
Base-Backbone interact. energy: 0.031
local terms energy: -65.602490
where:
bonds (distance) C4'-P energy: -13.546
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -8.247
tors. eta vs tors. theta energy: -12.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -113.505874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.505874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.505874 (E_RNA)
where:
Base-Base interactions energy: -46.038
where: short stacking energy: -46.038
Base-Backbone interact. energy: 0.258
local terms energy: -67.725977
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -19.199
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -8.881
tors. eta vs tors. theta energy: -11.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -93.931034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.931034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.931034 (E_RNA)
where:
Base-Base interactions energy: -31.292
where: short stacking energy: -30.985
Base-Backbone interact. energy: -0.107
local terms energy: -62.532176
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -15.937
flat angles P-C4'-P energy: -9.906
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: 9, replica: 1
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -97.597960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.597960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.597960 (E_RNA)
where:
Base-Base interactions energy: -46.647
where: short stacking energy: -36.861
Base-Backbone interact. energy: -0.158
local terms energy: -50.792964
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -17.231
flat angles C4'-P-C4' energy: -7.400
flat angles P-C4'-P energy: -3.363
tors. eta vs tors. theta energy: -10.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -82.943546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.943546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.943546 (E_RNA)
where:
Base-Base interactions energy: -28.141
where: short stacking energy: -27.199
Base-Backbone interact. energy: -0.064
local terms energy: -54.738051
where:
bonds (distance) C4'-P energy: -18.342
bonds (distance) P-C4' energy: -9.894
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -5.007
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: 1, replica: 4
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -259.496266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.496266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.496266 (E_RNA)
where:
Base-Base interactions energy: -167.455
where: short stacking energy: -79.404
Base-Backbone interact. energy: 0.532
local terms energy: -92.572660
where:
bonds (distance) C4'-P energy: -18.422
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -20.206
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -26.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -259.539324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.539324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.539324 (E_RNA)
where:
Base-Base interactions energy: -171.942
where: short stacking energy: -79.397
Base-Backbone interact. energy: -0.088
local terms energy: -87.508717
where:
bonds (distance) C4'-P energy: -11.897
bonds (distance) P-C4' energy: -19.492
flat angles C4'-P-C4' energy: -20.376
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -24.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -252.743997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.743997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.743997 (E_RNA)
where:
Base-Base interactions energy: -164.086
where: short stacking energy: -78.567
Base-Backbone interact. energy: -0.651
local terms energy: -88.006458
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -19.386
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -26.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -229.749580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.749580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.749580 (E_RNA)
where:
Base-Base interactions energy: -145.401
where: short stacking energy: -68.645
Base-Backbone interact. energy: -0.066
local terms energy: -84.282590
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -17.177
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -14.706
tors. eta vs tors. theta energy: -22.321
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: 85
Temperature: 1.100000
Total energy: -232.462792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.462792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.462792 (E_RNA)
where:
Base-Base interactions energy: -149.617
where: short stacking energy: -65.013
Base-Backbone interact. energy: -0.002
local terms energy: -82.843917
where:
bonds (distance) C4'-P energy: -11.879
bonds (distance) P-C4' energy: -16.719
flat angles C4'-P-C4' energy: -18.011
flat angles P-C4'-P energy: -16.088
tors. eta vs tors. theta energy: -20.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -153.102839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.102839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.102839 (E_RNA)
where:
Base-Base interactions energy: -94.025
where: short stacking energy: -45.425
Base-Backbone interact. energy: -0.984
local terms energy: -58.093457
where:
bonds (distance) C4'-P energy: -10.252
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -12.891
flat angles P-C4'-P energy: -5.070
tors. eta vs tors. theta energy: -15.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -99.448393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.448393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.448393 (E_RNA)
where:
Base-Base interactions energy: -38.377
where: short stacking energy: -38.185
Base-Backbone interact. energy: -0.072
local terms energy: -61.000041
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -10.181
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: 8, replica: 1
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -93.106687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.106687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.106687 (E_RNA)
where:
Base-Base interactions energy: -42.254
where: short stacking energy: -23.087
Base-Backbone interact. energy: -0.268
local terms energy: -50.584347
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -11.323
flat angles P-C4'-P energy: -11.740
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: 9, replica: 8
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -84.748416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.748416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.748416 (E_RNA)
where:
Base-Base interactions energy: -31.041
where: short stacking energy: -24.490
Base-Backbone interact. energy: 1.003
local terms energy: -54.710013
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -17.784
flat angles P-C4'-P energy: -5.487
tors. eta vs tors. theta energy: 0.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -84.160049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.160049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.160049 (E_RNA)
where:
Base-Base interactions energy: -32.312
where: short stacking energy: -19.434
Base-Backbone interact. energy: -0.509
local terms energy: -51.339519
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -18.523
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -5.821
tors. eta vs tors. theta energy: 2.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -267.502488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.502488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.502488 (E_RNA)
where:
Base-Base interactions energy: -179.966
where: short stacking energy: -75.970
Base-Backbone interact. energy: -0.089
local terms energy: -87.448105
where:
bonds (distance) C4'-P energy: -15.889
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -17.313
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -23.763
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: 86
Temperature: 0.950000
Total energy: -251.670465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.670465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.670465 (E_RNA)
where:
Base-Base interactions energy: -160.541
where: short stacking energy: -76.891
Base-Backbone interact. energy: -0.105
local terms energy: -91.024233
where:
bonds (distance) C4'-P energy: -17.985
bonds (distance) P-C4' energy: -15.994
flat angles C4'-P-C4' energy: -19.654
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -26.017
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: 6
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -241.821758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.821758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.821758 (E_RNA)
where:
Base-Base interactions energy: -158.710
where: short stacking energy: -72.025
Base-Backbone interact. energy: 0.123
local terms energy: -83.234733
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -17.397
flat angles P-C4'-P energy: -11.523
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: 9
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -250.876521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.876521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.876521 (E_RNA)
where:
Base-Base interactions energy: -165.430
where: short stacking energy: -79.006
Base-Backbone interact. energy: 1.016
local terms energy: -86.462352
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -20.059
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -28.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -241.395662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.395662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.395662 (E_RNA)
where:
Base-Base interactions energy: -157.564
where: short stacking energy: -79.897
Base-Backbone interact. energy: -0.010
local terms energy: -83.822037
where:
bonds (distance) C4'-P energy: -10.815
bonds (distance) P-C4' energy: -18.653
flat angles C4'-P-C4' energy: -18.533
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -25.133
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: 7
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -158.867770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.867770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.867770 (E_RNA)
where:
Base-Base interactions energy: -92.469
where: short stacking energy: -50.083
Base-Backbone interact. energy: 1.307
local terms energy: -67.705964
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -9.888
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: 1
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -99.730947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.730947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.730947 (E_RNA)
where:
Base-Base interactions energy: -47.103
where: short stacking energy: -27.105
Base-Backbone interact. energy: -0.162
local terms energy: -52.466541
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -13.267
flat angles C4'-P-C4' energy: -11.128
flat angles P-C4'-P energy: -5.872
tors. eta vs tors. theta energy: -4.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -100.915584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.915584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.915584 (E_RNA)
where:
Base-Base interactions energy: -40.995
where: short stacking energy: -35.780
Base-Backbone interact. energy: -0.219
local terms energy: -59.701442
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -19.239
flat angles C4'-P-C4' energy: -10.814
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -9.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -83.053244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.053244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.053244 (E_RNA)
where:
Base-Base interactions energy: -34.536
where: short stacking energy: -27.534
Base-Backbone interact. energy: 1.224
local terms energy: -49.741386
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -17.403
flat angles C4'-P-C4' energy: -7.945
flat angles P-C4'-P energy: -14.206
tors. eta vs tors. theta energy: 1.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -102.018495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.018495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.018495 (E_RNA)
where:
Base-Base interactions energy: -44.659
where: short stacking energy: -27.233
Base-Backbone interact. energy: -0.284
local terms energy: -57.075565
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -8.574
tors. eta vs tors. theta energy: -2.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -267.839459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.839459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.839459 (E_RNA)
where:
Base-Base interactions energy: -177.747
where: short stacking energy: -78.456
Base-Backbone interact. energy: -0.054
local terms energy: -90.038270
where:
bonds (distance) C4'-P energy: -16.942
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -18.704
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: -27.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -257.608741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.608741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.608741 (E_RNA)
where:
Base-Base interactions energy: -167.591
where: short stacking energy: -80.923
Base-Backbone interact. energy: -1.483
local terms energy: -88.535527
where:
bonds (distance) C4'-P energy: -18.106
bonds (distance) P-C4' energy: -18.435
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -13.514
tors. eta vs tors. theta energy: -24.992
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: 6
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -258.401498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.401498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.401498 (E_RNA)
where:
Base-Base interactions energy: -169.290
where: short stacking energy: -77.805
Base-Backbone interact. energy: 0.066
local terms energy: -89.177346
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -19.847
flat angles C4'-P-C4' energy: -18.158
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -25.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -251.060444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.060444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.060444 (E_RNA)
where:
Base-Base interactions energy: -170.246
where: short stacking energy: -80.841
Base-Backbone interact. energy: -0.019
local terms energy: -80.795913
where:
bonds (distance) C4'-P energy: -15.926
bonds (distance) P-C4' energy: -12.407
flat angles C4'-P-C4' energy: -19.855
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -21.814
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: 87
Temperature: 1.100000
Total energy: -229.091339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.091339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.091339 (E_RNA)
where:
Base-Base interactions energy: -158.607
where: short stacking energy: -70.376
Base-Backbone interact. energy: 0.999
local terms energy: -71.484005
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -14.182
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -7.012
tors. eta vs tors. theta energy: -20.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -157.236065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.236065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.236065 (E_RNA)
where:
Base-Base interactions energy: -82.289
where: short stacking energy: -48.111
Base-Backbone interact. energy: -0.101
local terms energy: -74.846247
where:
bonds (distance) C4'-P energy: -19.262
bonds (distance) P-C4' energy: -19.764
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -4.845
tors. eta vs tors. theta energy: -15.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -97.718961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.718961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.718961 (E_RNA)
where:
Base-Base interactions energy: -36.648
where: short stacking energy: -30.728
Base-Backbone interact. energy: 2.830
local terms energy: -63.900901
where:
bonds (distance) C4'-P energy: -15.946
bonds (distance) P-C4' energy: -19.783
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -8.145
tors. eta vs tors. theta energy: -8.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -107.518969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.518969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.518969 (E_RNA)
where:
Base-Base interactions energy: -46.926
where: short stacking energy: -24.644
Base-Backbone interact. energy: -0.169
local terms energy: -60.423831
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -16.690
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -3.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -88.536833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.536833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.536833 (E_RNA)
where:
Base-Base interactions energy: -31.777
where: short stacking energy: -29.672
Base-Backbone interact. energy: -0.814
local terms energy: -55.945741
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -9.175
flat angles C4'-P-C4' energy: -17.089
flat angles P-C4'-P energy: -11.824
tors. eta vs tors. theta energy: -6.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -88.703032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.703032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.703032 (E_RNA)
where:
Base-Base interactions energy: -34.768
where: short stacking energy: -21.076
Base-Backbone interact. energy: 0.002
local terms energy: -53.936853
where:
bonds (distance) C4'-P energy: -16.882
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -7.338
flat angles P-C4'-P energy: -11.243
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: 4
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -264.349199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.349199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.349199 (E_RNA)
where:
Base-Base interactions energy: -173.549
where: short stacking energy: -86.728
Base-Backbone interact. energy: -0.048
local terms energy: -90.751481
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -18.270
flat angles C4'-P-C4' energy: -19.284
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: -25.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -263.411237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.411237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.411237 (E_RNA)
where:
Base-Base interactions energy: -174.850
where: short stacking energy: -84.611
Base-Backbone interact. energy: -0.081
local terms energy: -88.480409
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -18.676
flat angles P-C4'-P energy: -12.597
tors. eta vs tors. theta energy: -27.223
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: 6
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -256.257934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.257934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.257934 (E_RNA)
where:
Base-Base interactions energy: -176.036
where: short stacking energy: -83.571
Base-Backbone interact. energy: -0.063
local terms energy: -80.159059
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -17.898
flat angles P-C4'-P energy: -3.905
tors. eta vs tors. theta energy: -26.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -244.042146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.042146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.042146 (E_RNA)
where:
Base-Base interactions energy: -155.628
where: short stacking energy: -72.525
Base-Backbone interact. energy: -0.003
local terms energy: -88.411530
where:
bonds (distance) C4'-P energy: -11.624
bonds (distance) P-C4' energy: -19.464
flat angles C4'-P-C4' energy: -20.284
flat angles P-C4'-P energy: -13.886
tors. eta vs tors. theta energy: -23.154
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: 5
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -249.231545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.231545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.231545 (E_RNA)
where:
Base-Base interactions energy: -165.077
where: short stacking energy: -81.248
Base-Backbone interact. energy: -0.057
local terms energy: -84.096756
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: -24.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -160.411688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.411688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.411688 (E_RNA)
where:
Base-Base interactions energy: -92.568
where: short stacking energy: -54.605
Base-Backbone interact. energy: -0.217
local terms energy: -67.626614
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -19.939
flat angles C4'-P-C4' energy: -11.901
flat angles P-C4'-P energy: -13.138
tors. eta vs tors. theta energy: -9.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -104.952015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.952015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.952015 (E_RNA)
where:
Base-Base interactions energy: -46.028
where: short stacking energy: -40.534
Base-Backbone interact. energy: -0.180
local terms energy: -58.743665
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -12.696
flat angles P-C4'-P energy: -7.295
tors. eta vs tors. theta energy: -9.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -95.630150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.630150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.630150 (E_RNA)
where:
Base-Base interactions energy: -42.496
where: short stacking energy: -24.117
Base-Backbone interact. energy: 0.577
local terms energy: -53.711176
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -14.175
flat angles C4'-P-C4' energy: -9.762
flat angles P-C4'-P energy: -11.818
tors. eta vs tors. theta energy: -3.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -82.496103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.496103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.496103 (E_RNA)
where:
Base-Base interactions energy: -30.716
where: short stacking energy: -30.716
Base-Backbone interact. energy: -0.106
local terms energy: -51.673298
where:
bonds (distance) C4'-P energy: -10.691
bonds (distance) P-C4' energy: -11.652
flat angles C4'-P-C4' energy: -12.759
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -6.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -83.136032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.136032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.136032 (E_RNA)
where:
Base-Base interactions energy: -29.622
where: short stacking energy: -26.843
Base-Backbone interact. energy: -0.635
local terms energy: -52.879378
where:
bonds (distance) C4'-P energy: -18.727
bonds (distance) P-C4' energy: -10.131
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: -1.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -269.297469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.297469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.297469 (E_RNA)
where:
Base-Base interactions energy: -180.879
where: short stacking energy: -86.753
Base-Backbone interact. energy: 0.149
local terms energy: -88.567690
where:
bonds (distance) C4'-P energy: -13.661
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -19.400
flat angles P-C4'-P energy: -12.844
tors. eta vs tors. theta energy: -25.834
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: 6
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -258.791046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.791046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.791046 (E_RNA)
where:
Base-Base interactions energy: -173.179
where: short stacking energy: -82.278
Base-Backbone interact. energy: -0.020
local terms energy: -85.592598
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -19.319
flat angles P-C4'-P energy: -13.249
tors. eta vs tors. theta energy: -24.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -251.616507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.616507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.616507 (E_RNA)
where:
Base-Base interactions energy: -163.594
where: short stacking energy: -77.760
Base-Backbone interact. energy: -0.030
local terms energy: -87.992384
where:
bonds (distance) C4'-P energy: -17.162
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -16.432
flat angles P-C4'-P energy: -13.365
tors. eta vs tors. theta energy: -23.796
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: 4, replica: 9
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -241.558397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.558397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.558397 (E_RNA)
where:
Base-Base interactions energy: -155.546
where: short stacking energy: -74.900
Base-Backbone interact. energy: -0.104
local terms energy: -85.908432
where:
bonds (distance) C4'-P energy: -15.957
bonds (distance) P-C4' energy: -16.279
flat angles C4'-P-C4' energy: -18.916
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -23.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -245.459767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.459767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.459767 (E_RNA)
where:
Base-Base interactions energy: -160.202
where: short stacking energy: -77.241
Base-Backbone interact. energy: -0.014
local terms energy: -85.243495
where:
bonds (distance) C4'-P energy: -16.619
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -12.541
tors. eta vs tors. theta energy: -23.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -101.914021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.914021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.914021 (E_RNA)
where:
Base-Base interactions energy: -46.427
where: short stacking energy: -36.049
Base-Backbone interact. energy: -0.793
local terms energy: -54.693598
where:
bonds (distance) C4'-P energy: -17.000
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -10.838
flat angles P-C4'-P energy: -3.510
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: 7, replica: 1
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -102.827233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.827233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.827233 (E_RNA)
where:
Base-Base interactions energy: -37.598
where: short stacking energy: -32.627
Base-Backbone interact. energy: -0.780
local terms energy: -64.449285
where:
bonds (distance) C4'-P energy: -17.145
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -10.927
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: 8
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -106.164458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.164458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.164458 (E_RNA)
where:
Base-Base interactions energy: -38.279
where: short stacking energy: -38.279
Base-Backbone interact. energy: -0.084
local terms energy: -67.801797
where:
bonds (distance) C4'-P energy: -17.154
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -12.504
flat angles P-C4'-P energy: -13.874
tors. eta vs tors. theta energy: -5.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -98.052689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.052689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.052689 (E_RNA)
where:
Base-Base interactions energy: -41.025
where: short stacking energy: -37.576
Base-Backbone interact. energy: 0.575
local terms energy: -57.603497
where:
bonds (distance) C4'-P energy: -11.237
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -18.057
flat angles P-C4'-P energy: -7.620
tors. eta vs tors. theta energy: -5.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -79.056161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.056161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.056161 (E_RNA)
where:
Base-Base interactions energy: -28.604
where: short stacking energy: -16.198
Base-Backbone interact. energy: -0.224
local terms energy: -50.228072
where:
bonds (distance) C4'-P energy: -17.377
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -9.721
flat angles P-C4'-P energy: -7.622
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: 1, replica: 6
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -266.665530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.665530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.665530 (E_RNA)
where:
Base-Base interactions energy: -173.328
where: short stacking energy: -84.545
Base-Backbone interact. energy: -0.030
local terms energy: -93.307586
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -14.356
tors. eta vs tors. theta energy: -27.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -256.550478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.550478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.550478 (E_RNA)
where:
Base-Base interactions energy: -170.309
where: short stacking energy: -80.955
Base-Backbone interact. energy: -0.017
local terms energy: -86.224302
where:
bonds (distance) C4'-P energy: -13.678
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -20.514
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -25.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -252.155303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.155303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.155303 (E_RNA)
where:
Base-Base interactions energy: -167.861
where: short stacking energy: -79.727
Base-Backbone interact. energy: -0.040
local terms energy: -84.254852
where:
bonds (distance) C4'-P energy: -17.279
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -16.948
flat angles P-C4'-P energy: -4.763
tors. eta vs tors. theta energy: -26.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -249.323798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.323798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.323798 (E_RNA)
where:
Base-Base interactions energy: -164.166
where: short stacking energy: -84.024
Base-Backbone interact. energy: -0.032
local terms energy: -85.125221
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -15.837
flat angles P-C4'-P energy: -12.467
tors. eta vs tors. theta energy: -25.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -244.428028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.428028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.428028 (E_RNA)
where:
Base-Base interactions energy: -166.345
where: short stacking energy: -84.031
Base-Backbone interact. energy: -0.047
local terms energy: -78.035979
where:
bonds (distance) C4'-P energy: -9.127
bonds (distance) P-C4' energy: -11.584
flat angles C4'-P-C4' energy: -18.293
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: -27.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -109.817346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.817346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.817346 (E_RNA)
where:
Base-Base interactions energy: -48.446
where: short stacking energy: -46.939
Base-Backbone interact. energy: 2.796
local terms energy: -64.167320
where:
bonds (distance) C4'-P energy: -15.384
bonds (distance) P-C4' energy: -16.251
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -8.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -100.256054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.256054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.256054 (E_RNA)
where:
Base-Base interactions energy: -35.881
where: short stacking energy: -34.789
Base-Backbone interact. energy: -0.041
local terms energy: -64.333123
where:
bonds (distance) C4'-P energy: -10.029
bonds (distance) P-C4' energy: -18.808
flat angles C4'-P-C4' energy: -18.395
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -7.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -90.970950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.970950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.970950 (E_RNA)
where:
Base-Base interactions energy: -36.618
where: short stacking energy: -29.110
Base-Backbone interact. energy: -0.019
local terms energy: -54.334843
where:
bonds (distance) C4'-P energy: -10.958
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -5.675
tors. eta vs tors. theta energy: -4.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -101.530060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.530060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.530060 (E_RNA)
where:
Base-Base interactions energy: -41.166
where: short stacking energy: -23.714
Base-Backbone interact. energy: -0.174
local terms energy: -60.190593
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -3.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -79.750257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.750257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.750257 (E_RNA)
where:
Base-Base interactions energy: -23.345
where: short stacking energy: -21.096
Base-Backbone interact. energy: -0.004
local terms energy: -56.401696
where:
bonds (distance) C4'-P energy: -17.418
bonds (distance) P-C4' energy: -7.999
flat angles C4'-P-C4' energy: -17.859
flat angles P-C4'-P energy: -12.381
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: 6
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -269.419158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.419158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.419158 (E_RNA)
where:
Base-Base interactions energy: -176.776
where: short stacking energy: -87.970
Base-Backbone interact. energy: -0.052
local terms energy: -92.591348
where:
bonds (distance) C4'-P energy: -18.731
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -18.600
flat angles P-C4'-P energy: -14.425
tors. eta vs tors. theta energy: -27.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -259.310740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.310740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.310740 (E_RNA)
where:
Base-Base interactions energy: -165.129
where: short stacking energy: -77.314
Base-Backbone interact. energy: 0.589
local terms energy: -94.770474
where:
bonds (distance) C4'-P energy: -19.003
bonds (distance) P-C4' energy: -19.028
flat angles C4'-P-C4' energy: -18.266
flat angles P-C4'-P energy: -12.895
tors. eta vs tors. theta energy: -25.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -248.538551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.538551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.538551 (E_RNA)
where:
Base-Base interactions energy: -158.462
where: short stacking energy: -69.120
Base-Backbone interact. energy: -0.833
local terms energy: -89.242977
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -18.285
flat angles C4'-P-C4' energy: -20.850
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: -26.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -257.064873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.064873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.064873 (E_RNA)
where:
Base-Base interactions energy: -170.114
where: short stacking energy: -84.067
Base-Backbone interact. energy: -0.058
local terms energy: -86.892388
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -16.764
flat angles C4'-P-C4' energy: -19.456
flat angles P-C4'-P energy: -13.716
tors. eta vs tors. theta energy: -24.271
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: 2
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -251.890282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.890282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.890282 (E_RNA)
where:
Base-Base interactions energy: -171.249
where: short stacking energy: -75.763
Base-Backbone interact. energy: -0.080
local terms energy: -80.561583
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -11.383
tors. eta vs tors. theta energy: -23.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -117.153821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.153821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.153821 (E_RNA)
where:
Base-Base interactions energy: -59.877
where: short stacking energy: -50.860
Base-Backbone interact. energy: -0.306
local terms energy: -56.971016
where:
bonds (distance) C4'-P energy: -13.806
bonds (distance) P-C4' energy: -15.141
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -6.589
tors. eta vs tors. theta energy: -8.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -94.883401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.883401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.883401 (E_RNA)
where:
Base-Base interactions energy: -38.035
where: short stacking energy: -34.230
Base-Backbone interact. energy: -0.284
local terms energy: -56.564431
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: -11.586
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -2.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -78.727469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.727469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.727469 (E_RNA)
where:
Base-Base interactions energy: -29.854
where: short stacking energy: -17.793
Base-Backbone interact. energy: -0.378
local terms energy: -48.495383
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -13.930
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: 4.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -86.398728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.398728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.398728 (E_RNA)
where:
Base-Base interactions energy: -28.043
where: short stacking energy: -28.043
Base-Backbone interact. energy: -0.276
local terms energy: -58.079917
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -12.956
flat angles C4'-P-C4' energy: -17.224
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -5.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -93.639098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.639098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.639098 (E_RNA)
where:
Base-Base interactions energy: -33.657
where: short stacking energy: -32.580
Base-Backbone interact. energy: -0.438
local terms energy: -59.544760
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -12.862
tors. eta vs tors. theta energy: -3.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -261.515572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.515572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.515572 (E_RNA)
where:
Base-Base interactions energy: -171.304
where: short stacking energy: -84.089
Base-Backbone interact. energy: -0.016
local terms energy: -90.195282
where:
bonds (distance) C4'-P energy: -17.675
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -20.199
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -24.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -262.470485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.470485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.470485 (E_RNA)
where:
Base-Base interactions energy: -174.397
where: short stacking energy: -82.303
Base-Backbone interact. energy: -0.170
local terms energy: -87.903334
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -16.359
flat angles C4'-P-C4' energy: -17.603
flat angles P-C4'-P energy: -13.009
tors. eta vs tors. theta energy: -26.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -253.837404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.837404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.837404 (E_RNA)
where:
Base-Base interactions energy: -164.396
where: short stacking energy: -76.913
Base-Backbone interact. energy: -0.043
local terms energy: -89.399033
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -18.412
flat angles C4'-P-C4' energy: -17.634
flat angles P-C4'-P energy: -14.721
tors. eta vs tors. theta energy: -23.044
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: 4
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -240.290877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.290877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.290877 (E_RNA)
where:
Base-Base interactions energy: -158.889
where: short stacking energy: -73.228
Base-Backbone interact. energy: -0.840
local terms energy: -80.562139
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -18.273
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -24.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -238.781709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.781709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.781709 (E_RNA)
where:
Base-Base interactions energy: -152.060
where: short stacking energy: -67.441
Base-Backbone interact. energy: -0.085
local terms energy: -86.636314
where:
bonds (distance) C4'-P energy: -18.615
bonds (distance) P-C4' energy: -13.098
flat angles C4'-P-C4' energy: -18.214
flat angles P-C4'-P energy: -13.295
tors. eta vs tors. theta energy: -23.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -105.590864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.590864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.590864 (E_RNA)
where:
Base-Base interactions energy: -39.117
where: short stacking energy: -34.156
Base-Backbone interact. energy: -0.145
local terms energy: -66.328606
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -14.936
flat angles C4'-P-C4' energy: -18.547
flat angles P-C4'-P energy: -9.975
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: 7, replica: 10
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -103.606830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.606830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.606830 (E_RNA)
where:
Base-Base interactions energy: -42.731
where: short stacking energy: -44.744
Base-Backbone interact. energy: -0.015
local terms energy: -60.861040
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -11.674
flat angles C4'-P-C4' energy: -18.130
flat angles P-C4'-P energy: -5.698
tors. eta vs tors. theta energy: -11.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -104.513666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.513666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.513666 (E_RNA)
where:
Base-Base interactions energy: -47.417
where: short stacking energy: -36.760
Base-Backbone interact. energy: -0.108
local terms energy: -56.988467
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -10.127
flat angles P-C4'-P energy: -7.107
tors. eta vs tors. theta energy: -9.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -87.905150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.905150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.905150 (E_RNA)
where:
Base-Base interactions energy: -33.156
where: short stacking energy: -22.423
Base-Backbone interact. energy: -0.141
local terms energy: -54.608225
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -9.407
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -3.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -87.102082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.102082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.102082 (E_RNA)
where:
Base-Base interactions energy: -32.471
where: short stacking energy: -24.966
Base-Backbone interact. energy: 0.085
local terms energy: -54.716151
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -18.915
flat angles C4'-P-C4' energy: -10.594
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -3.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -265.430136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.430136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.430136 (E_RNA)
where:
Base-Base interactions energy: -172.714
where: short stacking energy: -86.586
Base-Backbone interact. energy: -0.094
local terms energy: -92.622091
where:
bonds (distance) C4'-P energy: -17.335
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -14.242
tors. eta vs tors. theta energy: -27.685
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: 2, replica: 6
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -254.003875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.003875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.003875 (E_RNA)
where:
Base-Base interactions energy: -166.381
where: short stacking energy: -79.428
Base-Backbone interact. energy: -1.579
local terms energy: -86.043935
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -18.819
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -23.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -251.052623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.052623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.052623 (E_RNA)
where:
Base-Base interactions energy: -165.497
where: short stacking energy: -81.167
Base-Backbone interact. energy: -0.043
local terms energy: -85.512253
where:
bonds (distance) C4'-P energy: -17.420
bonds (distance) P-C4' energy: -14.941
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -15.611
tors. eta vs tors. theta energy: -23.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -259.707077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.707077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.707077 (E_RNA)
where:
Base-Base interactions energy: -170.884
where: short stacking energy: -80.905
Base-Backbone interact. energy: -0.663
local terms energy: -88.159263
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -16.701
flat angles C4'-P-C4' energy: -18.684
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: -28.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -238.951133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.951133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.951133 (E_RNA)
where:
Base-Base interactions energy: -158.423
where: short stacking energy: -78.709
Base-Backbone interact. energy: -0.095
local terms energy: -80.432761
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -12.360
flat angles C4'-P-C4' energy: -18.219
flat angles P-C4'-P energy: -13.151
tors. eta vs tors. theta energy: -22.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -103.230240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.230240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.230240 (E_RNA)
where:
Base-Base interactions energy: -41.994
where: short stacking energy: -41.049
Base-Backbone interact. energy: -0.160
local terms energy: -61.076280
where:
bonds (distance) C4'-P energy: -15.417
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -17.093
flat angles P-C4'-P energy: -12.395
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: 7, replica: 1
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -108.371512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.371512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.371512 (E_RNA)
where:
Base-Base interactions energy: -43.733
where: short stacking energy: -39.400
Base-Backbone interact. energy: -0.063
local terms energy: -64.575660
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -16.101
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -4.915
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: 3
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -88.125551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.125551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.125551 (E_RNA)
where:
Base-Base interactions energy: -30.728
where: short stacking energy: -28.145
Base-Backbone interact. energy: -0.236
local terms energy: -57.161185
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -15.698
flat angles C4'-P-C4' energy: -17.504
flat angles P-C4'-P energy: -6.608
tors. eta vs tors. theta energy: -3.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -86.157354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.157354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.157354 (E_RNA)
where:
Base-Base interactions energy: -33.483
where: short stacking energy: -21.335
Base-Backbone interact. energy: -0.524
local terms energy: -52.150674
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -17.540
flat angles C4'-P-C4' energy: -10.937
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: 0.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -84.413684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.413684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.413684 (E_RNA)
where:
Base-Base interactions energy: -28.769
where: short stacking energy: -28.769
Base-Backbone interact. energy: -0.407
local terms energy: -55.238037
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -10.032
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -6.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -258.376376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.376376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.376376 (E_RNA)
where:
Base-Base interactions energy: -172.263
where: short stacking energy: -81.876
Base-Backbone interact. energy: -0.064
local terms energy: -86.049295
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -13.435
tors. eta vs tors. theta energy: -24.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -254.301939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.301939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.301939 (E_RNA)
where:
Base-Base interactions energy: -167.639
where: short stacking energy: -75.245
Base-Backbone interact. energy: 1.442
local terms energy: -88.104688
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -16.182
flat angles C4'-P-C4' energy: -18.604
flat angles P-C4'-P energy: -14.723
tors. eta vs tors. theta energy: -25.110
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: 5
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -256.551711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.551711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.551711 (E_RNA)
where:
Base-Base interactions energy: -169.844
where: short stacking energy: -84.970
Base-Backbone interact. energy: -0.006
local terms energy: -86.701909
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -18.476
flat angles P-C4'-P energy: -12.683
tors. eta vs tors. theta energy: -27.963
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: 2
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -235.024545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.024545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.024545 (E_RNA)
where:
Base-Base interactions energy: -152.387
where: short stacking energy: -66.389
Base-Backbone interact. energy: -0.302
local terms energy: -82.335223
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -16.935
flat angles C4'-P-C4' energy: -19.175
flat angles P-C4'-P energy: -13.273
tors. eta vs tors. theta energy: -17.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -247.201856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.201856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.201856 (E_RNA)
where:
Base-Base interactions energy: -159.562
where: short stacking energy: -77.362
Base-Backbone interact. energy: -0.599
local terms energy: -87.041243
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -17.816
flat angles C4'-P-C4' energy: -17.605
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -23.701
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: 10
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -111.393438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.393438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.393438 (E_RNA)
where:
Base-Base interactions energy: -45.326
where: short stacking energy: -36.220
Base-Backbone interact. energy: -0.084
local terms energy: -65.983122
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -16.387
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -8.464
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: 3
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -97.382075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.382075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.382075 (E_RNA)
where:
Base-Base interactions energy: -44.576
where: short stacking energy: -32.040
Base-Backbone interact. energy: -0.637
local terms energy: -52.168367
where:
bonds (distance) C4'-P energy: -10.812
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: 1.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -94.197829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.197829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.197829 (E_RNA)
where:
Base-Base interactions energy: -33.599
where: short stacking energy: -24.857
Base-Backbone interact. energy: 0.375
local terms energy: -60.974002
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: -6.616
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: 8
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -96.946430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.946430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.946430 (E_RNA)
where:
Base-Base interactions energy: -48.178
where: short stacking energy: -35.523
Base-Backbone interact. energy: 0.015
local terms energy: -48.783883
where:
bonds (distance) C4'-P energy: -10.545
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -6.378
tors. eta vs tors. theta energy: -5.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -91.819019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.819019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.819019 (E_RNA)
where:
Base-Base interactions energy: -32.652
where: short stacking energy: -24.763
Base-Backbone interact. energy: -0.156
local terms energy: -59.010529
where:
bonds (distance) C4'-P energy: -11.334
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -6.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -265.115405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.115405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.115405 (E_RNA)
where:
Base-Base interactions energy: -174.983
where: short stacking energy: -81.276
Base-Backbone interact. energy: -0.014
local terms energy: -90.118468
where:
bonds (distance) C4'-P energy: -20.962
bonds (distance) P-C4' energy: -18.634
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -27.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -254.880812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.880812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.880812 (E_RNA)
where:
Base-Base interactions energy: -173.291
where: short stacking energy: -82.124
Base-Backbone interact. energy: -0.048
local terms energy: -81.542034
where:
bonds (distance) C4'-P energy: -16.422
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: -20.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -251.546655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.546655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.546655 (E_RNA)
where:
Base-Base interactions energy: -164.281
where: short stacking energy: -79.126
Base-Backbone interact. energy: -0.023
local terms energy: -87.243164
where:
bonds (distance) C4'-P energy: -17.228
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -19.038
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -24.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -237.339482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.339482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.339482 (E_RNA)
where:
Base-Base interactions energy: -154.680
where: short stacking energy: -72.648
Base-Backbone interact. energy: -0.301
local terms energy: -82.358780
where:
bonds (distance) C4'-P energy: -18.785
bonds (distance) P-C4' energy: -10.852
flat angles C4'-P-C4' energy: -18.157
flat angles P-C4'-P energy: -14.121
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: 5, replica: 2
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -234.501147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.501147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.501147 (E_RNA)
where:
Base-Base interactions energy: -155.658
where: short stacking energy: -80.831
Base-Backbone interact. energy: -0.010
local terms energy: -78.832836
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -20.158
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: 10
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -114.602112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.602112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.602112 (E_RNA)
where:
Base-Base interactions energy: -52.740
where: short stacking energy: -29.776
Base-Backbone interact. energy: -0.038
local terms energy: -61.824349
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -20.694
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -7.033
tors. eta vs tors. theta energy: -7.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -112.217752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.217752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.217752 (E_RNA)
where:
Base-Base interactions energy: -45.464
where: short stacking energy: -31.750
Base-Backbone interact. energy: 0.209
local terms energy: -66.962141
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -12.685
flat angles C4'-P-C4' energy: -17.329
flat angles P-C4'-P energy: -13.946
tors. eta vs tors. theta energy: -9.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -101.544384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.544384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.544384 (E_RNA)
where:
Base-Base interactions energy: -46.937
where: short stacking energy: -32.642
Base-Backbone interact. energy: 1.153
local terms energy: -55.760029
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -6.336
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: 1
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -87.739203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.739203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.739203 (E_RNA)
where:
Base-Base interactions energy: -36.656
where: short stacking energy: -36.656
Base-Backbone interact. energy: -0.245
local terms energy: -50.838334
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -11.626
flat angles C4'-P-C4' energy: -8.552
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -3.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -93.532327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.532327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.532327 (E_RNA)
where:
Base-Base interactions energy: -32.960
where: short stacking energy: -24.999
Base-Backbone interact. energy: -0.670
local terms energy: -59.902494
where:
bonds (distance) C4'-P energy: -19.424
bonds (distance) P-C4' energy: -16.935
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -8.156
tors. eta vs tors. theta energy: 1.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -258.730687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.730687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.730687 (E_RNA)
where:
Base-Base interactions energy: -174.213
where: short stacking energy: -82.860
Base-Backbone interact. energy: -0.108
local terms energy: -84.409941
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -15.505
flat angles C4'-P-C4' energy: -20.204
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -22.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -264.037961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.037961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.037961 (E_RNA)
where:
Base-Base interactions energy: -167.777
where: short stacking energy: -85.098
Base-Backbone interact. energy: -0.006
local terms energy: -96.255910
where:
bonds (distance) C4'-P energy: -18.892
bonds (distance) P-C4' energy: -17.626
flat angles C4'-P-C4' energy: -18.686
flat angles P-C4'-P energy: -14.162
tors. eta vs tors. theta energy: -26.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -251.885136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.885136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.885136 (E_RNA)
where:
Base-Base interactions energy: -171.327
where: short stacking energy: -83.345
Base-Backbone interact. energy: -0.097
local terms energy: -80.460806
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -15.158
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -12.986
tors. eta vs tors. theta energy: -25.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -254.124694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.124694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.124694 (E_RNA)
where:
Base-Base interactions energy: -166.849
where: short stacking energy: -74.927
Base-Backbone interact. energy: -0.081
local terms energy: -87.194992
where:
bonds (distance) C4'-P energy: -15.996
bonds (distance) P-C4' energy: -19.460
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -25.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -238.315073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.315073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.315073 (E_RNA)
where:
Base-Base interactions energy: -164.230
where: short stacking energy: -78.943
Base-Backbone interact. energy: 1.713
local terms energy: -75.797406
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -11.243
flat angles P-C4'-P energy: -13.296
tors. eta vs tors. theta energy: -23.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -102.064121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.064121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.064121 (E_RNA)
where:
Base-Base interactions energy: -37.091
where: short stacking energy: -21.693
Base-Backbone interact. energy: 0.511
local terms energy: -65.483716
where:
bonds (distance) C4'-P energy: -18.499
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -17.098
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -3.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -91.144148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.144148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.144148 (E_RNA)
where:
Base-Base interactions energy: -30.543
where: short stacking energy: -28.830
Base-Backbone interact. energy: -0.230
local terms energy: -60.371132
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -15.643
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -2.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -116.538818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.538818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.538818 (E_RNA)
where:
Base-Base interactions energy: -47.238
where: short stacking energy: -47.238
Base-Backbone interact. energy: 1.235
local terms energy: -70.535740
where:
bonds (distance) C4'-P energy: -16.448
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -8.024
tors. eta vs tors. theta energy: -15.513
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: 7
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -92.653064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.653064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.653064 (E_RNA)
where:
Base-Base interactions energy: -33.051
where: short stacking energy: -32.332
Base-Backbone interact. energy: -0.227
local terms energy: -59.375624
where:
bonds (distance) C4'-P energy: -17.130
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -10.495
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -6.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -80.696944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.696944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.696944 (E_RNA)
where:
Base-Base interactions energy: -28.809
where: short stacking energy: -26.367
Base-Backbone interact. energy: -0.363
local terms energy: -51.524149
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: 2.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -266.071100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.071100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.071100 (E_RNA)
where:
Base-Base interactions energy: -174.746
where: short stacking energy: -79.256
Base-Backbone interact. energy: -0.014
local terms energy: -91.311211
where:
bonds (distance) C4'-P energy: -19.468
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -13.240
flat angles P-C4'-P energy: -16.311
tors. eta vs tors. theta energy: -26.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -254.970950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.970950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.970950 (E_RNA)
where:
Base-Base interactions energy: -174.518
where: short stacking energy: -76.576
Base-Backbone interact. energy: -0.097
local terms energy: -80.356368
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -18.135
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -22.443
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: 3, replica: 9
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -253.282224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.282224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.282224 (E_RNA)
where:
Base-Base interactions energy: -170.115
where: short stacking energy: -80.725
Base-Backbone interact. energy: -0.001
local terms energy: -83.165751
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -11.993
tors. eta vs tors. theta energy: -24.999
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: 4, replica: 2
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -245.286249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.286249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.286249 (E_RNA)
where:
Base-Base interactions energy: -160.230
where: short stacking energy: -72.282
Base-Backbone interact. energy: -0.230
local terms energy: -84.826297
where:
bonds (distance) C4'-P energy: -17.660
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -18.814
flat angles P-C4'-P energy: -11.470
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: 4
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -232.245831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.245831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.245831 (E_RNA)
where:
Base-Base interactions energy: -151.408
where: short stacking energy: -66.607
Base-Backbone interact. energy: -0.103
local terms energy: -80.735253
where:
bonds (distance) C4'-P energy: -19.572
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: -21.341
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: 6, replica: 10
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -121.838263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.838263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.838263 (E_RNA)
where:
Base-Base interactions energy: -62.075
where: short stacking energy: -28.213
Base-Backbone interact. energy: -0.082
local terms energy: -59.680798
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -6.459
tors. eta vs tors. theta energy: -5.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -113.089432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.089432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.089432 (E_RNA)
where:
Base-Base interactions energy: -42.899
where: short stacking energy: -42.787
Base-Backbone interact. energy: -0.004
local terms energy: -70.186331
where:
bonds (distance) C4'-P energy: -11.366
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -16.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -89.698135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.698135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.698135 (E_RNA)
where:
Base-Base interactions energy: -32.898
where: short stacking energy: -19.946
Base-Backbone interact. energy: -0.292
local terms energy: -56.508305
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -7.464
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: 9, replica: 8
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -92.880877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.880877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.880877 (E_RNA)
where:
Base-Base interactions energy: -30.464
where: short stacking energy: -28.443
Base-Backbone interact. energy: -0.269
local terms energy: -62.147171
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -20.237
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -11.481
tors. eta vs tors. theta energy: -0.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -80.298532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.298532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.298532 (E_RNA)
where:
Base-Base interactions energy: -30.143
where: short stacking energy: -30.143
Base-Backbone interact. energy: 0.853
local terms energy: -51.008666
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -7.979
flat angles P-C4'-P energy: -5.590
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: 1, replica: 6
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -256.730387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.730387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.730387 (E_RNA)
where:
Base-Base interactions energy: -168.638
where: short stacking energy: -83.194
Base-Backbone interact. energy: -0.039
local terms energy: -88.053364
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -16.445
flat angles P-C4'-P energy: -14.986
tors. eta vs tors. theta energy: -24.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -260.608751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.608751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.608751 (E_RNA)
where:
Base-Base interactions energy: -176.079
where: short stacking energy: -81.189
Base-Backbone interact. energy: -0.028
local terms energy: -84.502340
where:
bonds (distance) C4'-P energy: -15.338
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -19.302
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -26.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -251.391186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.391186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.391186 (E_RNA)
where:
Base-Base interactions energy: -165.116
where: short stacking energy: -81.089
Base-Backbone interact. energy: -0.074
local terms energy: -86.201542
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -20.281
flat angles C4'-P-C4' energy: -17.285
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -24.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -239.850302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.850302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.850302 (E_RNA)
where:
Base-Base interactions energy: -156.254
where: short stacking energy: -75.407
Base-Backbone interact. energy: -0.658
local terms energy: -82.937967
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -17.036
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -22.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -232.383214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.383214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.383214 (E_RNA)
where:
Base-Base interactions energy: -152.537
where: short stacking energy: -67.796
Base-Backbone interact. energy: -0.042
local terms energy: -79.803817
where:
bonds (distance) C4'-P energy: -11.923
bonds (distance) P-C4' energy: -14.661
flat angles C4'-P-C4' energy: -18.814
flat angles P-C4'-P energy: -12.818
tors. eta vs tors. theta energy: -21.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -206.136397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.136397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.136397 (E_RNA)
where:
Base-Base interactions energy: -132.383
where: short stacking energy: -63.246
Base-Backbone interact. energy: -0.811
local terms energy: -72.942949
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -12.194
tors. eta vs tors. theta energy: -16.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -100.035311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.035311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.035311 (E_RNA)
where:
Base-Base interactions energy: -46.765
where: short stacking energy: -35.007
Base-Backbone interact. energy: -0.584
local terms energy: -52.686321
where:
bonds (distance) C4'-P energy: -11.641
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -11.304
flat angles P-C4'-P energy: -7.939
tors. eta vs tors. theta energy: -7.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -90.732265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.732265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.732265 (E_RNA)
where:
Base-Base interactions energy: -41.558
where: short stacking energy: -41.275
Base-Backbone interact. energy: -1.163
local terms energy: -48.011142
where:
bonds (distance) C4'-P energy: -5.205
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -7.485
tors. eta vs tors. theta energy: -4.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -87.009730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.009730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.009730 (E_RNA)
where:
Base-Base interactions energy: -36.507
where: short stacking energy: -35.787
Base-Backbone interact. energy: -0.107
local terms energy: -50.395796
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -12.080
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -11.042
tors. eta vs tors. theta energy: 0.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -77.771872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.771872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.771872 (E_RNA)
where:
Base-Base interactions energy: -19.748
where: short stacking energy: -18.319
Base-Backbone interact. energy: -0.229
local terms energy: -57.794626
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -19.083
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: 4.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -270.521980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.521980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.521980 (E_RNA)
where:
Base-Base interactions energy: -176.752
where: short stacking energy: -86.320
Base-Backbone interact. energy: -0.008
local terms energy: -93.761604
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -18.325
flat angles C4'-P-C4' energy: -19.839
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -27.285
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: 9
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -255.999473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.999473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.999473 (E_RNA)
where:
Base-Base interactions energy: -168.984
where: short stacking energy: -79.021
Base-Backbone interact. energy: -0.105
local terms energy: -86.910244
where:
bonds (distance) C4'-P energy: -19.829
bonds (distance) P-C4' energy: -15.146
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -26.463
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: 5
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -253.076190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.076190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.076190 (E_RNA)
where:
Base-Base interactions energy: -167.871
where: short stacking energy: -82.533
Base-Backbone interact. energy: -0.004
local terms energy: -85.200620
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -19.441
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: -21.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -214.254803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.254803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.254803 (E_RNA)
where:
Base-Base interactions energy: -134.646
where: short stacking energy: -56.354
Base-Backbone interact. energy: -0.762
local terms energy: -78.846775
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -19.488
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -12.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -240.047473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.047473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.047473 (E_RNA)
where:
Base-Base interactions energy: -156.403
where: short stacking energy: -77.024
Base-Backbone interact. energy: -0.184
local terms energy: -83.460769
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -17.281
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -24.718
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: 99
Temperature: 1.150000
Total energy: -224.803781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.803781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.803781 (E_RNA)
where:
Base-Base interactions energy: -134.220
where: short stacking energy: -68.213
Base-Backbone interact. energy: -0.017
local terms energy: -90.567628
where:
bonds (distance) C4'-P energy: -17.245
bonds (distance) P-C4' energy: -17.279
flat angles C4'-P-C4' energy: -19.457
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -24.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -100.511501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.511501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.511501 (E_RNA)
where:
Base-Base interactions energy: -36.626
where: short stacking energy: -19.657
Base-Backbone interact. energy: -0.168
local terms energy: -63.717955
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -18.098
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -2.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -86.371484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.371484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.371484 (E_RNA)
where:
Base-Base interactions energy: -33.009
where: short stacking energy: -31.988
Base-Backbone interact. energy: -1.365
local terms energy: -51.997254
where:
bonds (distance) C4'-P energy: -10.705
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -1.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -81.210082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.210082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.210082 (E_RNA)
where:
Base-Base interactions energy: -25.825
where: short stacking energy: -18.711
Base-Backbone interact. energy: 0.327
local terms energy: -55.711612
where:
bonds (distance) C4'-P energy: -16.095
bonds (distance) P-C4' energy: -17.441
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: 1.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -83.003490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.003490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.003490 (E_RNA)
where:
Base-Base interactions energy: -30.988
where: short stacking energy: -30.982
Base-Backbone interact. energy: -0.293
local terms energy: -51.723304
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -12.527
flat angles P-C4'-P energy: -7.573
tors. eta vs tors. theta energy: -2.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -263.176111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.176111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.176111 (E_RNA)
where:
Base-Base interactions energy: -172.742
where: short stacking energy: -89.249
Base-Backbone interact. energy: -0.157
local terms energy: -90.276812
where:
bonds (distance) C4'-P energy: -10.547
bonds (distance) P-C4' energy: -19.052
flat angles C4'-P-C4' energy: -20.223
flat angles P-C4'-P energy: -14.558
tors. eta vs tors. theta energy: -25.896
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: 6
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -262.547172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.547172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.547172 (E_RNA)
where:
Base-Base interactions energy: -169.015
where: short stacking energy: -78.662
Base-Backbone interact. energy: -0.171
local terms energy: -93.361343
where:
bonds (distance) C4'-P energy: -19.904
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -17.947
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -25.941
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: 4
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -228.351361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.351361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.351361 (E_RNA)
where:
Base-Base interactions energy: -150.323
where: short stacking energy: -64.483
Base-Backbone interact. energy: -0.177
local terms energy: -77.851223
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -12.540
tors. eta vs tors. theta energy: -19.523
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: 5
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -238.985928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.985928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.985928 (E_RNA)
where:
Base-Base interactions energy: -153.754
where: short stacking energy: -73.155
Base-Backbone interact. energy: -0.034
local terms energy: -85.198326
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -20.016
flat angles P-C4'-P energy: -11.479
tors. eta vs tors. theta energy: -23.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -227.781788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.781788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.781788 (E_RNA)
where:
Base-Base interactions energy: -141.765
where: short stacking energy: -77.259
Base-Backbone interact. energy: 1.290
local terms energy: -87.307040
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -18.820
flat angles C4'-P-C4' energy: -18.794
flat angles P-C4'-P energy: -13.454
tors. eta vs tors. theta energy: -23.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -215.493122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.493122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.493122 (E_RNA)
where:
Base-Base interactions energy: -142.461
where: short stacking energy: -71.030
Base-Backbone interact. energy: -0.267
local terms energy: -72.765151
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -19.256
flat angles C4'-P-C4' energy: -12.416
flat angles P-C4'-P energy: -8.747
tors. eta vs tors. theta energy: -20.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -99.225213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.225213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.225213 (E_RNA)
where:
Base-Base interactions energy: -41.860
where: short stacking energy: -20.019
Base-Backbone interact. energy: -0.188
local terms energy: -57.177347
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -21.371
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -4.392
tors. eta vs tors. theta energy: -1.213
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: 3
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -101.938585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.938585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.938585 (E_RNA)
where:
Base-Base interactions energy: -47.748
where: short stacking energy: -32.984
Base-Backbone interact. energy: -0.915
local terms energy: -53.274776
where:
bonds (distance) C4'-P energy: -15.474
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -8.785
tors. eta vs tors. theta energy: -1.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -79.903696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.903696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.903696 (E_RNA)
where:
Base-Base interactions energy: -27.342
where: short stacking energy: -24.618
Base-Backbone interact. energy: -0.618
local terms energy: -51.944330
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -10.820
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -0.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -90.866275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.866275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.866275 (E_RNA)
where:
Base-Base interactions energy: -37.074
where: short stacking energy: -26.685
Base-Backbone interact. energy: -0.036
local terms energy: -53.755804
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -11.091
flat angles P-C4'-P energy: -10.782
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: 9
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -262.966568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.966568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.966568 (E_RNA)
where:
Base-Base interactions energy: -176.216
where: short stacking energy: -87.604
Base-Backbone interact. energy: -0.025
local terms energy: -86.725100
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -19.620
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: -23.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -260.198197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.198197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.198197 (E_RNA)
where:
Base-Base interactions energy: -169.908
where: short stacking energy: -88.492
Base-Backbone interact. energy: -0.060
local terms energy: -90.230803
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -19.311
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -26.331
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: 3, replica: 4
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -255.890176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.890176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.890176 (E_RNA)
where:
Base-Base interactions energy: -167.224
where: short stacking energy: -79.843
Base-Backbone interact. energy: 0.056
local terms energy: -88.722314
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -19.526
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -24.393
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: 5
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -248.676014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.676014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.676014 (E_RNA)
where:
Base-Base interactions energy: -161.567
where: short stacking energy: -81.949
Base-Backbone interact. energy: 0.111
local terms energy: -87.219573
where:
bonds (distance) C4'-P energy: -15.395
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -19.356
flat angles P-C4'-P energy: -13.242
tors. eta vs tors. theta energy: -24.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -228.071983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.071983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.071983 (E_RNA)
where:
Base-Base interactions energy: -147.353
where: short stacking energy: -63.943
Base-Backbone interact. energy: -0.004
local terms energy: -80.714638
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -22.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -219.944765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.944765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.944765 (E_RNA)
where:
Base-Base interactions energy: -143.361
where: short stacking energy: -67.625
Base-Backbone interact. energy: -0.035
local terms energy: -76.548997
where:
bonds (distance) C4'-P energy: -10.091
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -17.403
flat angles P-C4'-P energy: -12.142
tors. eta vs tors. theta energy: -20.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -101.521808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.521808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.521808 (E_RNA)
where:
Base-Base interactions energy: -41.042
where: short stacking energy: -31.530
Base-Backbone interact. energy: -0.206
local terms energy: -60.274565
where:
bonds (distance) C4'-P energy: -17.053
bonds (distance) P-C4' energy: -18.089
flat angles C4'-P-C4' energy: -12.133
flat angles P-C4'-P energy: -11.354
tors. eta vs tors. theta energy: -1.646
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: 8
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -88.521953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.521953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.521953 (E_RNA)
where:
Base-Base interactions energy: -39.309
where: short stacking energy: -31.114
Base-Backbone interact. energy: 0.427
local terms energy: -49.639734
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -14.354
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -4.190
tors. eta vs tors. theta energy: -1.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -92.505322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.505322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.505322 (E_RNA)
where:
Base-Base interactions energy: -42.970
where: short stacking energy: -36.348
Base-Backbone interact. energy: -0.533
local terms energy: -49.001561
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -13.375
flat angles C4'-P-C4' energy: -9.749
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -3.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -81.949124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.949124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.949124 (E_RNA)
where:
Base-Base interactions energy: -25.115
where: short stacking energy: -22.739
Base-Backbone interact. energy: -0.211
local terms energy: -56.623189
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -12.357
flat angles P-C4'-P energy: -10.416
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: 1, replica: 9
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -263.277670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.277670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.277670 (E_RNA)
where:
Base-Base interactions energy: -174.061
where: short stacking energy: -78.678
Base-Backbone interact. energy: -0.013
local terms energy: -89.204433
where:
bonds (distance) C4'-P energy: -18.557
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -15.735
tors. eta vs tors. theta energy: -23.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -254.461736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.461736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.461736 (E_RNA)
where:
Base-Base interactions energy: -164.657
where: short stacking energy: -73.937
Base-Backbone interact. energy: -0.327
local terms energy: -89.477933
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -19.647
flat angles C4'-P-C4' energy: -17.333
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -24.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -253.128358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.128358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.128358 (E_RNA)
where:
Base-Base interactions energy: -166.912
where: short stacking energy: -76.024
Base-Backbone interact. energy: -0.002
local terms energy: -86.214470
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -17.840
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -13.117
tors. eta vs tors. theta energy: -25.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -238.494534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.494534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.494534 (E_RNA)
where:
Base-Base interactions energy: -150.078
where: short stacking energy: -72.566
Base-Backbone interact. energy: -0.294
local terms energy: -88.123249
where:
bonds (distance) C4'-P energy: -16.979
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -13.704
tors. eta vs tors. theta energy: -25.160
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: 10
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -245.803255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.803255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.803255 (E_RNA)
where:
Base-Base interactions energy: -157.587
where: short stacking energy: -73.257
Base-Backbone interact. energy: -0.193
local terms energy: -88.022970
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -15.735
flat angles C4'-P-C4' energy: -18.452
flat angles P-C4'-P energy: -13.998
tors. eta vs tors. theta energy: -26.369
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: 6, replica: 2
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -222.378408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.378408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.378408 (E_RNA)
where:
Base-Base interactions energy: -144.791
where: short stacking energy: -64.154
Base-Backbone interact. energy: 0.125
local terms energy: -77.712801
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -7.912
tors. eta vs tors. theta energy: -21.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -95.976003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.976003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.976003 (E_RNA)
where:
Base-Base interactions energy: -37.660
where: short stacking energy: -30.021
Base-Backbone interact. energy: -0.175
local terms energy: -58.141015
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -18.730
flat angles P-C4'-P energy: -7.947
tors. eta vs tors. theta energy: -3.468
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: 8
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -100.202633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.202633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.202633 (E_RNA)
where:
Base-Base interactions energy: -41.278
where: short stacking energy: -41.278
Base-Backbone interact. energy: -0.170
local terms energy: -58.754508
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -13.527
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -5.781
tors. eta vs tors. theta energy: -7.972
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: 102
Temperature: 1.300000
Total energy: -88.715144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.715144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.715144 (E_RNA)
where:
Base-Base interactions energy: -32.482
where: short stacking energy: -31.172
Base-Backbone interact. energy: -0.431
local terms energy: -55.802165
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -16.778
flat angles C4'-P-C4' energy: -10.165
flat angles P-C4'-P energy: -10.964
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: 10, replica: 3
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -83.762577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.762577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.762577 (E_RNA)
where:
Base-Base interactions energy: -25.861
where: short stacking energy: -19.854
Base-Backbone interact. energy: -0.485
local terms energy: -57.417224
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -2.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -253.183972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.183972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.183972 (E_RNA)
where:
Base-Base interactions energy: -170.271
where: short stacking energy: -85.373
Base-Backbone interact. energy: -0.216
local terms energy: -82.696652
where:
bonds (distance) C4'-P energy: -18.223
bonds (distance) P-C4' energy: -15.866
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -23.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -251.556400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.556400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.556400 (E_RNA)
where:
Base-Base interactions energy: -170.300
where: short stacking energy: -75.964
Base-Backbone interact. energy: -0.007
local terms energy: -81.249516
where:
bonds (distance) C4'-P energy: -19.075
bonds (distance) P-C4' energy: -15.743
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -23.459
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: 6
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -253.712297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.712297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.712297 (E_RNA)
where:
Base-Base interactions energy: -163.766
where: short stacking energy: -85.072
Base-Backbone interact. energy: -0.003
local terms energy: -89.942701
where:
bonds (distance) C4'-P energy: -17.916
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -20.276
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -26.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -248.700732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.700732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.700732 (E_RNA)
where:
Base-Base interactions energy: -171.101
where: short stacking energy: -76.816
Base-Backbone interact. energy: -0.015
local terms energy: -77.584896
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -11.439
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: -26.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -249.123531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.123531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.123531 (E_RNA)
where:
Base-Base interactions energy: -168.609
where: short stacking energy: -79.153
Base-Backbone interact. energy: -0.023
local terms energy: -80.491682
where:
bonds (distance) C4'-P energy: -11.844
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -17.201
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -24.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -232.609581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.609581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.609581 (E_RNA)
where:
Base-Base interactions energy: -150.992
where: short stacking energy: -77.791
Base-Backbone interact. energy: -0.018
local terms energy: -81.599931
where:
bonds (distance) C4'-P energy: -17.543
bonds (distance) P-C4' energy: -14.890
flat angles C4'-P-C4' energy: -19.207
flat angles P-C4'-P energy: -5.490
tors. eta vs tors. theta energy: -24.470
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: 1
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -97.566092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.566092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.566092 (E_RNA)
where:
Base-Base interactions energy: -30.977
where: short stacking energy: -29.520
Base-Backbone interact. energy: 1.213
local terms energy: -67.801616
where:
bonds (distance) C4'-P energy: -16.199
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -12.926
tors. eta vs tors. theta energy: -6.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -92.591878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.591878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.591878 (E_RNA)
where:
Base-Base interactions energy: -26.172
where: short stacking energy: -26.172
Base-Backbone interact. energy: 0.239
local terms energy: -66.658631
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -8.457
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: 9, replica: 8
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -83.113133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.113133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.113133 (E_RNA)
where:
Base-Base interactions energy: -25.766
where: short stacking energy: -22.851
Base-Backbone interact. energy: -1.608
local terms energy: -55.738824
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -16.006
flat angles C4'-P-C4' energy: -9.669
flat angles P-C4'-P energy: -13.672
tors. eta vs tors. theta energy: -2.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -88.624609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.624609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.624609 (E_RNA)
where:
Base-Base interactions energy: -27.092
where: short stacking energy: -26.051
Base-Backbone interact. energy: -0.129
local terms energy: -61.404189
where:
bonds (distance) C4'-P energy: -18.823
bonds (distance) P-C4' energy: -17.686
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -7.462
tors. eta vs tors. theta energy: -3.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -262.794864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.794864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.794864 (E_RNA)
where:
Base-Base interactions energy: -178.228
where: short stacking energy: -84.676
Base-Backbone interact. energy: 0.762
local terms energy: -85.328574
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -12.788
tors. eta vs tors. theta energy: -25.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -245.339638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.339638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.339638 (E_RNA)
where:
Base-Base interactions energy: -157.925
where: short stacking energy: -77.049
Base-Backbone interact. energy: -1.425
local terms energy: -85.989801
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -18.168
flat angles P-C4'-P energy: -14.706
tors. eta vs tors. theta energy: -23.619
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: 6
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -252.704460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.704460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.704460 (E_RNA)
where:
Base-Base interactions energy: -165.393
where: short stacking energy: -82.054
Base-Backbone interact. energy: -0.074
local terms energy: -87.237366
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -18.499
flat angles C4'-P-C4' energy: -18.488
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -23.721
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: 10
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -246.150571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.150571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.150571 (E_RNA)
where:
Base-Base interactions energy: -158.431
where: short stacking energy: -75.437
Base-Backbone interact. energy: -0.020
local terms energy: -87.699801
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -16.384
flat angles P-C4'-P energy: -14.610
tors. eta vs tors. theta energy: -25.681
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: 104
Temperature: 1.100000
Total energy: -248.835409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.835409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.835409 (E_RNA)
where:
Base-Base interactions energy: -161.216
where: short stacking energy: -71.527
Base-Backbone interact. energy: -0.058
local terms energy: -87.561082
where:
bonds (distance) C4'-P energy: -18.954
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -15.130
tors. eta vs tors. theta energy: -22.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -224.317207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.317207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.317207 (E_RNA)
where:
Base-Base interactions energy: -146.977
where: short stacking energy: -70.918
Base-Backbone interact. energy: -0.047
local terms energy: -77.292898
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -12.186
tors. eta vs tors. theta energy: -19.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -95.101312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.101312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.101312 (E_RNA)
where:
Base-Base interactions energy: -43.462
where: short stacking energy: -31.516
Base-Backbone interact. energy: -0.281
local terms energy: -51.358450
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -11.230
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: 0.024
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: 1
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -103.072852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.072852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.072852 (E_RNA)
where:
Base-Base interactions energy: -45.977
where: short stacking energy: -33.616
Base-Backbone interact. energy: -0.386
local terms energy: -56.709884
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -12.447
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -8.738
tors. eta vs tors. theta energy: -5.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -78.301495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.301495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.301495 (E_RNA)
where:
Base-Base interactions energy: -31.261
where: short stacking energy: -22.262
Base-Backbone interact. energy: -0.897
local terms energy: -46.143565
where:
bonds (distance) C4'-P energy: -9.705
bonds (distance) P-C4' energy: -14.312
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -4.455
tors. eta vs tors. theta energy: -2.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -76.877486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.877486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.877486 (E_RNA)
where:
Base-Base interactions energy: -39.909
where: short stacking energy: -14.590
Base-Backbone interact. energy: -0.879
local terms energy: -36.088810
where:
bonds (distance) C4'-P energy: -10.516
bonds (distance) P-C4' energy: -11.925
flat angles C4'-P-C4' energy: -12.363
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: 7.648
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: 9
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -262.445303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.445303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.445303 (E_RNA)
where:
Base-Base interactions energy: -169.681
where: short stacking energy: -83.688
Base-Backbone interact. energy: -0.080
local terms energy: -92.683962
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -17.938
flat angles C4'-P-C4' energy: -19.073
flat angles P-C4'-P energy: -14.457
tors. eta vs tors. theta energy: -26.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -253.740166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.740166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.740166 (E_RNA)
where:
Base-Base interactions energy: -162.543
where: short stacking energy: -75.824
Base-Backbone interact. energy: -0.858
local terms energy: -90.339195
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -18.572
flat angles C4'-P-C4' energy: -18.621
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: -25.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -235.037325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.037325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.037325 (E_RNA)
where:
Base-Base interactions energy: -152.002
where: short stacking energy: -72.615
Base-Backbone interact. energy: -0.036
local terms energy: -82.999186
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -13.518
flat angles C4'-P-C4' energy: -17.644
flat angles P-C4'-P energy: -13.606
tors. eta vs tors. theta energy: -23.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -242.888436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.888436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.888436 (E_RNA)
where:
Base-Base interactions energy: -156.773
where: short stacking energy: -73.306
Base-Backbone interact. energy: -0.002
local terms energy: -86.113557
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -19.588
flat angles C4'-P-C4' energy: -17.838
flat angles P-C4'-P energy: -13.764
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: 5, replica: 10
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -239.833696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.833696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.833696 (E_RNA)
where:
Base-Base interactions energy: -154.162
where: short stacking energy: -70.776
Base-Backbone interact. energy: -0.259
local terms energy: -85.412651
where:
bonds (distance) C4'-P energy: -18.463
bonds (distance) P-C4' energy: -16.961
flat angles C4'-P-C4' energy: -17.743
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -21.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -235.429561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.429561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.429561 (E_RNA)
where:
Base-Base interactions energy: -163.821
where: short stacking energy: -68.599
Base-Backbone interact. energy: -0.103
local terms energy: -71.505413
where:
bonds (distance) C4'-P energy: -10.178
bonds (distance) P-C4' energy: -11.916
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -13.661
tors. eta vs tors. theta energy: -19.438
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: 7
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -112.450963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.450963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.450963 (E_RNA)
where:
Base-Base interactions energy: -46.941
where: short stacking energy: -45.024
Base-Backbone interact. energy: -0.219
local terms energy: -65.290924
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -11.111
flat angles C4'-P-C4' energy: -18.751
flat angles P-C4'-P energy: -10.077
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: 8, replica: 3
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -94.988380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.988380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.988380 (E_RNA)
where:
Base-Base interactions energy: -40.769
where: short stacking energy: -36.098
Base-Backbone interact. energy: -0.204
local terms energy: -54.015958
where:
bonds (distance) C4'-P energy: -17.013
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -7.496
flat angles P-C4'-P energy: -8.865
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: 1
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -89.095797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.095797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.095797 (E_RNA)
where:
Base-Base interactions energy: -30.660
where: short stacking energy: -21.839
Base-Backbone interact. energy: -0.375
local terms energy: -58.060521
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -11.499
tors. eta vs tors. theta energy: -4.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -84.066209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.066209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.066209 (E_RNA)
where:
Base-Base interactions energy: -31.006
where: short stacking energy: -28.232
Base-Backbone interact. energy: 4.491
local terms energy: -57.551633
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -13.739
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -7.236
tors. eta vs tors. theta energy: -5.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -262.700854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.700854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.700854 (E_RNA)
where:
Base-Base interactions energy: -167.603
where: short stacking energy: -80.092
Base-Backbone interact. energy: -0.003
local terms energy: -95.095670
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -17.367
flat angles P-C4'-P energy: -16.621
tors. eta vs tors. theta energy: -26.075
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: 9
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -258.831531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.831531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.831531 (E_RNA)
where:
Base-Base interactions energy: -165.207
where: short stacking energy: -81.252
Base-Backbone interact. energy: -0.102
local terms energy: -93.522253
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -20.822
flat angles P-C4'-P energy: -14.800
tors. eta vs tors. theta energy: -27.364
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: 5
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -240.604708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.604708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.604708 (E_RNA)
where:
Base-Base interactions energy: -159.997
where: short stacking energy: -73.064
Base-Backbone interact. energy: -0.043
local terms energy: -80.564267
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -18.378
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -21.109
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: 4
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -241.092828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.092828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.092828 (E_RNA)
where:
Base-Base interactions energy: -157.026
where: short stacking energy: -60.777
Base-Backbone interact. energy: -0.098
local terms energy: -83.969415
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -13.139
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: 5, replica: 10
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -239.084047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.084047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.084047 (E_RNA)
where:
Base-Base interactions energy: -152.648
where: short stacking energy: -78.169
Base-Backbone interact. energy: -0.129
local terms energy: -86.307183
where:
bonds (distance) C4'-P energy: -18.164
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -19.382
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -23.971
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: 6, replica: 2
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -220.301246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.301246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.301246 (E_RNA)
where:
Base-Base interactions energy: -143.699
where: short stacking energy: -67.933
Base-Backbone interact. energy: -0.013
local terms energy: -76.589490
where:
bonds (distance) C4'-P energy: -19.759
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -11.146
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -20.794
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: 7, replica: 3
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -108.849185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.849185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.849185 (E_RNA)
where:
Base-Base interactions energy: -50.804
where: short stacking energy: -19.410
Base-Backbone interact. energy: -0.150
local terms energy: -57.895294
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -5.260
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: 7
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -90.916228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.916228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.916228 (E_RNA)
where:
Base-Base interactions energy: -31.622
where: short stacking energy: -18.905
Base-Backbone interact. energy: 1.364
local terms energy: -60.658743
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -12.457
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -3.834
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: 8
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -91.758919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.758919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.758919 (E_RNA)
where:
Base-Base interactions energy: -34.409
where: short stacking energy: -34.409
Base-Backbone interact. energy: -0.029
local terms energy: -57.321765
where:
bonds (distance) C4'-P energy: -15.392
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -13.322
flat angles P-C4'-P energy: -12.106
tors. eta vs tors. theta energy: -3.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -92.273506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.273506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.273506 (E_RNA)
where:
Base-Base interactions energy: -39.263
where: short stacking energy: -38.194
Base-Backbone interact. energy: -0.268
local terms energy: -52.741980
where:
bonds (distance) C4'-P energy: -2.143
bonds (distance) P-C4' energy: -18.085
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -8.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -258.522785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.522785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.522785 (E_RNA)
where:
Base-Base interactions energy: -164.404
where: short stacking energy: -73.041
Base-Backbone interact. energy: -0.471
local terms energy: -93.648100
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -20.806
flat angles C4'-P-C4' energy: -18.846
flat angles P-C4'-P energy: -12.956
tors. eta vs tors. theta energy: -23.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -239.020672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.020672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.020672 (E_RNA)
where:
Base-Base interactions energy: -160.192
where: short stacking energy: -73.545
Base-Backbone interact. energy: -0.090
local terms energy: -78.738978
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -9.639
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: 9
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -246.789369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.789369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.789369 (E_RNA)
where:
Base-Base interactions energy: -162.947
where: short stacking energy: -80.804
Base-Backbone interact. energy: -0.079
local terms energy: -83.763475
where:
bonds (distance) C4'-P energy: -17.108
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -18.189
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -23.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -252.048591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.048591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.048591 (E_RNA)
where:
Base-Base interactions energy: -171.855
where: short stacking energy: -81.626
Base-Backbone interact. energy: -0.023
local terms energy: -80.170810
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -16.301
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -24.981
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: 4
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -253.702926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.702926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.702926 (E_RNA)
where:
Base-Base interactions energy: -162.045
where: short stacking energy: -86.373
Base-Backbone interact. energy: -0.003
local terms energy: -91.654995
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -17.166
flat angles C4'-P-C4' energy: -18.866
flat angles P-C4'-P energy: -14.535
tors. eta vs tors. theta energy: -27.031
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: 2
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -238.476715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.476715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.476715 (E_RNA)
where:
Base-Base interactions energy: -155.984
where: short stacking energy: -73.235
Base-Backbone interact. energy: -0.079
local terms energy: -82.413632
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -13.521
flat angles C4'-P-C4' energy: -17.536
flat angles P-C4'-P energy: -12.981
tors. eta vs tors. theta energy: -24.008
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: 3
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -100.760858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.760858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.760858 (E_RNA)
where:
Base-Base interactions energy: -40.889
where: short stacking energy: -30.271
Base-Backbone interact. energy: 1.286
local terms energy: -61.157502
where:
bonds (distance) C4'-P energy: -16.129
bonds (distance) P-C4' energy: -16.546
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -9.423
tors. eta vs tors. theta energy: -5.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -130.780009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.780009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.780009 (E_RNA)
where:
Base-Base interactions energy: -77.811
where: short stacking energy: -35.943
Base-Backbone interact. energy: -1.077
local terms energy: -51.892806
where:
bonds (distance) C4'-P energy: -13.314
bonds (distance) P-C4' energy: -14.220
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -1.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -101.561834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.561834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.561834 (E_RNA)
where:
Base-Base interactions energy: -38.693
where: short stacking energy: -28.295
Base-Backbone interact. energy: -0.128
local terms energy: -62.740607
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -16.148
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -6.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -77.851561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.851561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.851561 (E_RNA)
where:
Base-Base interactions energy: -33.675
where: short stacking energy: -23.352
Base-Backbone interact. energy: -0.116
local terms energy: -44.060757
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -4.493
flat angles P-C4'-P energy: -8.441
tors. eta vs tors. theta energy: -0.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -267.629731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.629731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.629731 (E_RNA)
where:
Base-Base interactions energy: -170.131
where: short stacking energy: -87.929
Base-Backbone interact. energy: -0.007
local terms energy: -97.491878
where:
bonds (distance) C4'-P energy: -18.905
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -20.218
flat angles P-C4'-P energy: -14.043
tors. eta vs tors. theta energy: -27.194
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: 5
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -248.256787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.256787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.256787 (E_RNA)
where:
Base-Base interactions energy: -161.163
where: short stacking energy: -73.049
Base-Backbone interact. energy: -0.004
local terms energy: -87.089052
where:
bonds (distance) C4'-P energy: -13.641
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -19.643
flat angles P-C4'-P energy: -14.212
tors. eta vs tors. theta energy: -23.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -257.568748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.568748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.568748 (E_RNA)
where:
Base-Base interactions energy: -164.355
where: short stacking energy: -70.102
Base-Backbone interact. energy: -0.168
local terms energy: -93.045762
where:
bonds (distance) C4'-P energy: -19.465
bonds (distance) P-C4' energy: -17.587
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -13.863
tors. eta vs tors. theta energy: -26.462
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: 108
Temperature: 1.050000
Total energy: -252.331425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.331425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.331425 (E_RNA)
where:
Base-Base interactions energy: -168.314
where: short stacking energy: -71.673
Base-Backbone interact. energy: -0.103
local terms energy: -83.913917
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -17.275
flat angles P-C4'-P energy: -12.357
tors. eta vs tors. theta energy: -23.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -242.586332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.586332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.586332 (E_RNA)
where:
Base-Base interactions energy: -159.372
where: short stacking energy: -80.735
Base-Backbone interact. energy: -0.086
local terms energy: -83.128210
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -25.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -233.517500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.517500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.517500 (E_RNA)
where:
Base-Base interactions energy: -153.111
where: short stacking energy: -69.212
Base-Backbone interact. energy: -0.921
local terms energy: -79.485585
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -12.122
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -11.110
tors. eta vs tors. theta energy: -25.137
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: 8
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -128.466124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.466124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.466124 (E_RNA)
where:
Base-Base interactions energy: -62.457
where: short stacking energy: -24.547
Base-Backbone interact. energy: 0.032
local terms energy: -66.040518
where:
bonds (distance) C4'-P energy: -16.194
bonds (distance) P-C4' energy: -17.015
flat angles C4'-P-C4' energy: -17.779
flat angles P-C4'-P energy: -12.395
tors. eta vs tors. theta energy: -2.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -109.414797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.414797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.414797 (E_RNA)
where:
Base-Base interactions energy: -48.309
where: short stacking energy: -31.280
Base-Backbone interact. energy: 0.112
local terms energy: -61.218193
where:
bonds (distance) C4'-P energy: -17.058
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: -4.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -81.603617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.603617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.603617 (E_RNA)
where:
Base-Base interactions energy: -24.727
where: short stacking energy: -23.087
Base-Backbone interact. energy: -1.618
local terms energy: -55.259523
where:
bonds (distance) C4'-P energy: -18.623
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -12.729
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: 1.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -84.617478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.617478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.617478 (E_RNA)
where:
Base-Base interactions energy: -28.659
where: short stacking energy: -25.772
Base-Backbone interact. energy: 0.060
local terms energy: -56.018568
where:
bonds (distance) C4'-P energy: -11.118
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -3.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -267.435164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.435164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.435164 (E_RNA)
where:
Base-Base interactions energy: -176.124
where: short stacking energy: -79.226
Base-Backbone interact. energy: -0.069
local terms energy: -91.242326
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -20.299
flat angles C4'-P-C4' energy: -19.298
flat angles P-C4'-P energy: -12.945
tors. eta vs tors. theta energy: -25.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -247.976125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.976125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.976125 (E_RNA)
where:
Base-Base interactions energy: -167.767
where: short stacking energy: -82.962
Base-Backbone interact. energy: 0.004
local terms energy: -80.213326
where:
bonds (distance) C4'-P energy: -16.786
bonds (distance) P-C4' energy: -15.950
flat angles C4'-P-C4' energy: -13.143
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -23.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -256.135799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.135799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.135799 (E_RNA)
where:
Base-Base interactions energy: -165.919
where: short stacking energy: -78.394
Base-Backbone interact. energy: -0.000
local terms energy: -90.216724
where:
bonds (distance) C4'-P energy: -18.218
bonds (distance) P-C4' energy: -15.338
flat angles C4'-P-C4' energy: -19.009
flat angles P-C4'-P energy: -14.165
tors. eta vs tors. theta energy: -23.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -233.133875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.133875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.133875 (E_RNA)
where:
Base-Base interactions energy: -152.679
where: short stacking energy: -65.128
Base-Backbone interact. energy: -0.022
local terms energy: -80.432270
where:
bonds (distance) C4'-P energy: -18.653
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -8.900
tors. eta vs tors. theta energy: -21.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -245.586933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.586933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.586933 (E_RNA)
where:
Base-Base interactions energy: -157.579
where: short stacking energy: -82.447
Base-Backbone interact. energy: -0.000
local terms energy: -88.007418
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -14.805
tors. eta vs tors. theta energy: -25.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -229.230887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.230887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.230887 (E_RNA)
where:
Base-Base interactions energy: -150.139
where: short stacking energy: -71.284
Base-Backbone interact. energy: -0.074
local terms energy: -79.018613
where:
bonds (distance) C4'-P energy: -9.007
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -13.906
tors. eta vs tors. theta energy: -21.680
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: 8
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -125.882301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.882301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.882301 (E_RNA)
where:
Base-Base interactions energy: -63.183
where: short stacking energy: -34.684
Base-Backbone interact. energy: -0.211
local terms energy: -62.488456
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -17.392
flat angles C4'-P-C4' energy: -17.626
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -5.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -86.769045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.769045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.769045 (E_RNA)
where:
Base-Base interactions energy: -26.815
where: short stacking energy: -26.305
Base-Backbone interact. energy: 0.166
local terms energy: -60.120081
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -17.471
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -8.277
tors. eta vs tors. theta energy: -3.337
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: 9, replica: 3
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -92.175443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.175443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.175443 (E_RNA)
where:
Base-Base interactions energy: -32.775
where: short stacking energy: -25.921
Base-Backbone interact. energy: -0.192
local terms energy: -59.208639
where:
bonds (distance) C4'-P energy: -15.965
bonds (distance) P-C4' energy: -13.581
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -8.349
tors. eta vs tors. theta energy: -4.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -79.414191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.414191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.414191 (E_RNA)
where:
Base-Base interactions energy: -26.549
where: short stacking energy: -26.549
Base-Backbone interact. energy: -0.274
local terms energy: -52.591086
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -18.134
flat angles C4'-P-C4' energy: -10.269
flat angles P-C4'-P energy: -11.290
tors. eta vs tors. theta energy: -0.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -253.407290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.407290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.407290 (E_RNA)
where:
Base-Base interactions energy: -168.690
where: short stacking energy: -77.979
Base-Backbone interact. energy: -0.014
local terms energy: -84.702825
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -14.862
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -15.041
tors. eta vs tors. theta energy: -22.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -257.461660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.461660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.461660 (E_RNA)
where:
Base-Base interactions energy: -160.724
where: short stacking energy: -80.355
Base-Backbone interact. energy: -0.050
local terms energy: -96.687247
where:
bonds (distance) C4'-P energy: -18.759
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -19.861
flat angles P-C4'-P energy: -12.196
tors. eta vs tors. theta energy: -26.796
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: 5
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -245.297130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.297130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.297130 (E_RNA)
where:
Base-Base interactions energy: -159.971
where: short stacking energy: -68.784
Base-Backbone interact. energy: -0.419
local terms energy: -84.906292
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -17.920
flat angles P-C4'-P energy: -14.061
tors. eta vs tors. theta energy: -22.623
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: 4
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -248.876346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.876346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.876346 (E_RNA)
where:
Base-Base interactions energy: -170.193
where: short stacking energy: -75.623
Base-Backbone interact. energy: -0.003
local terms energy: -78.680744
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -11.220
flat angles C4'-P-C4' energy: -17.038
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -23.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -249.787284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.787284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.787284 (E_RNA)
where:
Base-Base interactions energy: -163.606
where: short stacking energy: -76.131
Base-Backbone interact. energy: 0.490
local terms energy: -86.670569
where:
bonds (distance) C4'-P energy: -14.721
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -17.749
flat angles P-C4'-P energy: -10.511
tors. eta vs tors. theta energy: -26.001
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: 9
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -244.808611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.808611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.808611 (E_RNA)
where:
Base-Base interactions energy: -163.039
where: short stacking energy: -83.166
Base-Backbone interact. energy: -0.576
local terms energy: -81.193453
where:
bonds (distance) C4'-P energy: -7.888
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -17.693
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -27.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -93.792167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.792167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.792167 (E_RNA)
where:
Base-Base interactions energy: -31.900
where: short stacking energy: -28.484
Base-Backbone interact. energy: -0.201
local terms energy: -61.690766
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -19.700
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -12.818
tors. eta vs tors. theta energy: -1.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -108.049650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.049650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.049650 (E_RNA)
where:
Base-Base interactions energy: -58.452
where: short stacking energy: -40.911
Base-Backbone interact. energy: -0.386
local terms energy: -49.211739
where:
bonds (distance) C4'-P energy: -9.529
bonds (distance) P-C4' energy: -10.996
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -4.195
tors. eta vs tors. theta energy: -10.832
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: 7
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -91.575551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.575551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.575551 (E_RNA)
where:
Base-Base interactions energy: -33.701
where: short stacking energy: -26.294
Base-Backbone interact. energy: -0.099
local terms energy: -57.774990
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -16.932
flat angles P-C4'-P energy: -9.964
tors. eta vs tors. theta energy: -2.633
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: 110
Temperature: 1.350000
Total energy: -76.911709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.911709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.911709 (E_RNA)
where:
Base-Base interactions energy: -30.055
where: short stacking energy: -27.940
Base-Backbone interact. energy: -0.045
local terms energy: -46.811456
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -10.360
flat angles P-C4'-P energy: -5.925
tors. eta vs tors. theta energy: 0.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -265.575284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.575284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.575284 (E_RNA)
where:
Base-Base interactions energy: -174.147
where: short stacking energy: -86.598
Base-Backbone interact. energy: -1.647
local terms energy: -89.781748
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -17.275
flat angles C4'-P-C4' energy: -20.291
flat angles P-C4'-P energy: -12.227
tors. eta vs tors. theta energy: -26.000
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: 5
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -254.179521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.179521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.179521 (E_RNA)
where:
Base-Base interactions energy: -164.948
where: short stacking energy: -79.952
Base-Backbone interact. energy: -0.041
local terms energy: -89.190678
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -18.974
flat angles P-C4'-P energy: -13.080
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: 6
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -253.703257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.703257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.703257 (E_RNA)
where:
Base-Base interactions energy: -166.545
where: short stacking energy: -77.566
Base-Backbone interact. energy: -0.098
local terms energy: -87.059847
where:
bonds (distance) C4'-P energy: -17.340
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -17.401
flat angles P-C4'-P energy: -12.106
tors. eta vs tors. theta energy: -23.567
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: 4
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -251.562113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.562113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.562113 (E_RNA)
where:
Base-Base interactions energy: -170.110
where: short stacking energy: -79.172
Base-Backbone interact. energy: -0.043
local terms energy: -81.408484
where:
bonds (distance) C4'-P energy: -15.818
bonds (distance) P-C4' energy: -17.253
flat angles C4'-P-C4' energy: -13.454
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -24.660
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: 5, replica: 2
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -236.226109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.226109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.226109 (E_RNA)
where:
Base-Base interactions energy: -149.527
where: short stacking energy: -67.218
Base-Backbone interact. energy: -0.007
local terms energy: -86.691602
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -19.736
flat angles C4'-P-C4' energy: -19.305
flat angles P-C4'-P energy: -11.104
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: 6, replica: 9
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -217.398384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.398384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.398384 (E_RNA)
where:
Base-Base interactions energy: -133.929
where: short stacking energy: -63.928
Base-Backbone interact. energy: -0.128
local terms energy: -83.341142
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -17.471
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -22.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -112.309302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.309302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.309302 (E_RNA)
where:
Base-Base interactions energy: -46.052
where: short stacking energy: -46.052
Base-Backbone interact. energy: -0.088
local terms energy: -66.169633
where:
bonds (distance) C4'-P energy: -17.539
bonds (distance) P-C4' energy: -13.230
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -8.575
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: 8, replica: 7
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -105.034348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.034348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.034348 (E_RNA)
where:
Base-Base interactions energy: -37.119
where: short stacking energy: -36.980
Base-Backbone interact. energy: -0.004
local terms energy: -67.911397
where:
bonds (distance) C4'-P energy: -18.231
bonds (distance) P-C4' energy: -20.119
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -10.483
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: 8
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -90.606819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.606819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.606819 (E_RNA)
where:
Base-Base interactions energy: -38.761
where: short stacking energy: -34.678
Base-Backbone interact. energy: 0.598
local terms energy: -52.444231
where:
bonds (distance) C4'-P energy: -18.385
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -3.490
tors. eta vs tors. theta energy: -1.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -83.536662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.536662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.536662 (E_RNA)
where:
Base-Base interactions energy: -28.128
where: short stacking energy: -12.256
Base-Backbone interact. energy: -0.039
local terms energy: -55.369471
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: 3.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -253.599475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.599475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.599475 (E_RNA)
where:
Base-Base interactions energy: -163.363
where: short stacking energy: -82.160
Base-Backbone interact. energy: -0.015
local terms energy: -90.221814
where:
bonds (distance) C4'-P energy: -20.230
bonds (distance) P-C4' energy: -19.254
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -22.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -260.312810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.312810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.312810 (E_RNA)
where:
Base-Base interactions energy: -168.491
where: short stacking energy: -83.231
Base-Backbone interact. energy: -0.281
local terms energy: -91.540723
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -19.139
flat angles P-C4'-P energy: -13.213
tors. eta vs tors. theta energy: -26.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -246.841568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.841568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.841568 (E_RNA)
where:
Base-Base interactions energy: -152.121
where: short stacking energy: -71.563
Base-Backbone interact. energy: -0.329
local terms energy: -94.391285
where:
bonds (distance) C4'-P energy: -18.409
bonds (distance) P-C4' energy: -19.711
flat angles C4'-P-C4' energy: -19.403
flat angles P-C4'-P energy: -14.896
tors. eta vs tors. theta energy: -21.972
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: 4, replica: 4
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -236.444316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.444316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.444316 (E_RNA)
where:
Base-Base interactions energy: -159.181
where: short stacking energy: -70.219
Base-Backbone interact. energy: -0.024
local terms energy: -77.239409
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -24.725
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: 9
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -216.999249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.999249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.999249 (E_RNA)
where:
Base-Base interactions energy: -137.214
where: short stacking energy: -58.721
Base-Backbone interact. energy: -1.102
local terms energy: -78.683151
where:
bonds (distance) C4'-P energy: -17.983
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -17.698
flat angles P-C4'-P energy: -10.969
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: 6, replica: 2
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -236.156116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.156116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.156116 (E_RNA)
where:
Base-Base interactions energy: -162.832
where: short stacking energy: -76.146
Base-Backbone interact. energy: -0.009
local terms energy: -73.315490
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -8.798
flat angles P-C4'-P energy: -12.008
tors. eta vs tors. theta energy: -25.398
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: 1
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -102.981938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.981938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.981938 (E_RNA)
where:
Base-Base interactions energy: -36.895
where: short stacking energy: -36.895
Base-Backbone interact. energy: -0.331
local terms energy: -65.756000
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -5.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -90.074221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.074221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.074221 (E_RNA)
where:
Base-Base interactions energy: -33.640
where: short stacking energy: -25.627
Base-Backbone interact. energy: -0.138
local terms energy: -56.296312
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -17.074
flat angles C4'-P-C4' energy: -13.494
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: 0.247
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: 9, replica: 3
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -79.978627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.978627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.978627 (E_RNA)
where:
Base-Base interactions energy: -33.353
where: short stacking energy: -27.556
Base-Backbone interact. energy: -0.108
local terms energy: -46.517486
where:
bonds (distance) C4'-P energy: -17.464
bonds (distance) P-C4' energy: -10.451
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: 0.652
tors. eta vs tors. theta energy: -4.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -87.978025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.978025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.978025 (E_RNA)
where:
Base-Base interactions energy: -36.063
where: short stacking energy: -36.063
Base-Backbone interact. energy: -0.030
local terms energy: -51.885658
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -12.295
flat angles P-C4'-P energy: -7.593
tors. eta vs tors. theta energy: -2.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -262.946278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.946278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.946278 (E_RNA)
where:
Base-Base interactions energy: -167.043
where: short stacking energy: -82.120
Base-Backbone interact. energy: -0.500
local terms energy: -95.403393
where:
bonds (distance) C4'-P energy: -19.327
bonds (distance) P-C4' energy: -17.536
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -13.000
tors. eta vs tors. theta energy: -28.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -260.858401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.858401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.858401 (E_RNA)
where:
Base-Base interactions energy: -166.391
where: short stacking energy: -79.160
Base-Backbone interact. energy: -0.061
local terms energy: -94.406743
where:
bonds (distance) C4'-P energy: -18.926
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -19.799
flat angles P-C4'-P energy: -15.074
tors. eta vs tors. theta energy: -23.380
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: 5
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -253.435809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.435809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.435809 (E_RNA)
where:
Base-Base interactions energy: -162.629
where: short stacking energy: -81.407
Base-Backbone interact. energy: -0.024
local terms energy: -90.782248
where:
bonds (distance) C4'-P energy: -18.315
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -18.903
flat angles P-C4'-P energy: -14.900
tors. eta vs tors. theta energy: -22.877
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: 4
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -222.426744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.426744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.426744 (E_RNA)
where:
Base-Base interactions energy: -149.479
where: short stacking energy: -58.550
Base-Backbone interact. energy: -0.056
local terms energy: -72.890962
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -14.149
tors. eta vs tors. theta energy: -19.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -213.067209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.067209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.067209 (E_RNA)
where:
Base-Base interactions energy: -134.427
where: short stacking energy: -65.154
Base-Backbone interact. energy: -0.140
local terms energy: -78.500442
where:
bonds (distance) C4'-P energy: -17.282
bonds (distance) P-C4' energy: -14.705
flat angles C4'-P-C4' energy: -19.293
flat angles P-C4'-P energy: -8.200
tors. eta vs tors. theta energy: -19.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -241.795726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.795726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.795726 (E_RNA)
where:
Base-Base interactions energy: -159.668
where: short stacking energy: -72.832
Base-Backbone interact. energy: -0.135
local terms energy: -81.992012
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -16.014
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -13.883
tors. eta vs tors. theta energy: -24.564
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: 7, replica: 1
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -95.495825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.495825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.495825 (E_RNA)
where:
Base-Base interactions energy: -37.697
where: short stacking energy: -26.853
Base-Backbone interact. energy: -0.104
local terms energy: -57.695175
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -11.875
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -14.150
tors. eta vs tors. theta energy: -1.534
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: 3
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -97.600885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.600885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.600885 (E_RNA)
where:
Base-Base interactions energy: -36.824
where: short stacking energy: -33.456
Base-Backbone interact. energy: -0.224
local terms energy: -60.552603
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -16.440
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -6.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -87.030766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.030766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.030766 (E_RNA)
where:
Base-Base interactions energy: -32.346
where: short stacking energy: -31.713
Base-Backbone interact. energy: -0.081
local terms energy: -54.603816
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -4.785
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: 10, replica: 8
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -81.398938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.398938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.398938 (E_RNA)
where:
Base-Base interactions energy: -45.541
where: short stacking energy: -32.943
Base-Backbone interact. energy: -0.244
local terms energy: -35.614300
where:
bonds (distance) C4'-P energy: -13.927
bonds (distance) P-C4' energy: -11.952
flat angles C4'-P-C4' energy: -8.971
flat angles P-C4'-P energy: -0.861
tors. eta vs tors. theta energy: 0.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -265.442982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.442982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.442982 (E_RNA)
where:
Base-Base interactions energy: -173.727
where: short stacking energy: -85.151
Base-Backbone interact. energy: -0.095
local terms energy: -91.620655
where:
bonds (distance) C4'-P energy: -18.412
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -14.503
flat angles P-C4'-P energy: -14.282
tors. eta vs tors. theta energy: -26.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -259.437110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.437110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.437110 (E_RNA)
where:
Base-Base interactions energy: -168.466
where: short stacking energy: -76.223
Base-Backbone interact. energy: -0.011
local terms energy: -90.960597
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -19.612
flat angles C4'-P-C4' energy: -20.358
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: -24.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -251.519541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.519541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.519541 (E_RNA)
where:
Base-Base interactions energy: -167.024
where: short stacking energy: -76.958
Base-Backbone interact. energy: -0.008
local terms energy: -84.487206
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -18.982
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -21.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -250.686376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.686376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.686376 (E_RNA)
where:
Base-Base interactions energy: -166.669
where: short stacking energy: -78.140
Base-Backbone interact. energy: -0.082
local terms energy: -83.935499
where:
bonds (distance) C4'-P energy: -17.494
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -24.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -241.012630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.012630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.012630 (E_RNA)
where:
Base-Base interactions energy: -161.502
where: short stacking energy: -74.460
Base-Backbone interact. energy: -0.006
local terms energy: -79.504765
where:
bonds (distance) C4'-P energy: -10.847
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: -23.038
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: 114
Temperature: 1.150000
Total energy: -215.535307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.535307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.535307 (E_RNA)
where:
Base-Base interactions energy: -141.709
where: short stacking energy: -68.793
Base-Backbone interact. energy: -0.052
local terms energy: -73.773720
where:
bonds (distance) C4'-P energy: -19.626
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -3.612
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: 114
Temperature: 1.200000
Total energy: -106.591647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.591647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.591647 (E_RNA)
where:
Base-Base interactions energy: -38.846
where: short stacking energy: -38.846
Base-Backbone interact. energy: -0.243
local terms energy: -67.502660
where:
bonds (distance) C4'-P energy: -16.787
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -17.842
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -6.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -97.337885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.337885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.337885 (E_RNA)
where:
Base-Base interactions energy: -40.406
where: short stacking energy: -38.283
Base-Backbone interact. energy: -0.270
local terms energy: -56.661408
where:
bonds (distance) C4'-P energy: -12.444
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -6.639
tors. eta vs tors. theta energy: -6.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -86.632442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.632442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.632442 (E_RNA)
where:
Base-Base interactions energy: -24.966
where: short stacking energy: -22.722
Base-Backbone interact. energy: -0.055
local terms energy: -61.610609
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -13.556
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -13.596
tors. eta vs tors. theta energy: -4.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -78.720927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.720927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.720927 (E_RNA)
where:
Base-Base interactions energy: -33.538
where: short stacking energy: -26.380
Base-Backbone interact. energy: 0.751
local terms energy: -45.933257
where:
bonds (distance) C4'-P energy: -12.066
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -4.886
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: 10
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -266.718291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.718291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.718291 (E_RNA)
where:
Base-Base interactions energy: -177.665
where: short stacking energy: -80.132
Base-Backbone interact. energy: -0.074
local terms energy: -88.979731
where:
bonds (distance) C4'-P energy: -16.105
bonds (distance) P-C4' energy: -18.808
flat angles C4'-P-C4' energy: -18.875
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -25.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -264.460377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.460377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.460377 (E_RNA)
where:
Base-Base interactions energy: -179.235
where: short stacking energy: -82.771
Base-Backbone interact. energy: -0.053
local terms energy: -85.172882
where:
bonds (distance) C4'-P energy: -16.460
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -16.555
flat angles P-C4'-P energy: -13.281
tors. eta vs tors. theta energy: -25.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -241.103402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.103402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.103402 (E_RNA)
where:
Base-Base interactions energy: -157.324
where: short stacking energy: -71.979
Base-Backbone interact. energy: -0.008
local terms energy: -83.771258
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -18.776
flat angles C4'-P-C4' energy: -18.009
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: -23.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -248.492637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.492637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.492637 (E_RNA)
where:
Base-Base interactions energy: -165.150
where: short stacking energy: -78.134
Base-Backbone interact. energy: -0.001
local terms energy: -83.340871
where:
bonds (distance) C4'-P energy: -14.463
bonds (distance) P-C4' energy: -13.591
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -13.722
tors. eta vs tors. theta energy: -26.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -225.140172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.140172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.140172 (E_RNA)
where:
Base-Base interactions energy: -147.982
where: short stacking energy: -57.204
Base-Backbone interact. energy: -0.818
local terms energy: -76.339677
where:
bonds (distance) C4'-P energy: -17.402
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -10.874
tors. eta vs tors. theta energy: -16.870
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: 9
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -222.708656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.708656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.708656 (E_RNA)
where:
Base-Base interactions energy: -142.578
where: short stacking energy: -60.109
Base-Backbone interact. energy: 0.042
local terms energy: -80.172994
where:
bonds (distance) C4'-P energy: -13.559
bonds (distance) P-C4' energy: -17.057
flat angles C4'-P-C4' energy: -18.178
flat angles P-C4'-P energy: -12.722
tors. eta vs tors. theta energy: -18.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -113.181936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.181936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.181936 (E_RNA)
where:
Base-Base interactions energy: -56.295
where: short stacking energy: -41.760
Base-Backbone interact. energy: -0.054
local terms energy: -56.832687
where:
bonds (distance) C4'-P energy: -11.114
bonds (distance) P-C4' energy: -12.304
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -5.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -84.403208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.403208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.403208 (E_RNA)
where:
Base-Base interactions energy: -27.406
where: short stacking energy: -27.252
Base-Backbone interact. energy: -0.018
local terms energy: -56.979629
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -15.954
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -9.074
tors. eta vs tors. theta energy: -3.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -94.351803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.351803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.351803 (E_RNA)
where:
Base-Base interactions energy: -45.717
where: short stacking energy: -28.667
Base-Backbone interact. energy: 0.015
local terms energy: -48.650562
where:
bonds (distance) C4'-P energy: -11.569
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: -0.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -89.559874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.559874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.559874 (E_RNA)
where:
Base-Base interactions energy: -37.631
where: short stacking energy: -29.926
Base-Backbone interact. energy: -0.153
local terms energy: -51.775355
where:
bonds (distance) C4'-P energy: -13.981
bonds (distance) P-C4' energy: -12.803
flat angles C4'-P-C4' energy: -11.576
flat angles P-C4'-P energy: -14.998
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: 1, replica: 10
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -264.459184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.459184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.459184 (E_RNA)
where:
Base-Base interactions energy: -173.972
where: short stacking energy: -74.790
Base-Backbone interact. energy: -0.088
local terms energy: -90.398808
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -19.455
flat angles P-C4'-P energy: -13.700
tors. eta vs tors. theta energy: -25.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -259.984557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.984557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.984557 (E_RNA)
where:
Base-Base interactions energy: -172.261
where: short stacking energy: -77.876
Base-Backbone interact. energy: -0.060
local terms energy: -87.663530
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -18.586
flat angles C4'-P-C4' energy: -17.874
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -25.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -251.529065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.529065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.529065 (E_RNA)
where:
Base-Base interactions energy: -172.565
where: short stacking energy: -80.318
Base-Backbone interact. energy: -0.136
local terms energy: -78.828230
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -18.068
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -6.379
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: 4, replica: 6
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -228.295365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.295365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.295365 (E_RNA)
where:
Base-Base interactions energy: -147.157
where: short stacking energy: -68.553
Base-Backbone interact. energy: -0.004
local terms energy: -81.134255
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -17.285
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -20.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -227.969580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.969580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.969580 (E_RNA)
where:
Base-Base interactions energy: -150.368
where: short stacking energy: -61.355
Base-Backbone interact. energy: 1.186
local terms energy: -78.787942
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -18.732
flat angles C4'-P-C4' energy: -19.134
flat angles P-C4'-P energy: -13.438
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: 6, replica: 4
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -202.909876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.909876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.909876 (E_RNA)
where:
Base-Base interactions energy: -139.190
where: short stacking energy: -58.103
Base-Backbone interact. energy: -0.206
local terms energy: -63.513523
where:
bonds (distance) C4'-P energy: -9.685
bonds (distance) P-C4' energy: -17.471
flat angles C4'-P-C4' energy: -10.717
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: -16.465
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: 3
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -99.079772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.079772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.079772 (E_RNA)
where:
Base-Base interactions energy: -31.648
where: short stacking energy: -31.648
Base-Backbone interact. energy: 0.236
local terms energy: -67.667315
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -13.171
tors. eta vs tors. theta energy: -7.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -90.883067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.883067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.883067 (E_RNA)
where:
Base-Base interactions energy: -30.925
where: short stacking energy: -30.925
Base-Backbone interact. energy: -0.136
local terms energy: -59.822647
where:
bonds (distance) C4'-P energy: -16.937
bonds (distance) P-C4' energy: -15.591
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: -3.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -82.579974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.579974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.579974 (E_RNA)
where:
Base-Base interactions energy: -34.629
where: short stacking energy: -31.707
Base-Backbone interact. energy: -0.164
local terms energy: -47.786868
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -10.460
flat angles C4'-P-C4' energy: -5.412
flat angles P-C4'-P energy: -11.896
tors. eta vs tors. theta energy: -7.446
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: 7
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -83.768205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.768205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.768205 (E_RNA)
where:
Base-Base interactions energy: -24.923
where: short stacking energy: -24.444
Base-Backbone interact. energy: -0.211
local terms energy: -58.634334
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -1.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -260.604040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.604040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.604040 (E_RNA)
where:
Base-Base interactions energy: -174.605
where: short stacking energy: -74.001
Base-Backbone interact. energy: 0.138
local terms energy: -86.136265
where:
bonds (distance) C4'-P energy: -15.598
bonds (distance) P-C4' energy: -20.268
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -11.323
tors. eta vs tors. theta energy: -24.851
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: 2, replica: 2
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -258.498064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.498064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.498064 (E_RNA)
where:
Base-Base interactions energy: -166.571
where: short stacking energy: -77.536
Base-Backbone interact. energy: -0.029
local terms energy: -91.898455
where:
bonds (distance) C4'-P energy: -18.479
bonds (distance) P-C4' energy: -18.505
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -12.919
tors. eta vs tors. theta energy: -26.357
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: 3, replica: 5
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -260.538737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.538737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.538737 (E_RNA)
where:
Base-Base interactions energy: -168.987
where: short stacking energy: -81.665
Base-Backbone interact. energy: -0.115
local terms energy: -91.436504
where:
bonds (distance) C4'-P energy: -18.980
bonds (distance) P-C4' energy: -19.914
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -25.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -232.287136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.287136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.287136 (E_RNA)
where:
Base-Base interactions energy: -159.133
where: short stacking energy: -65.095
Base-Backbone interact. energy: -0.771
local terms energy: -72.383063
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -12.947
flat angles C4'-P-C4' energy: -11.727
flat angles P-C4'-P energy: -13.151
tors. eta vs tors. theta energy: -19.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -238.122371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.122371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.122371 (E_RNA)
where:
Base-Base interactions energy: -151.706
where: short stacking energy: -72.848
Base-Backbone interact. energy: 0.099
local terms energy: -86.515951
where:
bonds (distance) C4'-P energy: -19.281
bonds (distance) P-C4' energy: -15.269
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -13.062
tors. eta vs tors. theta energy: -23.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -223.409202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.409202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.409202 (E_RNA)
where:
Base-Base interactions energy: -140.591
where: short stacking energy: -68.175
Base-Backbone interact. energy: -0.007
local terms energy: -82.811860
where:
bonds (distance) C4'-P energy: -16.479
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -18.518
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -20.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -112.301939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.301939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.301939 (E_RNA)
where:
Base-Base interactions energy: -43.699
where: short stacking energy: -43.699
Base-Backbone interact. energy: -0.205
local terms energy: -68.397775
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -18.298
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -11.962
tors. eta vs tors. theta energy: -8.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -95.912111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.912111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.912111 (E_RNA)
where:
Base-Base interactions energy: -40.830
where: short stacking energy: -34.652
Base-Backbone interact. energy: 1.621
local terms energy: -56.703507
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -14.178
flat angles P-C4'-P energy: -4.854
tors. eta vs tors. theta energy: -7.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -87.325604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.325604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.325604 (E_RNA)
where:
Base-Base interactions energy: -35.960
where: short stacking energy: -35.960
Base-Backbone interact. energy: -0.102
local terms energy: -51.263599
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -15.485
flat angles C4'-P-C4' energy: -17.853
flat angles P-C4'-P energy: 0.415
tors. eta vs tors. theta energy: -2.655
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: 10, replica: 7
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -79.820540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.820540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.820540 (E_RNA)
where:
Base-Base interactions energy: -23.085
where: short stacking energy: -17.870
Base-Backbone interact. energy: 0.245
local terms energy: -56.980155
where:
bonds (distance) C4'-P energy: -17.871
bonds (distance) P-C4' energy: -11.325
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -1.575
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: 10
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -264.120811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.120811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.120811 (E_RNA)
where:
Base-Base interactions energy: -172.248
where: short stacking energy: -85.572
Base-Backbone interact. energy: -0.002
local terms energy: -91.871213
where:
bonds (distance) C4'-P energy: -15.347
bonds (distance) P-C4' energy: -16.934
flat angles C4'-P-C4' energy: -22.438
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -26.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -251.978846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.978846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.978846 (E_RNA)
where:
Base-Base interactions energy: -165.118
where: short stacking energy: -71.067
Base-Backbone interact. energy: -1.947
local terms energy: -84.913965
where:
bonds (distance) C4'-P energy: -18.347
bonds (distance) P-C4' energy: -13.137
flat angles C4'-P-C4' energy: -17.660
flat angles P-C4'-P energy: -12.333
tors. eta vs tors. theta energy: -23.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -251.135947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.135947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.135947 (E_RNA)
where:
Base-Base interactions energy: -164.210
where: short stacking energy: -79.725
Base-Backbone interact. energy: 0.658
local terms energy: -87.583793
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -14.147
flat angles C4'-P-C4' energy: -17.524
flat angles P-C4'-P energy: -14.443
tors. eta vs tors. theta energy: -25.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -230.566915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.566915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.566915 (E_RNA)
where:
Base-Base interactions energy: -150.566
where: short stacking energy: -64.226
Base-Backbone interact. energy: -0.123
local terms energy: -79.877359
where:
bonds (distance) C4'-P energy: -19.675
bonds (distance) P-C4' energy: -12.808
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -12.631
tors. eta vs tors. theta energy: -17.692
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: 9
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -235.856086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.856086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.856086 (E_RNA)
where:
Base-Base interactions energy: -154.689
where: short stacking energy: -69.380
Base-Backbone interact. energy: -0.015
local terms energy: -81.151839
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -11.469
flat angles C4'-P-C4' energy: -18.617
flat angles P-C4'-P energy: -14.680
tors. eta vs tors. theta energy: -19.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -218.840284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.840284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.840284 (E_RNA)
where:
Base-Base interactions energy: -149.216
where: short stacking energy: -64.313
Base-Backbone interact. energy: 0.332
local terms energy: -69.955702
where:
bonds (distance) C4'-P energy: -9.721
bonds (distance) P-C4' energy: -17.360
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -7.442
tors. eta vs tors. theta energy: -19.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -102.737811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.737811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.737811 (E_RNA)
where:
Base-Base interactions energy: -39.332
where: short stacking energy: -30.359
Base-Backbone interact. energy: 0.989
local terms energy: -64.395150
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -18.809
flat angles C4'-P-C4' energy: -10.813
flat angles P-C4'-P energy: -11.351
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: 3
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -88.556001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.556001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.556001 (E_RNA)
where:
Base-Base interactions energy: -33.903
where: short stacking energy: -27.811
Base-Backbone interact. energy: -0.150
local terms energy: -54.502482
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -10.761
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: 9, replica: 7
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -98.534694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.534694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.534694 (E_RNA)
where:
Base-Base interactions energy: -44.951
where: short stacking energy: -26.281
Base-Backbone interact. energy: -0.334
local terms energy: -53.250447
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -15.041
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -5.642
tors. eta vs tors. theta energy: -3.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -94.220142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.220142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.220142 (E_RNA)
where:
Base-Base interactions energy: -31.229
where: short stacking energy: -31.229
Base-Backbone interact. energy: 2.008
local terms energy: -64.998990
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: -6.982
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: 1, replica: 10
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -268.742177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.742177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.742177 (E_RNA)
where:
Base-Base interactions energy: -173.750
where: short stacking energy: -81.550
Base-Backbone interact. energy: -0.032
local terms energy: -94.960699
where:
bonds (distance) C4'-P energy: -19.663
bonds (distance) P-C4' energy: -19.028
flat angles C4'-P-C4' energy: -19.345
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -27.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -255.808228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.808228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.808228 (E_RNA)
where:
Base-Base interactions energy: -173.589
where: short stacking energy: -77.908
Base-Backbone interact. energy: -0.042
local terms energy: -82.176696
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -17.231
flat angles P-C4'-P energy: -14.228
tors. eta vs tors. theta energy: -24.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -264.690177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.690177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.690177 (E_RNA)
where:
Base-Base interactions energy: -178.695
where: short stacking energy: -87.720
Base-Backbone interact. energy: -0.102
local terms energy: -85.893668
where:
bonds (distance) C4'-P energy: -17.395
bonds (distance) P-C4' energy: -16.120
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -26.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -249.130797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.130797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.130797 (E_RNA)
where:
Base-Base interactions energy: -166.994
where: short stacking energy: -77.004
Base-Backbone interact. energy: -0.091
local terms energy: -82.046406
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -7.308
tors. eta vs tors. theta energy: -24.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -218.878104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.878104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.878104 (E_RNA)
where:
Base-Base interactions energy: -136.674
where: short stacking energy: -64.861
Base-Backbone interact. energy: 0.153
local terms energy: -82.357466
where:
bonds (distance) C4'-P energy: -16.987
bonds (distance) P-C4' energy: -13.636
flat angles C4'-P-C4' energy: -17.376
flat angles P-C4'-P energy: -16.170
tors. eta vs tors. theta energy: -18.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -214.380887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.380887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.380887 (E_RNA)
where:
Base-Base interactions energy: -136.347
where: short stacking energy: -62.473
Base-Backbone interact. energy: -0.017
local terms energy: -78.016429
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -15.741
tors. eta vs tors. theta energy: -17.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -102.768752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.768752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.768752 (E_RNA)
where:
Base-Base interactions energy: -39.355
where: short stacking energy: -37.077
Base-Backbone interact. energy: -0.444
local terms energy: -62.968763
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -16.621
flat angles C4'-P-C4' energy: -18.064
flat angles P-C4'-P energy: -9.495
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: 8, replica: 7
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -91.321552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.321552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.321552 (E_RNA)
where:
Base-Base interactions energy: -41.630
where: short stacking energy: -24.406
Base-Backbone interact. energy: -0.276
local terms energy: -49.415068
where:
bonds (distance) C4'-P energy: -18.110
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -5.281
tors. eta vs tors. theta energy: 1.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -94.427400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.427400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.427400 (E_RNA)
where:
Base-Base interactions energy: -29.506
where: short stacking energy: -29.506
Base-Backbone interact. energy: -0.089
local terms energy: -64.832062
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -17.899
flat angles C4'-P-C4' energy: -17.669
flat angles P-C4'-P energy: -4.982
tors. eta vs tors. theta energy: -12.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -75.092490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.092490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.092490 (E_RNA)
where:
Base-Base interactions energy: -21.017
where: short stacking energy: -12.914
Base-Backbone interact. energy: 0.034
local terms energy: -54.109327
where:
bonds (distance) C4'-P energy: -14.291
bonds (distance) P-C4' energy: -15.493
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: 0.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -254.328843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.328843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.328843 (E_RNA)
where:
Base-Base interactions energy: -167.161
where: short stacking energy: -79.526
Base-Backbone interact. energy: 1.143
local terms energy: -88.310365
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -18.657
flat angles C4'-P-C4' energy: -16.787
flat angles P-C4'-P energy: -12.879
tors. eta vs tors. theta energy: -24.055
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: 5
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -256.940747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.940747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.940747 (E_RNA)
where:
Base-Base interactions energy: -167.874
where: short stacking energy: -81.504
Base-Backbone interact. energy: -0.580
local terms energy: -88.486953
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -12.259
flat angles C4'-P-C4' energy: -18.508
flat angles P-C4'-P energy: -13.445
tors. eta vs tors. theta energy: -26.699
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: 9
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -261.422661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.422661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.422661 (E_RNA)
where:
Base-Base interactions energy: -172.095
where: short stacking energy: -85.362
Base-Backbone interact. energy: -0.059
local terms energy: -89.268522
where:
bonds (distance) C4'-P energy: -17.262
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -21.447
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -26.394
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: 2
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -244.225155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.225155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.225155 (E_RNA)
where:
Base-Base interactions energy: -159.982
where: short stacking energy: -72.822
Base-Backbone interact. energy: -0.068
local terms energy: -84.176088
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -12.770
flat angles C4'-P-C4' energy: -18.901
flat angles P-C4'-P energy: -13.161
tors. eta vs tors. theta energy: -24.462
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: 4
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -225.112692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.112692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.112692 (E_RNA)
where:
Base-Base interactions energy: -147.671
where: short stacking energy: -70.692
Base-Backbone interact. energy: -0.080
local terms energy: -77.361760
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -11.424
flat angles C4'-P-C4' energy: -16.947
flat angles P-C4'-P energy: -12.230
tors. eta vs tors. theta energy: -20.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -209.749378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.749378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.749378 (E_RNA)
where:
Base-Base interactions energy: -130.790
where: short stacking energy: -58.672
Base-Backbone interact. energy: -0.083
local terms energy: -78.876408
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -19.908
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -17.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -132.194905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.194905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.194905 (E_RNA)
where:
Base-Base interactions energy: -74.983
where: short stacking energy: -30.912
Base-Backbone interact. energy: -0.259
local terms energy: -56.952872
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -5.892
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: 8, replica: 8
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -94.347256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.347256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.347256 (E_RNA)
where:
Base-Base interactions energy: -46.069
where: short stacking energy: -30.197
Base-Backbone interact. energy: -0.798
local terms energy: -47.480395
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -11.750
flat angles C4'-P-C4' energy: -13.500
flat angles P-C4'-P energy: -7.500
tors. eta vs tors. theta energy: -0.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -82.493994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.493994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.493994 (E_RNA)
where:
Base-Base interactions energy: -37.703
where: short stacking energy: -29.605
Base-Backbone interact. energy: -0.177
local terms energy: -44.613701
where:
bonds (distance) C4'-P energy: -9.572
bonds (distance) P-C4' energy: -17.010
flat angles C4'-P-C4' energy: -17.077
flat angles P-C4'-P energy: -3.428
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: 10, replica: 3
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -85.530468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.530468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.530468 (E_RNA)
where:
Base-Base interactions energy: -28.589
where: short stacking energy: -27.102
Base-Backbone interact. energy: 0.656
local terms energy: -57.597456
where:
bonds (distance) C4'-P energy: -12.272
bonds (distance) P-C4' energy: -14.627
flat angles C4'-P-C4' energy: -17.355
flat angles P-C4'-P energy: -4.397
tors. eta vs tors. theta energy: -8.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -268.747233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.747233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.747233 (E_RNA)
where:
Base-Base interactions energy: -177.188
where: short stacking energy: -85.379
Base-Backbone interact. energy: -0.004
local terms energy: -91.555091
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -19.542
flat angles P-C4'-P energy: -13.757
tors. eta vs tors. theta energy: -26.483
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: 9
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -269.882566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.882566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.882566 (E_RNA)
where:
Base-Base interactions energy: -178.237
where: short stacking energy: -87.235
Base-Backbone interact. energy: 0.277
local terms energy: -91.922519
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -20.000
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -28.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -230.378256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.378256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.378256 (E_RNA)
where:
Base-Base interactions energy: -150.172
where: short stacking energy: -69.243
Base-Backbone interact. energy: -0.026
local terms energy: -80.180583
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -15.641
flat angles P-C4'-P energy: -12.295
tors. eta vs tors. theta energy: -21.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -257.144976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.144976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.144976 (E_RNA)
where:
Base-Base interactions energy: -176.442
where: short stacking energy: -74.132
Base-Backbone interact. energy: -0.075
local terms energy: -80.628153
where:
bonds (distance) C4'-P energy: -15.331
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -16.937
flat angles P-C4'-P energy: -7.229
tors. eta vs tors. theta energy: -26.400
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: 4
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -232.242965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.242965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.242965 (E_RNA)
where:
Base-Base interactions energy: -161.042
where: short stacking energy: -70.237
Base-Backbone interact. energy: -0.531
local terms energy: -70.670259
where:
bonds (distance) C4'-P energy: -17.842
bonds (distance) P-C4' energy: -12.484
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -2.898
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: 6, replica: 6
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -238.544905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.544905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.544905 (E_RNA)
where:
Base-Base interactions energy: -160.705
where: short stacking energy: -80.118
Base-Backbone interact. energy: -0.025
local terms energy: -77.815499
where:
bonds (distance) C4'-P energy: -10.381
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -18.292
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -25.264
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: 7
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -137.252686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.252686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.252686 (E_RNA)
where:
Base-Base interactions energy: -70.485
where: short stacking energy: -37.676
Base-Backbone interact. energy: -0.113
local terms energy: -66.654339
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -10.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -87.113116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.113116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.113116 (E_RNA)
where:
Base-Base interactions energy: -30.481
where: short stacking energy: -18.818
Base-Backbone interact. energy: -0.138
local terms energy: -56.493614
where:
bonds (distance) C4'-P energy: -7.935
bonds (distance) P-C4' energy: -21.361
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -13.464
tors. eta vs tors. theta energy: 1.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -100.047155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.047155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.047155 (E_RNA)
where:
Base-Base interactions energy: -40.003
where: short stacking energy: -28.896
Base-Backbone interact. energy: -0.074
local terms energy: -59.970033
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -15.465
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -7.575
tors. eta vs tors. theta energy: -8.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -85.169912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.169912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.169912 (E_RNA)
where:
Base-Base interactions energy: -24.583
where: short stacking energy: -24.583
Base-Backbone interact. energy: -0.096
local terms energy: -60.491047
where:
bonds (distance) C4'-P energy: -18.126
bonds (distance) P-C4' energy: -18.158
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -0.389
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: 9
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -263.752561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.752561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.752561 (E_RNA)
where:
Base-Base interactions energy: -172.396
where: short stacking energy: -77.899
Base-Backbone interact. energy: -0.110
local terms energy: -91.246748
where:
bonds (distance) C4'-P energy: -17.111
bonds (distance) P-C4' energy: -17.745
flat angles C4'-P-C4' energy: -17.909
flat angles P-C4'-P energy: -12.319
tors. eta vs tors. theta energy: -26.163
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: 2, replica: 10
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -261.460311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.460311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.460311 (E_RNA)
where:
Base-Base interactions energy: -172.859
where: short stacking energy: -83.994
Base-Backbone interact. energy: -0.017
local terms energy: -88.584474
where:
bonds (distance) C4'-P energy: -17.590
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -17.504
flat angles P-C4'-P energy: -12.205
tors. eta vs tors. theta energy: -26.387
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: 2
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -241.110143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.110143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.110143 (E_RNA)
where:
Base-Base interactions energy: -158.082
where: short stacking energy: -71.744
Base-Backbone interact. energy: -0.071
local terms energy: -82.956565
where:
bonds (distance) C4'-P energy: -16.262
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -13.572
tors. eta vs tors. theta energy: -21.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -240.455717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.455717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.455717 (E_RNA)
where:
Base-Base interactions energy: -154.906
where: short stacking energy: -82.224
Base-Backbone interact. energy: -0.008
local terms energy: -85.541601
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -15.217
flat angles C4'-P-C4' energy: -17.313
flat angles P-C4'-P energy: -14.635
tors. eta vs tors. theta energy: -23.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -242.949470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.949470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.949470 (E_RNA)
where:
Base-Base interactions energy: -161.486
where: short stacking energy: -66.432
Base-Backbone interact. energy: -0.100
local terms energy: -81.362801
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -15.820
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -13.186
tors. eta vs tors. theta energy: -21.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -216.866765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.866765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.866765 (E_RNA)
where:
Base-Base interactions energy: -146.657
where: short stacking energy: -69.367
Base-Backbone interact. energy: -0.104
local terms energy: -70.106179
where:
bonds (distance) C4'-P energy: -17.085
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -6.724
tors. eta vs tors. theta energy: -17.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -99.907537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.907537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.907537 (E_RNA)
where:
Base-Base interactions energy: -48.420
where: short stacking energy: -48.420
Base-Backbone interact. energy: -0.125
local terms energy: -51.362676
where:
bonds (distance) C4'-P energy: -17.006
bonds (distance) P-C4' energy: -20.895
flat angles C4'-P-C4' energy: -5.792
flat angles P-C4'-P energy: -5.702
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: 7
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -90.443413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.443413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.443413 (E_RNA)
where:
Base-Base interactions energy: -36.895
where: short stacking energy: -23.678
Base-Backbone interact. energy: -0.489
local terms energy: -53.059711
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -15.277
flat angles C4'-P-C4' energy: -12.165
flat angles P-C4'-P energy: -10.485
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: 9, replica: 3
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -80.528457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.528457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.528457 (E_RNA)
where:
Base-Base interactions energy: -21.854
where: short stacking energy: -20.144
Base-Backbone interact. energy: -0.258
local terms energy: -58.416343
where:
bonds (distance) C4'-P energy: -17.464
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -7.480
tors. eta vs tors. theta energy: -0.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -74.931734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.931734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.931734 (E_RNA)
where:
Base-Base interactions energy: -25.889
where: short stacking energy: -25.746
Base-Backbone interact. energy: -0.077
local terms energy: -48.965989
where:
bonds (distance) C4'-P energy: -8.146
bonds (distance) P-C4' energy: -16.659
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -6.133
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: 1, replica: 9
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -261.465887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.465887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.465887 (E_RNA)
where:
Base-Base interactions energy: -171.352
where: short stacking energy: -79.314
Base-Backbone interact. energy: -0.614
local terms energy: -89.499956
where:
bonds (distance) C4'-P energy: -16.874
bonds (distance) P-C4' energy: -18.051
flat angles C4'-P-C4' energy: -17.494
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -26.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -261.741974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.741974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.741974 (E_RNA)
where:
Base-Base interactions energy: -172.861
where: short stacking energy: -76.504
Base-Backbone interact. energy: 0.111
local terms energy: -88.992176
where:
bonds (distance) C4'-P energy: -16.600
bonds (distance) P-C4' energy: -16.295
flat angles C4'-P-C4' energy: -16.509
flat angles P-C4'-P energy: -13.453
tors. eta vs tors. theta energy: -26.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -256.006261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.006261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.006261 (E_RNA)
where:
Base-Base interactions energy: -164.168
where: short stacking energy: -79.742
Base-Backbone interact. energy: -0.051
local terms energy: -91.787177
where:
bonds (distance) C4'-P energy: -17.072
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -13.212
tors. eta vs tors. theta energy: -27.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -243.634354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.634354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.634354 (E_RNA)
where:
Base-Base interactions energy: -166.417
where: short stacking energy: -83.126
Base-Backbone interact. energy: -0.014
local terms energy: -77.203660
where:
bonds (distance) C4'-P energy: -10.340
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -23.789
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: 5
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -242.413540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.413540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.413540 (E_RNA)
where:
Base-Base interactions energy: -158.647
where: short stacking energy: -82.538
Base-Backbone interact. energy: -0.081
local terms energy: -83.685575
where:
bonds (distance) C4'-P energy: -18.430
bonds (distance) P-C4' energy: -15.294
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -22.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -213.072552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.072552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.072552 (E_RNA)
where:
Base-Base interactions energy: -128.884
where: short stacking energy: -60.458
Base-Backbone interact. energy: -0.102
local terms energy: -84.086168
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -18.042
flat angles P-C4'-P energy: -13.869
tors. eta vs tors. theta energy: -21.296
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: 1
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -120.992727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.992727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.992727 (E_RNA)
where:
Base-Base interactions energy: -64.883
where: short stacking energy: -27.746
Base-Backbone interact. energy: -0.263
local terms energy: -55.846418
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -12.445
flat angles C4'-P-C4' energy: -14.279
flat angles P-C4'-P energy: -11.078
tors. eta vs tors. theta energy: -2.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -84.866805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.866805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.866805 (E_RNA)
where:
Base-Base interactions energy: -35.981
where: short stacking energy: -29.343
Base-Backbone interact. energy: -0.464
local terms energy: -48.421776
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -19.115
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -1.312
tors. eta vs tors. theta energy: 1.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -89.021769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.021769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.021769 (E_RNA)
where:
Base-Base interactions energy: -31.704
where: short stacking energy: -23.467
Base-Backbone interact. energy: 0.200
local terms energy: -57.517842
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -16.999
flat angles C4'-P-C4' energy: -13.339
flat angles P-C4'-P energy: -12.841
tors. eta vs tors. theta energy: 0.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -84.334030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.334030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.334030 (E_RNA)
where:
Base-Base interactions energy: -33.785
where: short stacking energy: -33.785
Base-Backbone interact. energy: -0.345
local terms energy: -50.203821
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -11.158
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -2.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -267.367424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.367424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.367424 (E_RNA)
where:
Base-Base interactions energy: -174.618
where: short stacking energy: -81.443
Base-Backbone interact. energy: 0.144
local terms energy: -92.892846
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -19.542
flat angles C4'-P-C4' energy: -18.136
flat angles P-C4'-P energy: -12.545
tors. eta vs tors. theta energy: -27.251
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: 124
Temperature: 0.950000
Total energy: -257.718376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.718376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.718376 (E_RNA)
where:
Base-Base interactions energy: -174.870
where: short stacking energy: -78.940
Base-Backbone interact. energy: -0.010
local terms energy: -82.838013
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -22.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -248.809421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.809421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.809421 (E_RNA)
where:
Base-Base interactions energy: -160.180
where: short stacking energy: -74.698
Base-Backbone interact. energy: -0.085
local terms energy: -88.544701
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -20.140
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -11.654
tors. eta vs tors. theta energy: -24.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -255.513269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.513269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.513269 (E_RNA)
where:
Base-Base interactions energy: -173.597
where: short stacking energy: -75.457
Base-Backbone interact. energy: -0.172
local terms energy: -81.744415
where:
bonds (distance) C4'-P energy: -17.440
bonds (distance) P-C4' energy: -14.178
flat angles C4'-P-C4' energy: -16.645
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -24.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -231.058229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.058229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.058229 (E_RNA)
where:
Base-Base interactions energy: -145.534
where: short stacking energy: -63.812
Base-Backbone interact. energy: -0.257
local terms energy: -85.266965
where:
bonds (distance) C4'-P energy: -19.725
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -17.833
flat angles P-C4'-P energy: -8.289
tors. eta vs tors. theta energy: -22.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -224.607497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.607497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.607497 (E_RNA)
where:
Base-Base interactions energy: -150.121
where: short stacking energy: -62.781
Base-Backbone interact. energy: -0.627
local terms energy: -73.859407
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -12.623
flat angles P-C4'-P energy: -12.980
tors. eta vs tors. theta energy: -17.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -99.436537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.436537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.436537 (E_RNA)
where:
Base-Base interactions energy: -43.554
where: short stacking energy: -43.754
Base-Backbone interact. energy: -0.293
local terms energy: -55.590098
where:
bonds (distance) C4'-P energy: -7.665
bonds (distance) P-C4' energy: -19.036
flat angles C4'-P-C4' energy: -11.504
flat angles P-C4'-P energy: -13.139
tors. eta vs tors. theta energy: -4.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -119.883785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.883785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.883785 (E_RNA)
where:
Base-Base interactions energy: -63.084
where: short stacking energy: -36.813
Base-Backbone interact. energy: -0.403
local terms energy: -56.396684
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -16.648
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -6.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -90.237111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.237111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.237111 (E_RNA)
where:
Base-Base interactions energy: -27.169
where: short stacking energy: -26.703
Base-Backbone interact. energy: -0.005
local terms energy: -63.063250
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -10.952
tors. eta vs tors. theta energy: -5.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -82.828839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.828839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.828839 (E_RNA)
where:
Base-Base interactions energy: -24.002
where: short stacking energy: -23.023
Base-Backbone interact. energy: -0.214
local terms energy: -58.612734
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -20.523
flat angles C4'-P-C4' energy: -11.907
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -1.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -262.380346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.380346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.380346 (E_RNA)
where:
Base-Base interactions energy: -172.159
where: short stacking energy: -80.927
Base-Backbone interact. energy: -0.078
local terms energy: -90.143359
where:
bonds (distance) C4'-P energy: -17.255
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -18.073
flat angles P-C4'-P energy: -13.055
tors. eta vs tors. theta energy: -25.857
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: 2, replica: 6
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -266.163590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.163590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.163590 (E_RNA)
where:
Base-Base interactions energy: -176.776
where: short stacking energy: -82.336
Base-Backbone interact. energy: -0.102
local terms energy: -89.285521
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -17.212
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -27.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -253.002608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.002608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.002608 (E_RNA)
where:
Base-Base interactions energy: -171.851
where: short stacking energy: -80.173
Base-Backbone interact. energy: 0.390
local terms energy: -81.541956
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -16.128
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -24.725
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: 10
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -247.589547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.589547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.589547 (E_RNA)
where:
Base-Base interactions energy: -160.176
where: short stacking energy: -67.426
Base-Backbone interact. energy: -0.011
local terms energy: -87.402354
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -14.686
flat angles C4'-P-C4' energy: -20.105
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -24.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -244.613930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.613930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.613930 (E_RNA)
where:
Base-Base interactions energy: -160.721
where: short stacking energy: -72.998
Base-Backbone interact. energy: -0.373
local terms energy: -83.519598
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -17.161
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -23.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -217.071738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.071738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.071738 (E_RNA)
where:
Base-Base interactions energy: -135.256
where: short stacking energy: -59.495
Base-Backbone interact. energy: 0.008
local terms energy: -81.823959
where:
bonds (distance) C4'-P energy: -17.543
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -17.273
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -22.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -112.949499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.949499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.949499 (E_RNA)
where:
Base-Base interactions energy: -63.918
where: short stacking energy: -41.385
Base-Backbone interact. energy: -0.236
local terms energy: -48.795426
where:
bonds (distance) C4'-P energy: -11.976
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -4.768
tors. eta vs tors. theta energy: -2.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -131.077772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.077772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.077772 (E_RNA)
where:
Base-Base interactions energy: -62.363
where: short stacking energy: -39.495
Base-Backbone interact. energy: -0.322
local terms energy: -68.392937
where:
bonds (distance) C4'-P energy: -18.065
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -12.319
tors. eta vs tors. theta energy: -7.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -89.941515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.941515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.941515 (E_RNA)
where:
Base-Base interactions energy: -29.820
where: short stacking energy: -29.494
Base-Backbone interact. energy: -0.513
local terms energy: -59.608371
where:
bonds (distance) C4'-P energy: -10.464
bonds (distance) P-C4' energy: -17.780
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -4.340
tors. eta vs tors. theta energy: -11.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -94.762121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.762121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.762121 (E_RNA)
where:
Base-Base interactions energy: -40.009
where: short stacking energy: -33.883
Base-Backbone interact. energy: 2.022
local terms energy: -56.775541
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -12.171
flat angles C4'-P-C4' energy: -12.542
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -7.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -261.450728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.450728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.450728 (E_RNA)
where:
Base-Base interactions energy: -167.396
where: short stacking energy: -81.549
Base-Backbone interact. energy: -0.018
local terms energy: -94.036589
where:
bonds (distance) C4'-P energy: -18.503
bonds (distance) P-C4' energy: -18.399
flat angles C4'-P-C4' energy: -17.407
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -27.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -255.629687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.629687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.629687 (E_RNA)
where:
Base-Base interactions energy: -163.649
where: short stacking energy: -81.854
Base-Backbone interact. energy: -0.235
local terms energy: -91.745303
where:
bonds (distance) C4'-P energy: -17.000
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -18.771
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -27.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -245.256288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.256288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.256288 (E_RNA)
where:
Base-Base interactions energy: -159.616
where: short stacking energy: -64.219
Base-Backbone interact. energy: -0.080
local terms energy: -85.560143
where:
bonds (distance) C4'-P energy: -18.052
bonds (distance) P-C4' energy: -18.477
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -14.366
tors. eta vs tors. theta energy: -19.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -246.258907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.258907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.258907 (E_RNA)
where:
Base-Base interactions energy: -161.276
where: short stacking energy: -78.937
Base-Backbone interact. energy: -0.084
local terms energy: -84.898425
where:
bonds (distance) C4'-P energy: -16.651
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -18.454
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -23.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -221.693030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.693030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.693030 (E_RNA)
where:
Base-Base interactions energy: -152.749
where: short stacking energy: -62.619
Base-Backbone interact. energy: -0.040
local terms energy: -68.904270
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -13.014
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -12.071
tors. eta vs tors. theta energy: -16.663
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: 6, replica: 5
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -219.155276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.155276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.155276 (E_RNA)
where:
Base-Base interactions energy: -140.985
where: short stacking energy: -70.068
Base-Backbone interact. energy: -0.050
local terms energy: -78.120016
where:
bonds (distance) C4'-P energy: -10.976
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -18.317
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -20.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -100.996942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.996942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.996942 (E_RNA)
where:
Base-Base interactions energy: -48.630
where: short stacking energy: -32.673
Base-Backbone interact. energy: -1.879
local terms energy: -50.488105
where:
bonds (distance) C4'-P energy: -11.183
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -5.849
tors. eta vs tors. theta energy: -3.782
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: 3
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -99.662196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.662196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.662196 (E_RNA)
where:
Base-Base interactions energy: -36.661
where: short stacking energy: -36.661
Base-Backbone interact. energy: -0.140
local terms energy: -62.860784
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -17.335
flat angles C4'-P-C4' energy: -11.665
flat angles P-C4'-P energy: -11.513
tors. eta vs tors. theta energy: -9.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -91.765689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.765689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.765689 (E_RNA)
where:
Base-Base interactions energy: -34.217
where: short stacking energy: -26.323
Base-Backbone interact. energy: -0.322
local terms energy: -57.226523
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -13.002
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -10.581
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: 8
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -83.386645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.386645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.386645 (E_RNA)
where:
Base-Base interactions energy: -31.833
where: short stacking energy: -25.166
Base-Backbone interact. energy: -0.213
local terms energy: -51.339731
where:
bonds (distance) C4'-P energy: -16.860
bonds (distance) P-C4' energy: -13.682
flat angles C4'-P-C4' energy: -7.932
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -2.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -269.711491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.711491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.711491 (E_RNA)
where:
Base-Base interactions energy: -179.857
where: short stacking energy: -76.363
Base-Backbone interact. energy: -0.043
local terms energy: -89.812102
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -19.100
flat angles C4'-P-C4' energy: -17.075
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: -27.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -258.869800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.869800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.869800 (E_RNA)
where:
Base-Base interactions energy: -173.294
where: short stacking energy: -88.751
Base-Backbone interact. energy: -0.020
local terms energy: -85.556206
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: -27.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -253.056836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.056836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.056836 (E_RNA)
where:
Base-Base interactions energy: -161.142
where: short stacking energy: -75.689
Base-Backbone interact. energy: -0.363
local terms energy: -91.551290
where:
bonds (distance) C4'-P energy: -14.870
bonds (distance) P-C4' energy: -20.112
flat angles C4'-P-C4' energy: -20.351
flat angles P-C4'-P energy: -12.757
tors. eta vs tors. theta energy: -23.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -231.820761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.820761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.820761 (E_RNA)
where:
Base-Base interactions energy: -150.871
where: short stacking energy: -78.198
Base-Backbone interact. energy: -0.004
local terms energy: -80.945565
where:
bonds (distance) C4'-P energy: -15.865
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -17.887
flat angles P-C4'-P energy: -12.689
tors. eta vs tors. theta energy: -20.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -241.874352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.874352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.874352 (E_RNA)
where:
Base-Base interactions energy: -166.263
where: short stacking energy: -75.760
Base-Backbone interact. energy: -1.046
local terms energy: -74.565547
where:
bonds (distance) C4'-P energy: -16.194
bonds (distance) P-C4' energy: -16.517
flat angles C4'-P-C4' energy: -12.144
flat angles P-C4'-P energy: -6.461
tors. eta vs tors. theta energy: -23.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -225.898403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.898403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.898403 (E_RNA)
where:
Base-Base interactions energy: -148.066
where: short stacking energy: -62.705
Base-Backbone interact. energy: -0.092
local terms energy: -77.740358
where:
bonds (distance) C4'-P energy: -15.247
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -17.494
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -20.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -103.071303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.071303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.071303 (E_RNA)
where:
Base-Base interactions energy: -34.444
where: short stacking energy: -28.751
Base-Backbone interact. energy: -0.459
local terms energy: -68.169033
where:
bonds (distance) C4'-P energy: -19.208
bonds (distance) P-C4' energy: -18.093
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -3.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -88.104371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.104371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.104371 (E_RNA)
where:
Base-Base interactions energy: -26.946
where: short stacking energy: -17.352
Base-Backbone interact. energy: 0.711
local terms energy: -61.869228
where:
bonds (distance) C4'-P energy: -18.094
bonds (distance) P-C4' energy: -19.467
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -6.210
tors. eta vs tors. theta energy: -2.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -83.773887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.773887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.773887 (E_RNA)
where:
Base-Base interactions energy: -30.247
where: short stacking energy: -27.557
Base-Backbone interact. energy: -0.192
local terms energy: -53.334980
where:
bonds (distance) C4'-P energy: -15.604
bonds (distance) P-C4' energy: -19.617
flat angles C4'-P-C4' energy: -11.808
flat angles P-C4'-P energy: -3.496
tors. eta vs tors. theta energy: -2.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -88.706701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.706701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.706701 (E_RNA)
where:
Base-Base interactions energy: -41.830
where: short stacking energy: -25.638
Base-Backbone interact. energy: -0.155
local terms energy: -46.722568
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -14.993
flat angles C4'-P-C4' energy: -13.113
flat angles P-C4'-P energy: -7.218
tors. eta vs tors. theta energy: 1.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -269.011406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.011406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.011406 (E_RNA)
where:
Base-Base interactions energy: -179.280
where: short stacking energy: -84.241
Base-Backbone interact. energy: -0.034
local terms energy: -89.697256
where:
bonds (distance) C4'-P energy: -17.406
bonds (distance) P-C4' energy: -17.189
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -11.404
tors. eta vs tors. theta energy: -26.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -262.510656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.510656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.510656 (E_RNA)
where:
Base-Base interactions energy: -175.113
where: short stacking energy: -82.383
Base-Backbone interact. energy: -0.725
local terms energy: -86.672304
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -15.476
flat angles P-C4'-P energy: -17.214
tors. eta vs tors. theta energy: -25.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -232.925574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.925574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.925574 (E_RNA)
where:
Base-Base interactions energy: -146.561
where: short stacking energy: -74.494
Base-Backbone interact. energy: -0.012
local terms energy: -86.352617
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -17.965
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -16.267
tors. eta vs tors. theta energy: -23.176
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: 128
Temperature: 1.050000
Total energy: -241.216456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.216456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.216456 (E_RNA)
where:
Base-Base interactions energy: -152.984
where: short stacking energy: -78.483
Base-Backbone interact. energy: -0.039
local terms energy: -88.193519
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -19.304
flat angles P-C4'-P energy: -16.985
tors. eta vs tors. theta energy: -21.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -236.462108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.462108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.462108 (E_RNA)
where:
Base-Base interactions energy: -152.196
where: short stacking energy: -72.852
Base-Backbone interact. energy: -0.045
local terms energy: -84.220126
where:
bonds (distance) C4'-P energy: -18.026
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -17.529
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -22.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -225.620313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.620313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.620313 (E_RNA)
where:
Base-Base interactions energy: -136.526
where: short stacking energy: -67.439
Base-Backbone interact. energy: -0.004
local terms energy: -89.090705
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -20.358
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -22.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -121.114913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.114913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.114913 (E_RNA)
where:
Base-Base interactions energy: -61.275
where: short stacking energy: -40.086
Base-Backbone interact. energy: -0.521
local terms energy: -59.318955
where:
bonds (distance) C4'-P energy: -16.426
bonds (distance) P-C4' energy: -18.063
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -4.895
tors. eta vs tors. theta energy: -5.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -85.726631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.726631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.726631 (E_RNA)
where:
Base-Base interactions energy: -36.522
where: short stacking energy: -34.570
Base-Backbone interact. energy: -0.197
local terms energy: -49.007343
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -16.413
flat angles C4'-P-C4' energy: -11.827
flat angles P-C4'-P energy: -4.533
tors. eta vs tors. theta energy: -2.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -85.504726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.504726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.504726 (E_RNA)
where:
Base-Base interactions energy: -36.460
where: short stacking energy: -25.537
Base-Backbone interact. energy: -0.060
local terms energy: -48.984763
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -4.911
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: 10, replica: 3
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -86.375932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.375932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.375932 (E_RNA)
where:
Base-Base interactions energy: -34.486
where: short stacking energy: -34.486
Base-Backbone interact. energy: -0.126
local terms energy: -51.763785
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -10.203
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -2.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -266.890462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.890462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.890462 (E_RNA)
where:
Base-Base interactions energy: -173.780
where: short stacking energy: -87.473
Base-Backbone interact. energy: -0.096
local terms energy: -93.014069
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -20.354
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -26.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -258.753858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.753858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.753858 (E_RNA)
where:
Base-Base interactions energy: -170.631
where: short stacking energy: -80.007
Base-Backbone interact. energy: -0.086
local terms energy: -88.036507
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: -25.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -228.488080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.488080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.488080 (E_RNA)
where:
Base-Base interactions energy: -147.500
where: short stacking energy: -74.095
Base-Backbone interact. energy: -0.134
local terms energy: -80.854504
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -13.687
tors. eta vs tors. theta energy: -20.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -246.623355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.623355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.623355 (E_RNA)
where:
Base-Base interactions energy: -160.588
where: short stacking energy: -72.207
Base-Backbone interact. energy: -0.313
local terms energy: -85.722276
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -16.781
flat angles C4'-P-C4' energy: -16.595
flat angles P-C4'-P energy: -14.108
tors. eta vs tors. theta energy: -22.582
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: 5
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -231.673278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.673278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.673278 (E_RNA)
where:
Base-Base interactions energy: -150.707
where: short stacking energy: -64.920
Base-Backbone interact. energy: 0.461
local terms energy: -81.427702
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -12.660
flat angles C4'-P-C4' energy: -18.150
flat angles P-C4'-P energy: -13.871
tors. eta vs tors. theta energy: -21.753
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: 10
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -218.067832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.067832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.067832 (E_RNA)
where:
Base-Base interactions energy: -137.489
where: short stacking energy: -58.033
Base-Backbone interact. energy: -0.140
local terms energy: -80.438042
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -18.082
flat angles C4'-P-C4' energy: -18.886
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -20.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -109.110582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.110582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.110582 (E_RNA)
where:
Base-Base interactions energy: -47.071
where: short stacking energy: -35.791
Base-Backbone interact. energy: -0.203
local terms energy: -61.835854
where:
bonds (distance) C4'-P energy: -17.895
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -18.550
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: -2.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -91.213650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.213650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.213650 (E_RNA)
where:
Base-Base interactions energy: -42.453
where: short stacking energy: -29.068
Base-Backbone interact. energy: -0.772
local terms energy: -47.989243
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -12.600
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -8.034
tors. eta vs tors. theta energy: -0.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -85.675368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.675368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.675368 (E_RNA)
where:
Base-Base interactions energy: -27.991
where: short stacking energy: -27.026
Base-Backbone interact. energy: -1.538
local terms energy: -56.146183
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -17.963
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -7.333
tors. eta vs tors. theta energy: -4.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -78.182594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.182594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.182594 (E_RNA)
where:
Base-Base interactions energy: -21.625
where: short stacking energy: -21.725
Base-Backbone interact. energy: -0.100
local terms energy: -56.457007
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -6.405
tors. eta vs tors. theta energy: -0.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -269.566224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.566224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.566224 (E_RNA)
where:
Base-Base interactions energy: -177.405
where: short stacking energy: -82.807
Base-Backbone interact. energy: -0.083
local terms energy: -92.077692
where:
bonds (distance) C4'-P energy: -18.810
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -15.837
flat angles P-C4'-P energy: -13.651
tors. eta vs tors. theta energy: -24.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -262.748942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.748942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.748942 (E_RNA)
where:
Base-Base interactions energy: -170.558
where: short stacking energy: -85.355
Base-Backbone interact. energy: -0.006
local terms energy: -92.185091
where:
bonds (distance) C4'-P energy: -17.672
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -19.388
flat angles P-C4'-P energy: -13.995
tors. eta vs tors. theta energy: -26.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -250.156238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.156238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.156238 (E_RNA)
where:
Base-Base interactions energy: -170.749
where: short stacking energy: -81.210
Base-Backbone interact. energy: -0.607
local terms energy: -78.799816
where:
bonds (distance) C4'-P energy: -12.316
bonds (distance) P-C4' energy: -16.802
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -23.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -212.258500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.258500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.258500 (E_RNA)
where:
Base-Base interactions energy: -146.134
where: short stacking energy: -67.010
Base-Backbone interact. energy: 0.029
local terms energy: -66.153845
where:
bonds (distance) C4'-P energy: -13.398
bonds (distance) P-C4' energy: -16.930
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -8.867
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: 5, replica: 10
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -225.281580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.281580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.281580 (E_RNA)
where:
Base-Base interactions energy: -150.325
where: short stacking energy: -65.714
Base-Backbone interact. energy: -0.063
local terms energy: -74.893288
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -16.953
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -17.712
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: 5
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -225.975303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.975303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.975303 (E_RNA)
where:
Base-Base interactions energy: -146.018
where: short stacking energy: -69.547
Base-Backbone interact. energy: -0.011
local terms energy: -79.945717
where:
bonds (distance) C4'-P energy: -16.930
bonds (distance) P-C4' energy: -17.540
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -9.962
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: 7, replica: 8
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -102.768326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.768326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.768326 (E_RNA)
where:
Base-Base interactions energy: -41.978
where: short stacking energy: -37.575
Base-Backbone interact. energy: -0.104
local terms energy: -60.686107
where:
bonds (distance) C4'-P energy: -14.870
bonds (distance) P-C4' energy: -16.676
flat angles C4'-P-C4' energy: -8.963
flat angles P-C4'-P energy: -7.192
tors. eta vs tors. theta energy: -12.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -96.953021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.953021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.953021 (E_RNA)
where:
Base-Base interactions energy: -35.421
where: short stacking energy: -30.644
Base-Backbone interact. energy: -0.417
local terms energy: -61.115545
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -11.818
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -13.647
tors. eta vs tors. theta energy: -6.794
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: 130
Temperature: 1.300000
Total energy: -89.774118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.774118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.774118 (E_RNA)
where:
Base-Base interactions energy: -28.011
where: short stacking energy: -25.889
Base-Backbone interact. energy: -0.129
local terms energy: -61.634316
where:
bonds (distance) C4'-P energy: -11.637
bonds (distance) P-C4' energy: -14.484
flat angles C4'-P-C4' energy: -18.545
flat angles P-C4'-P energy: -10.500
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: 10, replica: 1
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -81.763006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.763006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.763006 (E_RNA)
where:
Base-Base interactions energy: -22.736
where: short stacking energy: -22.224
Base-Backbone interact. energy: -0.112
local terms energy: -58.914235
where:
bonds (distance) C4'-P energy: -18.173
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -17.618
flat angles P-C4'-P energy: -7.152
tors. eta vs tors. theta energy: -1.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -263.058662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.058662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.058662 (E_RNA)
where:
Base-Base interactions energy: -173.385
where: short stacking energy: -79.353
Base-Backbone interact. energy: -0.300
local terms energy: -89.373032
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -18.317
flat angles P-C4'-P energy: -11.767
tors. eta vs tors. theta energy: -25.749
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: 131
Temperature: 0.950000
Total energy: -249.398323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.398323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.398323 (E_RNA)
where:
Base-Base interactions energy: -164.874
where: short stacking energy: -78.630
Base-Backbone interact. energy: -1.573
local terms energy: -82.951343
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -13.628
flat angles C4'-P-C4' energy: -17.370
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -22.902
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: 3, replica: 6
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -258.063340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.063340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.063340 (E_RNA)
where:
Base-Base interactions energy: -169.374
where: short stacking energy: -74.355
Base-Backbone interact. energy: -0.365
local terms energy: -88.325157
where:
bonds (distance) C4'-P energy: -15.293
bonds (distance) P-C4' energy: -19.259
flat angles C4'-P-C4' energy: -16.179
flat angles P-C4'-P energy: -14.349
tors. eta vs tors. theta energy: -23.245
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: 10
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -239.941943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.941943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.941943 (E_RNA)
where:
Base-Base interactions energy: -156.736
where: short stacking energy: -84.768
Base-Backbone interact. energy: -0.612
local terms energy: -82.594290
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -19.089
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -7.766
tors. eta vs tors. theta energy: -25.050
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: 4
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -230.425020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.425020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.425020 (E_RNA)
where:
Base-Base interactions energy: -141.440
where: short stacking energy: -69.400
Base-Backbone interact. energy: -0.058
local terms energy: -88.926668
where:
bonds (distance) C4'-P energy: -18.516
bonds (distance) P-C4' energy: -18.675
flat angles C4'-P-C4' energy: -17.620
flat angles P-C4'-P energy: -13.056
tors. eta vs tors. theta energy: -21.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -237.970440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.970440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.970440 (E_RNA)
where:
Base-Base interactions energy: -157.152
where: short stacking energy: -75.832
Base-Backbone interact. energy: 0.014
local terms energy: -80.832113
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -13.852
flat angles C4'-P-C4' energy: -12.921
flat angles P-C4'-P energy: -14.152
tors. eta vs tors. theta energy: -24.487
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: 8
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -95.297950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.297950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.297950 (E_RNA)
where:
Base-Base interactions energy: -33.263
where: short stacking energy: -30.127
Base-Backbone interact. energy: -0.190
local terms energy: -61.844582
where:
bonds (distance) C4'-P energy: -17.858
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -11.557
tors. eta vs tors. theta energy: -1.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -97.091726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.091726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.091726 (E_RNA)
where:
Base-Base interactions energy: -28.664
where: short stacking energy: -22.299
Base-Backbone interact. energy: -0.607
local terms energy: -67.820114
where:
bonds (distance) C4'-P energy: -18.260
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -19.564
flat angles P-C4'-P energy: -12.830
tors. eta vs tors. theta energy: 0.278
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: 7
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -78.458091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.458091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.458091 (E_RNA)
where:
Base-Base interactions energy: -23.474
where: short stacking energy: -15.625
Base-Backbone interact. energy: -0.131
local terms energy: -54.853680
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -13.310
flat angles P-C4'-P energy: -10.231
tors. eta vs tors. theta energy: 0.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -99.278739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.278739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.278739 (E_RNA)
where:
Base-Base interactions energy: -46.651
where: short stacking energy: -21.319
Base-Backbone interact. energy: -0.131
local terms energy: -52.496291
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -8.704
flat angles P-C4'-P energy: -12.728
tors. eta vs tors. theta energy: -2.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -260.367813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.367813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.367813 (E_RNA)
where:
Base-Base interactions energy: -176.254
where: short stacking energy: -87.268
Base-Backbone interact. energy: 1.456
local terms energy: -85.569552
where:
bonds (distance) C4'-P energy: -18.231
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -14.962
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: 2, replica: 2
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -252.208638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.208638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.208638 (E_RNA)
where:
Base-Base interactions energy: -165.647
where: short stacking energy: -75.959
Base-Backbone interact. energy: 0.254
local terms energy: -86.815852
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -17.403
flat angles P-C4'-P energy: -15.468
tors. eta vs tors. theta energy: -23.593
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: 6
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -244.585935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.585935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.585935 (E_RNA)
where:
Base-Base interactions energy: -168.054
where: short stacking energy: -79.927
Base-Backbone interact. energy: -0.006
local terms energy: -76.526416
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -15.631
tors. eta vs tors. theta energy: -19.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -239.148271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.148271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.148271 (E_RNA)
where:
Base-Base interactions energy: -151.645
where: short stacking energy: -69.643
Base-Backbone interact. energy: -0.863
local terms energy: -86.640447
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -19.725
flat angles C4'-P-C4' energy: -20.365
flat angles P-C4'-P energy: -11.285
tors. eta vs tors. theta energy: -19.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -232.022988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.022988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.022988 (E_RNA)
where:
Base-Base interactions energy: -158.399
where: short stacking energy: -72.027
Base-Backbone interact. energy: -0.114
local terms energy: -73.510209
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -21.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -227.750068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.750068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.750068 (E_RNA)
where:
Base-Base interactions energy: -149.776
where: short stacking energy: -68.109
Base-Backbone interact. energy: -0.097
local terms energy: -77.877438
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -12.519
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: 7, replica: 8
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -93.451287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.451287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.451287 (E_RNA)
where:
Base-Base interactions energy: -39.347
where: short stacking energy: -36.011
Base-Backbone interact. energy: -0.586
local terms energy: -53.519027
where:
bonds (distance) C4'-P energy: -17.932
bonds (distance) P-C4' energy: -12.027
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -6.912
tors. eta vs tors. theta energy: -2.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -109.984934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.984934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.984934 (E_RNA)
where:
Base-Base interactions energy: -55.281
where: short stacking energy: -45.560
Base-Backbone interact. energy: 0.502
local terms energy: -55.205681
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -9.483
flat angles P-C4'-P energy: -7.179
tors. eta vs tors. theta energy: -3.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -97.367760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.367760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.367760 (E_RNA)
where:
Base-Base interactions energy: -43.211
where: short stacking energy: -34.361
Base-Backbone interact. energy: -0.274
local terms energy: -53.882156
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -13.576
flat angles C4'-P-C4' energy: -19.501
flat angles P-C4'-P energy: -8.650
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: 10, replica: 1
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -83.551768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.551768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.551768 (E_RNA)
where:
Base-Base interactions energy: -32.424
where: short stacking energy: -27.777
Base-Backbone interact. energy: -0.147
local terms energy: -50.980566
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -13.802
flat angles C4'-P-C4' energy: -10.081
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -3.782
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: 1, replica: 9
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -255.819399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.819399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.819399 (E_RNA)
where:
Base-Base interactions energy: -170.794
where: short stacking energy: -77.036
Base-Backbone interact. energy: -0.002
local terms energy: -85.024208
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -17.909
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -24.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -256.391213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.391213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.391213 (E_RNA)
where:
Base-Base interactions energy: -165.176
where: short stacking energy: -79.436
Base-Backbone interact. energy: -0.132
local terms energy: -91.083223
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -19.269
flat angles C4'-P-C4' energy: -19.630
flat angles P-C4'-P energy: -12.396
tors. eta vs tors. theta energy: -26.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -235.954067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.954067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.954067 (E_RNA)
where:
Base-Base interactions energy: -152.790
where: short stacking energy: -82.605
Base-Backbone interact. energy: -0.009
local terms energy: -83.155371
where:
bonds (distance) C4'-P energy: -13.740
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -18.586
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -24.991
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: 10
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -228.635100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.635100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.635100 (E_RNA)
where:
Base-Base interactions energy: -145.693
where: short stacking energy: -72.812
Base-Backbone interact. energy: -0.119
local terms energy: -82.823628
where:
bonds (distance) C4'-P energy: -18.087
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -17.181
flat angles P-C4'-P energy: -11.404
tors. eta vs tors. theta energy: -20.818
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: 5
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -233.791635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.791635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.791635 (E_RNA)
where:
Base-Base interactions energy: -159.439
where: short stacking energy: -67.731
Base-Backbone interact. energy: -0.108
local terms energy: -74.244167
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -14.077
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -14.435
tors. eta vs tors. theta energy: -20.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -227.644218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.644218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.644218 (E_RNA)
where:
Base-Base interactions energy: -140.085
where: short stacking energy: -63.307
Base-Backbone interact. energy: -0.009
local terms energy: -87.550699
where:
bonds (distance) C4'-P energy: -18.739
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -12.416
tors. eta vs tors. theta energy: -22.470
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: 133
Temperature: 1.200000
Total energy: -101.849282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.849282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.849282 (E_RNA)
where:
Base-Base interactions energy: -42.023
where: short stacking energy: -35.609
Base-Backbone interact. energy: -0.086
local terms energy: -59.740161
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -5.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -94.745074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.745074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.745074 (E_RNA)
where:
Base-Base interactions energy: -44.191
where: short stacking energy: -30.947
Base-Backbone interact. energy: 0.093
local terms energy: -50.647247
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -10.759
flat angles C4'-P-C4' energy: -16.508
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: 1.028
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: 3
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -79.933749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.933749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.933749 (E_RNA)
where:
Base-Base interactions energy: -27.826
where: short stacking energy: -27.826
Base-Backbone interact. energy: -0.159
local terms energy: -51.948913
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -16.788
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -6.986
tors. eta vs tors. theta energy: 3.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -97.570611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.570611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.570611 (E_RNA)
where:
Base-Base interactions energy: -33.578
where: short stacking energy: -32.768
Base-Backbone interact. energy: -0.593
local terms energy: -63.399694
where:
bonds (distance) C4'-P energy: -17.106
bonds (distance) P-C4' energy: -12.335
flat angles C4'-P-C4' energy: -17.486
flat angles P-C4'-P energy: -5.894
tors. eta vs tors. theta energy: -10.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -258.911281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.911281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.911281 (E_RNA)
where:
Base-Base interactions energy: -166.381
where: short stacking energy: -84.256
Base-Backbone interact. energy: -0.161
local terms energy: -92.368988
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -19.674
flat angles P-C4'-P energy: -14.035
tors. eta vs tors. theta energy: -25.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -255.601738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.601738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.601738 (E_RNA)
where:
Base-Base interactions energy: -166.952
where: short stacking energy: -76.656
Base-Backbone interact. energy: -0.059
local terms energy: -88.590682
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -18.424
flat angles C4'-P-C4' energy: -16.144
flat angles P-C4'-P energy: -13.071
tors. eta vs tors. theta energy: -24.319
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: 3, replica: 10
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -239.857940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.857940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.857940 (E_RNA)
where:
Base-Base interactions energy: -154.708
where: short stacking energy: -75.800
Base-Backbone interact. energy: -0.075
local terms energy: -85.075084
where:
bonds (distance) C4'-P energy: -11.628
bonds (distance) P-C4' energy: -18.346
flat angles C4'-P-C4' energy: -17.943
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -25.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -230.367252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.367252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.367252 (E_RNA)
where:
Base-Base interactions energy: -148.884
where: short stacking energy: -76.579
Base-Backbone interact. energy: -0.258
local terms energy: -81.224372
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -15.027
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -6.933
tors. eta vs tors. theta energy: -27.263
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: 5, replica: 5
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -247.248845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.248845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.248845 (E_RNA)
where:
Base-Base interactions energy: -161.531
where: short stacking energy: -72.503
Base-Backbone interact. energy: -0.245
local terms energy: -85.473335
where:
bonds (distance) C4'-P energy: -17.189
bonds (distance) P-C4' energy: -18.921
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -20.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -208.395411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.395411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.395411 (E_RNA)
where:
Base-Base interactions energy: -128.384
where: short stacking energy: -60.768
Base-Backbone interact. energy: -0.073
local terms energy: -79.938958
where:
bonds (distance) C4'-P energy: -17.248
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -19.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -150.825852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.825852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.825852 (E_RNA)
where:
Base-Base interactions energy: -92.999
where: short stacking energy: -47.051
Base-Backbone interact. energy: -0.203
local terms energy: -57.623161
where:
bonds (distance) C4'-P energy: -16.907
bonds (distance) P-C4' energy: -9.927
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -7.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -104.109239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.109239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.109239 (E_RNA)
where:
Base-Base interactions energy: -39.131
where: short stacking energy: -39.131
Base-Backbone interact. energy: -0.082
local terms energy: -64.895899
where:
bonds (distance) C4'-P energy: -14.622
bonds (distance) P-C4' energy: -17.431
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -8.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -86.763951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.763951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.763951 (E_RNA)
where:
Base-Base interactions energy: -34.819
where: short stacking energy: -18.833
Base-Backbone interact. energy: -0.316
local terms energy: -51.629334
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -7.950
tors. eta vs tors. theta energy: 0.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -95.950140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.950140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.950140 (E_RNA)
where:
Base-Base interactions energy: -39.346
where: short stacking energy: -28.913
Base-Backbone interact. energy: -0.103
local terms energy: -56.501071
where:
bonds (distance) C4'-P energy: -15.392
bonds (distance) P-C4' energy: -14.956
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -2.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -262.189561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.189561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.189561 (E_RNA)
where:
Base-Base interactions energy: -173.419
where: short stacking energy: -85.879
Base-Backbone interact. energy: -0.024
local terms energy: -88.746095
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -18.641
flat angles P-C4'-P energy: -14.529
tors. eta vs tors. theta energy: -27.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -259.975228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.975228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.975228 (E_RNA)
where:
Base-Base interactions energy: -170.179
where: short stacking energy: -82.048
Base-Backbone interact. energy: -0.094
local terms energy: -89.702437
where:
bonds (distance) C4'-P energy: -17.555
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -13.043
tors. eta vs tors. theta energy: -27.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -234.569923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.569923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.569923 (E_RNA)
where:
Base-Base interactions energy: -158.284
where: short stacking energy: -66.148
Base-Backbone interact. energy: -0.078
local terms energy: -76.208003
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -18.152
flat angles P-C4'-P energy: -10.175
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: 4, replica: 5
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -256.346684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.346684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.346684 (E_RNA)
where:
Base-Base interactions energy: -173.933
where: short stacking energy: -83.225
Base-Backbone interact. energy: -0.309
local terms energy: -82.105054
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -17.763
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -24.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -241.974363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.974363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.974363 (E_RNA)
where:
Base-Base interactions energy: -156.872
where: short stacking energy: -69.459
Base-Backbone interact. energy: -0.095
local terms energy: -85.007533
where:
bonds (distance) C4'-P energy: -18.729
bonds (distance) P-C4' energy: -15.091
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -21.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -215.537802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.537802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.537802 (E_RNA)
where:
Base-Base interactions energy: -139.329
where: short stacking energy: -63.729
Base-Backbone interact. energy: -0.114
local terms energy: -76.095134
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -18.038
flat angles P-C4'-P energy: -13.951
tors. eta vs tors. theta energy: -17.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -142.238881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.238881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.238881 (E_RNA)
where:
Base-Base interactions energy: -80.873
where: short stacking energy: -37.743
Base-Backbone interact. energy: 3.256
local terms energy: -64.621168
where:
bonds (distance) C4'-P energy: -10.633
bonds (distance) P-C4' energy: -20.790
flat angles C4'-P-C4' energy: -13.122
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: -7.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -95.493834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.493834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.493834 (E_RNA)
where:
Base-Base interactions energy: -38.872
where: short stacking energy: -33.130
Base-Backbone interact. energy: -0.170
local terms energy: -56.451200
where:
bonds (distance) C4'-P energy: -12.072
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -16.986
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -3.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -83.628533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.628533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.628533 (E_RNA)
where:
Base-Base interactions energy: -25.305
where: short stacking energy: -24.664
Base-Backbone interact. energy: -0.497
local terms energy: -57.826841
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -12.166
tors. eta vs tors. theta energy: 0.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -80.546134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.546134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.546134 (E_RNA)
where:
Base-Base interactions energy: -21.080
where: short stacking energy: -14.798
Base-Backbone interact. energy: 0.547
local terms energy: -60.012357
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -20.423
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -0.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -253.364179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.364179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.364179 (E_RNA)
where:
Base-Base interactions energy: -160.353
where: short stacking energy: -75.183
Base-Backbone interact. energy: -0.141
local terms energy: -92.869735
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -20.927
flat angles C4'-P-C4' energy: -20.684
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: -22.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -262.906181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.906181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.906181 (E_RNA)
where:
Base-Base interactions energy: -175.312
where: short stacking energy: -83.410
Base-Backbone interact. energy: -0.309
local terms energy: -87.285440
where:
bonds (distance) C4'-P energy: -19.754
bonds (distance) P-C4' energy: -17.291
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -26.174
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: 3, replica: 5
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -250.058423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.058423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.058423 (E_RNA)
where:
Base-Base interactions energy: -169.330
where: short stacking energy: -76.012
Base-Backbone interact. energy: 0.055
local terms energy: -80.783153
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -14.052
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -11.589
tors. eta vs tors. theta energy: -24.341
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: 10
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -241.251993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.251993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.251993 (E_RNA)
where:
Base-Base interactions energy: -161.715
where: short stacking energy: -74.410
Base-Backbone interact. energy: -0.004
local terms energy: -79.533012
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -18.862
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -20.847
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: 2
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -241.125198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.125198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.125198 (E_RNA)
where:
Base-Base interactions energy: -156.387
where: short stacking energy: -84.105
Base-Backbone interact. energy: -0.020
local terms energy: -84.719122
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -24.196
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: 6, replica: 4
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -227.762715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.762715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.762715 (E_RNA)
where:
Base-Base interactions energy: -151.530
where: short stacking energy: -61.326
Base-Backbone interact. energy: -0.555
local terms energy: -75.677298
where:
bonds (distance) C4'-P energy: -17.224
bonds (distance) P-C4' energy: -16.179
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -7.752
tors. eta vs tors. theta energy: -19.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -103.739279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.739279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.739279 (E_RNA)
where:
Base-Base interactions energy: -41.309
where: short stacking energy: -35.666
Base-Backbone interact. energy: 1.109
local terms energy: -63.539374
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -19.358
flat angles P-C4'-P energy: -12.731
tors. eta vs tors. theta energy: -3.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -92.076208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.076208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.076208 (E_RNA)
where:
Base-Base interactions energy: -36.053
where: short stacking energy: -32.189
Base-Backbone interact. energy: -0.358
local terms energy: -55.664575
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -14.693
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -4.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -90.493139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.493139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.493139 (E_RNA)
where:
Base-Base interactions energy: -29.311
where: short stacking energy: -17.219
Base-Backbone interact. energy: -0.288
local terms energy: -60.894036
where:
bonds (distance) C4'-P energy: -15.457
bonds (distance) P-C4' energy: -19.821
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -0.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -82.047481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.047481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.047481 (E_RNA)
where:
Base-Base interactions energy: -23.263
where: short stacking energy: -23.213
Base-Backbone interact. energy: -0.181
local terms energy: -58.602780
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -14.316
flat angles C4'-P-C4' energy: -11.562
flat angles P-C4'-P energy: -12.258
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: 1, replica: 6
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -262.798026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.798026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.798026 (E_RNA)
where:
Base-Base interactions energy: -173.804
where: short stacking energy: -80.869
Base-Backbone interact. energy: -0.002
local terms energy: -88.992392
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -18.458
flat angles P-C4'-P energy: -11.785
tors. eta vs tors. theta energy: -26.857
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: 2, replica: 5
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -264.264224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.264224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.264224 (E_RNA)
where:
Base-Base interactions energy: -180.287
where: short stacking energy: -76.216
Base-Backbone interact. energy: -0.102
local terms energy: -83.875437
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -24.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -257.984387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.984387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.984387 (E_RNA)
where:
Base-Base interactions energy: -166.160
where: short stacking energy: -78.805
Base-Backbone interact. energy: -0.006
local terms energy: -91.818021
where:
bonds (distance) C4'-P energy: -16.973
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -18.974
flat angles P-C4'-P energy: -14.419
tors. eta vs tors. theta energy: -23.394
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: 2
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -244.730317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.730317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.730317 (E_RNA)
where:
Base-Base interactions energy: -156.716
where: short stacking energy: -67.944
Base-Backbone interact. energy: 0.184
local terms energy: -88.198451
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -20.187
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -22.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -227.543011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.543011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.543011 (E_RNA)
where:
Base-Base interactions energy: -144.165
where: short stacking energy: -74.562
Base-Backbone interact. energy: -0.639
local terms energy: -82.739176
where:
bonds (distance) C4'-P energy: -17.903
bonds (distance) P-C4' energy: -19.232
flat angles C4'-P-C4' energy: -17.601
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -18.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -211.008632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.008632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.008632 (E_RNA)
where:
Base-Base interactions energy: -135.930
where: short stacking energy: -64.948
Base-Backbone interact. energy: -0.154
local terms energy: -74.924132
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -14.108
flat angles C4'-P-C4' energy: -17.594
flat angles P-C4'-P energy: -5.387
tors. eta vs tors. theta energy: -21.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -100.469944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.469944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.469944 (E_RNA)
where:
Base-Base interactions energy: -42.435
where: short stacking energy: -25.305
Base-Backbone interact. energy: 0.244
local terms energy: -58.278956
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -13.277
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -3.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -90.633054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.633054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.633054 (E_RNA)
where:
Base-Base interactions energy: -35.330
where: short stacking energy: -35.330
Base-Backbone interact. energy: -0.091
local terms energy: -55.211386
where:
bonds (distance) C4'-P energy: -13.976
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -5.253
tors. eta vs tors. theta energy: -7.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -88.373810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.373810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.373810 (E_RNA)
where:
Base-Base interactions energy: -33.777
where: short stacking energy: -24.371
Base-Backbone interact. energy: 0.226
local terms energy: -54.822494
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -18.430
flat angles P-C4'-P energy: -7.954
tors. eta vs tors. theta energy: 1.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -88.791459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.791459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.791459 (E_RNA)
where:
Base-Base interactions energy: -29.570
where: short stacking energy: -25.770
Base-Backbone interact. energy: -0.094
local terms energy: -59.128223
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -9.905
flat angles P-C4'-P energy: -13.298
tors. eta vs tors. theta energy: -4.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -269.977523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.977523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.977523 (E_RNA)
where:
Base-Base interactions energy: -182.478
where: short stacking energy: -89.862
Base-Backbone interact. energy: -0.172
local terms energy: -87.327822
where:
bonds (distance) C4'-P energy: -12.589
bonds (distance) P-C4' energy: -19.696
flat angles C4'-P-C4' energy: -19.620
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -26.732
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: 6
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -260.677377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.677377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.677377 (E_RNA)
where:
Base-Base interactions energy: -168.823
where: short stacking energy: -86.405
Base-Backbone interact. energy: -0.002
local terms energy: -91.852346
where:
bonds (distance) C4'-P energy: -17.108
bonds (distance) P-C4' energy: -14.341
flat angles C4'-P-C4' energy: -19.084
flat angles P-C4'-P energy: -14.284
tors. eta vs tors. theta energy: -27.036
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: 9
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -246.069585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.069585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.069585 (E_RNA)
where:
Base-Base interactions energy: -166.168
where: short stacking energy: -78.939
Base-Backbone interact. energy: -0.376
local terms energy: -79.525769
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -23.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -237.943471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.943471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.943471 (E_RNA)
where:
Base-Base interactions energy: -158.793
where: short stacking energy: -72.643
Base-Backbone interact. energy: -0.003
local terms energy: -79.147536
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -19.925
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -21.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -221.398829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.398829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.398829 (E_RNA)
where:
Base-Base interactions energy: -139.637
where: short stacking energy: -58.265
Base-Backbone interact. energy: -0.086
local terms energy: -81.675166
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -17.823
flat angles C4'-P-C4' energy: -18.388
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -19.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -203.347906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.347906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.347906 (E_RNA)
where:
Base-Base interactions energy: -121.904
where: short stacking energy: -60.233
Base-Backbone interact. energy: -0.234
local terms energy: -81.209077
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -17.197
flat angles C4'-P-C4' energy: -17.598
flat angles P-C4'-P energy: -14.782
tors. eta vs tors. theta energy: -16.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -97.958631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.958631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.958631 (E_RNA)
where:
Base-Base interactions energy: -36.434
where: short stacking energy: -36.426
Base-Backbone interact. energy: -0.247
local terms energy: -61.278086
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -8.267
tors. eta vs tors. theta energy: -6.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -83.320070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.320070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.320070 (E_RNA)
where:
Base-Base interactions energy: -24.947
where: short stacking energy: -25.747
Base-Backbone interact. energy: 0.459
local terms energy: -58.832281
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -20.073
flat angles C4'-P-C4' energy: -9.660
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -5.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -110.886100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.886100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.886100 (E_RNA)
where:
Base-Base interactions energy: -54.564
where: short stacking energy: -26.929
Base-Backbone interact. energy: -0.162
local terms energy: -56.160170
where:
bonds (distance) C4'-P energy: -15.497
bonds (distance) P-C4' energy: -11.034
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -7.409
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: 7
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -96.420576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.420576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.420576 (E_RNA)
where:
Base-Base interactions energy: -41.857
where: short stacking energy: -27.722
Base-Backbone interact. energy: -0.313
local terms energy: -54.250557
where:
bonds (distance) C4'-P energy: -18.339
bonds (distance) P-C4' energy: -17.173
flat angles C4'-P-C4' energy: -11.746
flat angles P-C4'-P energy: -4.321
tors. eta vs tors. theta energy: -2.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -266.710478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.710478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.710478 (E_RNA)
where:
Base-Base interactions energy: -174.323
where: short stacking energy: -89.652
Base-Backbone interact. energy: 0.964
local terms energy: -93.350787
where:
bonds (distance) C4'-P energy: -17.021
bonds (distance) P-C4' energy: -18.592
flat angles C4'-P-C4' energy: -19.154
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -25.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -249.497527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.497527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.497527 (E_RNA)
where:
Base-Base interactions energy: -166.376
where: short stacking energy: -79.953
Base-Backbone interact. energy: -0.023
local terms energy: -83.098711
where:
bonds (distance) C4'-P energy: -11.611
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -17.591
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -26.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -248.181470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.181470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.181470 (E_RNA)
where:
Base-Base interactions energy: -160.939
where: short stacking energy: -70.548
Base-Backbone interact. energy: -0.007
local terms energy: -87.235569
where:
bonds (distance) C4'-P energy: -15.180
bonds (distance) P-C4' energy: -15.640
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -15.846
tors. eta vs tors. theta energy: -25.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -240.659957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.659957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.659957 (E_RNA)
where:
Base-Base interactions energy: -156.664
where: short stacking energy: -73.857
Base-Backbone interact. energy: -0.005
local terms energy: -83.991522
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -17.841
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -22.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -243.985748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.985748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.985748 (E_RNA)
where:
Base-Base interactions energy: -159.297
where: short stacking energy: -74.324
Base-Backbone interact. energy: -0.003
local terms energy: -84.685935
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -14.425
tors. eta vs tors. theta energy: -23.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -214.659077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.659077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.659077 (E_RNA)
where:
Base-Base interactions energy: -145.055
where: short stacking energy: -68.852
Base-Backbone interact. energy: -0.103
local terms energy: -69.500682
where:
bonds (distance) C4'-P energy: -10.289
bonds (distance) P-C4' energy: -14.276
flat angles C4'-P-C4' energy: -14.710
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: -20.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -100.424024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.424024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.424024 (E_RNA)
where:
Base-Base interactions energy: -40.638
where: short stacking energy: -34.227
Base-Backbone interact. energy: 0.733
local terms energy: -60.518821
where:
bonds (distance) C4'-P energy: -16.265
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -1.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -104.007276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.007276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.007276 (E_RNA)
where:
Base-Base interactions energy: -58.212
where: short stacking energy: -29.378
Base-Backbone interact. energy: -0.183
local terms energy: -45.611589
where:
bonds (distance) C4'-P energy: -10.878
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -6.988
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: 9, replica: 1
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -96.630416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.630416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.630416 (E_RNA)
where:
Base-Base interactions energy: -33.074
where: short stacking energy: -33.074
Base-Backbone interact. energy: -0.048
local terms energy: -63.509153
where:
bonds (distance) C4'-P energy: -15.110
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -15.250
flat angles P-C4'-P energy: -8.755
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: 10, replica: 7
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -84.699179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.699179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.699179 (E_RNA)
where:
Base-Base interactions energy: -34.792
where: short stacking energy: -26.995
Base-Backbone interact. energy: -1.625
local terms energy: -48.282018
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -16.345
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -6.165
tors. eta vs tors. theta energy: 1.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -262.937613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.937613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.937613 (E_RNA)
where:
Base-Base interactions energy: -177.832
where: short stacking energy: -92.350
Base-Backbone interact. energy: -0.043
local terms energy: -85.062179
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -19.309
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -25.830
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: 5
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -250.105346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.105346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.105346 (E_RNA)
where:
Base-Base interactions energy: -159.604
where: short stacking energy: -80.422
Base-Backbone interact. energy: -0.114
local terms energy: -90.387351
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -20.796
flat angles C4'-P-C4' energy: -17.619
flat angles P-C4'-P energy: -12.588
tors. eta vs tors. theta energy: -24.002
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: 3, replica: 4
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -247.861408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.861408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.861408 (E_RNA)
where:
Base-Base interactions energy: -163.857
where: short stacking energy: -75.307
Base-Backbone interact. energy: -0.039
local terms energy: -83.965713
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -17.823
flat angles C4'-P-C4' energy: -17.190
flat angles P-C4'-P energy: -7.808
tors. eta vs tors. theta energy: -23.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -239.436824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.436824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.436824 (E_RNA)
where:
Base-Base interactions energy: -152.066
where: short stacking energy: -69.850
Base-Backbone interact. energy: -0.001
local terms energy: -87.370170
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -17.715
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: -25.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -250.543682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.543682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.543682 (E_RNA)
where:
Base-Base interactions energy: -167.049
where: short stacking energy: -81.038
Base-Backbone interact. energy: -0.004
local terms energy: -83.490685
where:
bonds (distance) C4'-P energy: -10.841
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -18.262
flat angles P-C4'-P energy: -13.020
tors. eta vs tors. theta energy: -26.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -217.729041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.729041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.729041 (E_RNA)
where:
Base-Base interactions energy: -139.586
where: short stacking energy: -56.511
Base-Backbone interact. energy: -0.160
local terms energy: -77.982298
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -19.076
flat angles P-C4'-P energy: -15.450
tors. eta vs tors. theta energy: -17.611
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: 7, replica: 3
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -100.533656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.533656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.533656 (E_RNA)
where:
Base-Base interactions energy: -32.951
where: short stacking energy: -32.951
Base-Backbone interact. energy: -0.065
local terms energy: -67.517497
where:
bonds (distance) C4'-P energy: -19.419
bonds (distance) P-C4' energy: -13.446
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -13.638
tors. eta vs tors. theta energy: -8.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -104.932456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.932456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.932456 (E_RNA)
where:
Base-Base interactions energy: -53.658
where: short stacking energy: -18.350
Base-Backbone interact. energy: -0.222
local terms energy: -51.052218
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -11.571
flat angles P-C4'-P energy: -6.654
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: 9, replica: 7
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -90.930492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.930492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.930492 (E_RNA)
where:
Base-Base interactions energy: -34.244
where: short stacking energy: -34.244
Base-Backbone interact. energy: -0.808
local terms energy: -55.879111
where:
bonds (distance) C4'-P energy: -12.569
bonds (distance) P-C4' energy: -15.550
flat angles C4'-P-C4' energy: -17.152
flat angles P-C4'-P energy: -9.095
tors. eta vs tors. theta energy: -1.513
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: 1
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -84.511775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.511775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.511775 (E_RNA)
where:
Base-Base interactions energy: -24.428
where: short stacking energy: -24.250
Base-Backbone interact. energy: -0.491
local terms energy: -59.592277
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -10.123
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: 9
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -267.308248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.308248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.308248 (E_RNA)
where:
Base-Base interactions energy: -168.769
where: short stacking energy: -83.113
Base-Backbone interact. energy: -0.019
local terms energy: -98.519834
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -19.319
flat angles C4'-P-C4' energy: -19.997
flat angles P-C4'-P energy: -15.335
tors. eta vs tors. theta energy: -28.869
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: 4
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -263.801111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.801111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.801111 (E_RNA)
where:
Base-Base interactions energy: -174.082
where: short stacking energy: -79.073
Base-Backbone interact. energy: -0.051
local terms energy: -89.668000
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -24.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -249.270086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.270086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.270086 (E_RNA)
where:
Base-Base interactions energy: -158.896
where: short stacking energy: -75.627
Base-Backbone interact. energy: -0.306
local terms energy: -90.068058
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -19.650
flat angles C4'-P-C4' energy: -16.824
flat angles P-C4'-P energy: -13.730
tors. eta vs tors. theta energy: -25.268
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: 2
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -246.996269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.996269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.996269 (E_RNA)
where:
Base-Base interactions energy: -166.855
where: short stacking energy: -79.293
Base-Backbone interact. energy: -0.025
local terms energy: -80.116819
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -18.021
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -24.745
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: 6
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -228.679398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.679398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.679398 (E_RNA)
where:
Base-Base interactions energy: -148.784
where: short stacking energy: -61.392
Base-Backbone interact. energy: -0.059
local terms energy: -79.836330
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -18.530
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -20.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -207.841338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.841338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.841338 (E_RNA)
where:
Base-Base interactions energy: -130.497
where: short stacking energy: -58.776
Base-Backbone interact. energy: -0.220
local terms energy: -77.124654
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -20.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -104.181099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.181099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.181099 (E_RNA)
where:
Base-Base interactions energy: -38.269
where: short stacking energy: -38.269
Base-Backbone interact. energy: -0.092
local terms energy: -65.820218
where:
bonds (distance) C4'-P energy: -16.606
bonds (distance) P-C4' energy: -16.497
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -9.127
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: 8, replica: 7
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -96.305785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.305785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.305785 (E_RNA)
where:
Base-Base interactions energy: -51.972
where: short stacking energy: -31.518
Base-Backbone interact. energy: -0.178
local terms energy: -44.155218
where:
bonds (distance) C4'-P energy: -8.076
bonds (distance) P-C4' energy: -12.459
flat angles C4'-P-C4' energy: -15.824
flat angles P-C4'-P energy: -4.869
tors. eta vs tors. theta energy: -2.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -99.736758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.736758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.736758 (E_RNA)
where:
Base-Base interactions energy: -42.554
where: short stacking energy: -33.482
Base-Backbone interact. energy: -0.021
local terms energy: -57.161877
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -14.971
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -6.597
tors. eta vs tors. theta energy: -5.576
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: 10, replica: 1
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -95.091594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.091594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.091594 (E_RNA)
where:
Base-Base interactions energy: -28.923
where: short stacking energy: -28.236
Base-Backbone interact. energy: -0.015
local terms energy: -66.152962
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -15.943
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -7.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -264.582323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.582323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.582323 (E_RNA)
where:
Base-Base interactions energy: -174.793
where: short stacking energy: -77.845
Base-Backbone interact. energy: -0.019
local terms energy: -89.770649
where:
bonds (distance) C4'-P energy: -18.623
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -18.983
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -25.606
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: 9
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -264.996725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.996725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.996725 (E_RNA)
where:
Base-Base interactions energy: -170.039
where: short stacking energy: -85.124
Base-Backbone interact. energy: -0.008
local terms energy: -94.950120
where:
bonds (distance) C4'-P energy: -18.670
bonds (distance) P-C4' energy: -17.003
flat angles C4'-P-C4' energy: -20.419
flat angles P-C4'-P energy: -12.285
tors. eta vs tors. theta energy: -26.574
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: 142
Temperature: 1.000000
Total energy: -258.512754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.512754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.512754 (E_RNA)
where:
Base-Base interactions energy: -171.190
where: short stacking energy: -85.163
Base-Backbone interact. energy: -0.008
local terms energy: -87.314573
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -15.412
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -13.492
tors. eta vs tors. theta energy: -27.499
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: 5
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -234.709522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.709522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.709522 (E_RNA)
where:
Base-Base interactions energy: -154.535
where: short stacking energy: -67.408
Base-Backbone interact. energy: 0.441
local terms energy: -80.615836
where:
bonds (distance) C4'-P energy: -18.639
bonds (distance) P-C4' energy: -17.057
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -8.694
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: 5, replica: 6
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -220.571095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.571095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.571095 (E_RNA)
where:
Base-Base interactions energy: -152.537
where: short stacking energy: -69.303
Base-Backbone interact. energy: -0.205
local terms energy: -67.828956
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -10.530
flat angles C4'-P-C4' energy: -11.671
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: -19.132
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: 6, replica: 10
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -205.353645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.353645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.353645 (E_RNA)
where:
Base-Base interactions energy: -127.728
where: short stacking energy: -58.708
Base-Backbone interact. energy: -0.096
local terms energy: -77.529631
where:
bonds (distance) C4'-P energy: -19.796
bonds (distance) P-C4' energy: -17.565
flat angles C4'-P-C4' energy: -12.734
flat angles P-C4'-P energy: -10.943
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: 7, replica: 7
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -115.008891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.008891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.008891 (E_RNA)
where:
Base-Base interactions energy: -57.053
where: short stacking energy: -25.255
Base-Backbone interact. energy: -0.603
local terms energy: -57.353035
where:
bonds (distance) C4'-P energy: -10.509
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -9.191
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: 8, replica: 3
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -100.039272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.039272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.039272 (E_RNA)
where:
Base-Base interactions energy: -35.949
where: short stacking energy: -35.949
Base-Backbone interact. energy: -0.094
local terms energy: -63.995979
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -11.506
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: 9, replica: 8
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -90.713645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.713645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.713645 (E_RNA)
where:
Base-Base interactions energy: -52.319
where: short stacking energy: -20.899
Base-Backbone interact. energy: -0.203
local terms energy: -38.191231
where:
bonds (distance) C4'-P energy: -7.169
bonds (distance) P-C4' energy: -10.608
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -8.468
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: 10, replica: 1
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -82.372847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.372847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.372847 (E_RNA)
where:
Base-Base interactions energy: -29.235
where: short stacking energy: -28.187
Base-Backbone interact. energy: -0.211
local terms energy: -52.926491
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -16.824
flat angles C4'-P-C4' energy: -17.518
flat angles P-C4'-P energy: -8.757
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: 1, replica: 4
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -264.673221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.673221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.673221 (E_RNA)
where:
Base-Base interactions energy: -165.651
where: short stacking energy: -78.802
Base-Backbone interact. energy: -2.909
local terms energy: -96.113217
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -19.944
flat angles C4'-P-C4' energy: -17.030
flat angles P-C4'-P energy: -15.212
tors. eta vs tors. theta energy: -27.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -260.830337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.830337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.830337 (E_RNA)
where:
Base-Base interactions energy: -175.196
where: short stacking energy: -87.415
Base-Backbone interact. energy: -0.135
local terms energy: -85.499127
where:
bonds (distance) C4'-P energy: -17.729
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -25.463
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: 2
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -250.316997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.316997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.316997 (E_RNA)
where:
Base-Base interactions energy: -167.832
where: short stacking energy: -78.163
Base-Backbone interact. energy: -0.102
local terms energy: -82.382219
where:
bonds (distance) C4'-P energy: -14.130
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -26.339
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: 4, replica: 6
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -244.410627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.410627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.410627 (E_RNA)
where:
Base-Base interactions energy: -161.022
where: short stacking energy: -80.594
Base-Backbone interact. energy: -0.015
local terms energy: -83.373795
where:
bonds (distance) C4'-P energy: -15.130
bonds (distance) P-C4' energy: -16.039
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -12.187
tors. eta vs tors. theta energy: -24.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -231.663277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.663277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.663277 (E_RNA)
where:
Base-Base interactions energy: -152.919
where: short stacking energy: -73.192
Base-Backbone interact. energy: -0.466
local terms energy: -78.278430
where:
bonds (distance) C4'-P energy: -11.763
bonds (distance) P-C4' energy: -18.234
flat angles C4'-P-C4' energy: -11.318
flat angles P-C4'-P energy: -12.083
tors. eta vs tors. theta energy: -24.880
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: 143
Temperature: 1.150000
Total energy: -233.419702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.419702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.419702 (E_RNA)
where:
Base-Base interactions energy: -151.259
where: short stacking energy: -65.390
Base-Backbone interact. energy: -0.120
local terms energy: -82.039865
where:
bonds (distance) C4'-P energy: -18.791
bonds (distance) P-C4' energy: -12.073
flat angles C4'-P-C4' energy: -19.279
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -21.953
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: 7, replica: 7
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -141.966946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.966946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.966946 (E_RNA)
where:
Base-Base interactions energy: -76.924
where: short stacking energy: -48.600
Base-Backbone interact. energy: -0.005
local terms energy: -65.037476
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -15.038
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -7.552
tors. eta vs tors. theta energy: -11.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -97.564762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.564762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.564762 (E_RNA)
where:
Base-Base interactions energy: -36.771
where: short stacking energy: -36.771
Base-Backbone interact. energy: -0.302
local terms energy: -60.491432
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -10.834
flat angles P-C4'-P energy: -14.316
tors. eta vs tors. theta energy: -8.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -84.600847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.600847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.600847 (E_RNA)
where:
Base-Base interactions energy: -24.531
where: short stacking energy: -17.458
Base-Backbone interact. energy: -0.123
local terms energy: -59.947615
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -19.911
flat angles C4'-P-C4' energy: -16.875
flat angles P-C4'-P energy: -1.900
tors. eta vs tors. theta energy: -6.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -85.983007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.983007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.983007 (E_RNA)
where:
Base-Base interactions energy: -26.993
where: short stacking energy: -23.525
Base-Backbone interact. energy: -0.297
local terms energy: -58.692998
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -12.341
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -4.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -255.579520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.579520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.579520 (E_RNA)
where:
Base-Base interactions energy: -165.888
where: short stacking energy: -74.690
Base-Backbone interact. energy: -0.159
local terms energy: -89.532525
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -17.688
flat angles P-C4'-P energy: -13.450
tors. eta vs tors. theta energy: -25.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -263.289514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.289514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.289514 (E_RNA)
where:
Base-Base interactions energy: -167.762
where: short stacking energy: -83.472
Base-Backbone interact. energy: -0.131
local terms energy: -95.396080
where:
bonds (distance) C4'-P energy: -17.899
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -19.092
flat angles P-C4'-P energy: -12.790
tors. eta vs tors. theta energy: -27.165
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: 3, replica: 6
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -250.466112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.466112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.466112 (E_RNA)
where:
Base-Base interactions energy: -165.075
where: short stacking energy: -71.978
Base-Backbone interact. energy: -0.084
local terms energy: -85.306605
where:
bonds (distance) C4'-P energy: -18.533
bonds (distance) P-C4' energy: -20.226
flat angles C4'-P-C4' energy: -15.824
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -21.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -254.516566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.516566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.516566 (E_RNA)
where:
Base-Base interactions energy: -170.241
where: short stacking energy: -84.650
Base-Backbone interact. energy: -0.166
local terms energy: -84.109404
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -18.018
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -22.665
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: 10
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -221.607563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.607563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.607563 (E_RNA)
where:
Base-Base interactions energy: -142.005
where: short stacking energy: -70.022
Base-Backbone interact. energy: 0.362
local terms energy: -79.964939
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -19.552
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -12.884
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: 6, replica: 5
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -211.278463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.278463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.278463 (E_RNA)
where:
Base-Base interactions energy: -140.727
where: short stacking energy: -59.698
Base-Backbone interact. energy: -0.847
local terms energy: -69.704418
where:
bonds (distance) C4'-P energy: -14.170
bonds (distance) P-C4' energy: -11.978
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -14.528
tors. eta vs tors. theta energy: -14.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -99.332630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.332630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.332630 (E_RNA)
where:
Base-Base interactions energy: -43.071
where: short stacking energy: -40.828
Base-Backbone interact. energy: -0.163
local terms energy: -56.098619
where:
bonds (distance) C4'-P energy: -8.679
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -17.311
flat angles P-C4'-P energy: -7.487
tors. eta vs tors. theta energy: -2.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -99.996653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.996653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.996653 (E_RNA)
where:
Base-Base interactions energy: -48.097
where: short stacking energy: -36.019
Base-Backbone interact. energy: -0.543
local terms energy: -51.356126
where:
bonds (distance) C4'-P energy: -19.796
bonds (distance) P-C4' energy: -12.717
flat angles C4'-P-C4' energy: -10.293
flat angles P-C4'-P energy: -4.458
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: 9, replica: 1
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -99.907229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.907229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.907229 (E_RNA)
where:
Base-Base interactions energy: -43.732
where: short stacking energy: -33.366
Base-Backbone interact. energy: -0.099
local terms energy: -56.075772
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -13.522
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -3.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -86.137533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.137533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.137533 (E_RNA)
where:
Base-Base interactions energy: -39.858
where: short stacking energy: -28.851
Base-Backbone interact. energy: -0.494
local terms energy: -45.784865
where:
bonds (distance) C4'-P energy: -10.495
bonds (distance) P-C4' energy: -13.411
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -6.433
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: 4
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -270.961336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.961336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.961336 (E_RNA)
where:
Base-Base interactions energy: -178.187
where: short stacking energy: -83.040
Base-Backbone interact. energy: -0.005
local terms energy: -92.769162
where:
bonds (distance) C4'-P energy: -18.223
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -21.049
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -26.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -262.221400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.221400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.221400 (E_RNA)
where:
Base-Base interactions energy: -177.197
where: short stacking energy: -85.430
Base-Backbone interact. energy: -0.311
local terms energy: -84.713259
where:
bonds (distance) C4'-P energy: -16.484
bonds (distance) P-C4' energy: -16.958
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: -24.933
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: 3, replica: 9
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -257.822753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.822753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.822753 (E_RNA)
where:
Base-Base interactions energy: -166.002
where: short stacking energy: -75.427
Base-Backbone interact. energy: -0.088
local terms energy: -91.732417
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -18.966
flat angles C4'-P-C4' energy: -17.634
flat angles P-C4'-P energy: -13.018
tors. eta vs tors. theta energy: -27.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -220.882819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.882819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.882819 (E_RNA)
where:
Base-Base interactions energy: -142.102
where: short stacking energy: -64.354
Base-Backbone interact. energy: -0.145
local terms energy: -78.635770
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -18.032
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -19.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -239.949716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.949716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.949716 (E_RNA)
where:
Base-Base interactions energy: -153.456
where: short stacking energy: -67.403
Base-Backbone interact. energy: -0.176
local terms energy: -86.317855
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -15.164
tors. eta vs tors. theta energy: -22.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -213.017162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.017162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.017162 (E_RNA)
where:
Base-Base interactions energy: -136.818
where: short stacking energy: -52.055
Base-Backbone interact. energy: -0.138
local terms energy: -76.060973
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -17.518
flat angles C4'-P-C4' energy: -16.611
flat angles P-C4'-P energy: -12.535
tors. eta vs tors. theta energy: -14.619
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: 8
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -93.202612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.202612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.202612 (E_RNA)
where:
Base-Base interactions energy: -29.137
where: short stacking energy: -29.094
Base-Backbone interact. energy: -0.189
local terms energy: -63.876995
where:
bonds (distance) C4'-P energy: -20.416
bonds (distance) P-C4' energy: -15.066
flat angles C4'-P-C4' energy: -11.922
flat angles P-C4'-P energy: -7.832
tors. eta vs tors. theta energy: -8.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -94.663108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.663108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.663108 (E_RNA)
where:
Base-Base interactions energy: -35.709
where: short stacking energy: -35.647
Base-Backbone interact. energy: -0.083
local terms energy: -58.871833
where:
bonds (distance) C4'-P energy: -19.948
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -9.446
flat angles P-C4'-P energy: -9.875
tors. eta vs tors. theta energy: -5.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -112.583796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.583796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.583796 (E_RNA)
where:
Base-Base interactions energy: -56.269
where: short stacking energy: -31.140
Base-Backbone interact. energy: -0.211
local terms energy: -56.104645
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -19.265
flat angles C4'-P-C4' energy: -8.334
flat angles P-C4'-P energy: -9.961
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: 3
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -83.459895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.459895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.459895 (E_RNA)
where:
Base-Base interactions energy: -27.646
where: short stacking energy: -27.746
Base-Backbone interact. energy: 0.659
local terms energy: -56.473048
where:
bonds (distance) C4'-P energy: -15.742
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -11.247
flat angles P-C4'-P energy: -7.314
tors. eta vs tors. theta energy: -3.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -266.260337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.260337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.260337 (E_RNA)
where:
Base-Base interactions energy: -169.733
where: short stacking energy: -78.521
Base-Backbone interact. energy: -0.162
local terms energy: -96.365958
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -19.678
flat angles C4'-P-C4' energy: -20.942
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -27.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -265.411817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.411817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.411817 (E_RNA)
where:
Base-Base interactions energy: -166.241
where: short stacking energy: -74.570
Base-Backbone interact. energy: 0.234
local terms energy: -99.404745
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -18.915
flat angles P-C4'-P energy: -16.188
tors. eta vs tors. theta energy: -27.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -249.600475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.600475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.600475 (E_RNA)
where:
Base-Base interactions energy: -165.970
where: short stacking energy: -76.741
Base-Backbone interact. energy: -0.030
local terms energy: -83.600658
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -19.602
flat angles P-C4'-P energy: -9.321
tors. eta vs tors. theta energy: -22.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -240.036768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.036768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.036768 (E_RNA)
where:
Base-Base interactions energy: -156.824
where: short stacking energy: -76.945
Base-Backbone interact. energy: -0.010
local terms energy: -83.202751
where:
bonds (distance) C4'-P energy: -16.366
bonds (distance) P-C4' energy: -15.175
flat angles C4'-P-C4' energy: -17.188
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -23.582
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: 2
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -249.745057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.745057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.745057 (E_RNA)
where:
Base-Base interactions energy: -158.493
where: short stacking energy: -84.388
Base-Backbone interact. energy: -0.134
local terms energy: -91.118575
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -19.160
flat angles C4'-P-C4' energy: -16.933
flat angles P-C4'-P energy: -13.766
tors. eta vs tors. theta energy: -25.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -223.449185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.449185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.449185 (E_RNA)
where:
Base-Base interactions energy: -139.490
where: short stacking energy: -69.710
Base-Backbone interact. energy: -0.134
local terms energy: -83.824952
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -19.293
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -20.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -94.419500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.419500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.419500 (E_RNA)
where:
Base-Base interactions energy: -31.469
where: short stacking energy: -33.201
Base-Backbone interact. energy: -0.421
local terms energy: -62.529491
where:
bonds (distance) C4'-P energy: -10.439
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -11.825
flat angles P-C4'-P energy: -13.878
tors. eta vs tors. theta energy: -9.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -100.667480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.667480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.667480 (E_RNA)
where:
Base-Base interactions energy: -43.473
where: short stacking energy: -19.892
Base-Backbone interact. energy: -0.625
local terms energy: -56.569493
where:
bonds (distance) C4'-P energy: -18.488
bonds (distance) P-C4' energy: -19.426
flat angles C4'-P-C4' energy: -7.586
flat angles P-C4'-P energy: -12.292
tors. eta vs tors. theta energy: 1.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -81.546124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.546124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.546124 (E_RNA)
where:
Base-Base interactions energy: -29.886
where: short stacking energy: -28.021
Base-Backbone interact. energy: -0.370
local terms energy: -51.290061
where:
bonds (distance) C4'-P energy: -17.282
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -8.446
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: 10, replica: 7
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -87.873377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.873377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.873377 (E_RNA)
where:
Base-Base interactions energy: -31.056
where: short stacking energy: -30.603
Base-Backbone interact. energy: -0.177
local terms energy: -56.639834
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -12.312
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -6.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -267.385631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.385631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.385631 (E_RNA)
where:
Base-Base interactions energy: -174.099
where: short stacking energy: -80.679
Base-Backbone interact. energy: -0.066
local terms energy: -93.220398
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -20.619
flat angles C4'-P-C4' energy: -17.793
flat angles P-C4'-P energy: -14.221
tors. eta vs tors. theta energy: -25.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -256.080954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.080954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.080954 (E_RNA)
where:
Base-Base interactions energy: -166.788
where: short stacking energy: -79.499
Base-Backbone interact. energy: 0.294
local terms energy: -89.586773
where:
bonds (distance) C4'-P energy: -13.649
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -19.899
flat angles P-C4'-P energy: -14.630
tors. eta vs tors. theta energy: -23.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -258.201867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.201867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.201867 (E_RNA)
where:
Base-Base interactions energy: -170.713
where: short stacking energy: -77.205
Base-Backbone interact. energy: -0.022
local terms energy: -87.466657
where:
bonds (distance) C4'-P energy: -16.525
bonds (distance) P-C4' energy: -14.158
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -16.162
tors. eta vs tors. theta energy: -24.356
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: 2
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -249.005234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.005234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.005234 (E_RNA)
where:
Base-Base interactions energy: -163.806
where: short stacking energy: -78.688
Base-Backbone interact. energy: -0.015
local terms energy: -85.184477
where:
bonds (distance) C4'-P energy: -18.673
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: -25.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -235.740829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.740829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.740829 (E_RNA)
where:
Base-Base interactions energy: -159.633
where: short stacking energy: -73.148
Base-Backbone interact. energy: -0.050
local terms energy: -76.058431
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -13.130
flat angles C4'-P-C4' energy: -14.951
flat angles P-C4'-P energy: -14.568
tors. eta vs tors. theta energy: -21.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -215.860216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.860216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.860216 (E_RNA)
where:
Base-Base interactions energy: -143.911
where: short stacking energy: -64.206
Base-Backbone interact. energy: -0.234
local terms energy: -71.715157
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -10.869
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -18.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -112.312983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.312983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.312983 (E_RNA)
where:
Base-Base interactions energy: -52.475
where: short stacking energy: -32.757
Base-Backbone interact. energy: -0.434
local terms energy: -59.403770
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -16.152
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -0.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -94.191430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.191430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.191430 (E_RNA)
where:
Base-Base interactions energy: -35.033
where: short stacking energy: -24.663
Base-Backbone interact. energy: -0.055
local terms energy: -59.103460
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -17.138
flat angles C4'-P-C4' energy: -12.471
flat angles P-C4'-P energy: -6.783
tors. eta vs tors. theta energy: -7.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -99.217689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.217689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.217689 (E_RNA)
where:
Base-Base interactions energy: -40.703
where: short stacking energy: -24.458
Base-Backbone interact. energy: 0.997
local terms energy: -59.511521
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -19.495
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -2.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -90.960759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.960759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.960759 (E_RNA)
where:
Base-Base interactions energy: -35.702
where: short stacking energy: -23.886
Base-Backbone interact. energy: -0.433
local terms energy: -54.825867
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -18.876
flat angles C4'-P-C4' energy: -12.797
flat angles P-C4'-P energy: -8.070
tors. eta vs tors. theta energy: 0.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -259.705334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.705334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.705334 (E_RNA)
where:
Base-Base interactions energy: -171.081
where: short stacking energy: -87.879
Base-Backbone interact. energy: -0.025
local terms energy: -88.598793
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -21.203
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -25.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -264.045644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.045644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.045644 (E_RNA)
where:
Base-Base interactions energy: -169.475
where: short stacking energy: -77.923
Base-Backbone interact. energy: -0.016
local terms energy: -94.555165
where:
bonds (distance) C4'-P energy: -16.474
bonds (distance) P-C4' energy: -19.638
flat angles C4'-P-C4' energy: -17.850
flat angles P-C4'-P energy: -12.945
tors. eta vs tors. theta energy: -27.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -236.745111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.745111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.745111 (E_RNA)
where:
Base-Base interactions energy: -152.242
where: short stacking energy: -72.944
Base-Backbone interact. energy: -0.018
local terms energy: -84.485819
where:
bonds (distance) C4'-P energy: -18.495
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -17.418
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -23.612
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: 4
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -253.857500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.857500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.857500 (E_RNA)
where:
Base-Base interactions energy: -165.261
where: short stacking energy: -83.035
Base-Backbone interact. energy: -0.049
local terms energy: -88.548070
where:
bonds (distance) C4'-P energy: -18.089
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -18.422
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -23.699
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: 5, replica: 10
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -224.192646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.192646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.192646 (E_RNA)
where:
Base-Base interactions energy: -142.366
where: short stacking energy: -68.828
Base-Backbone interact. energy: -0.007
local terms energy: -81.819559
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -18.239
flat angles P-C4'-P energy: -13.350
tors. eta vs tors. theta energy: -18.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -211.115994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.115994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.115994 (E_RNA)
where:
Base-Base interactions energy: -132.088
where: short stacking energy: -70.840
Base-Backbone interact. energy: -0.215
local terms energy: -78.813334
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -13.940
tors. eta vs tors. theta energy: -21.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -108.802398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.802398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.802398 (E_RNA)
where:
Base-Base interactions energy: -45.793
where: short stacking energy: -45.793
Base-Backbone interact. energy: -0.154
local terms energy: -62.855952
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -14.926
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: -10.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -95.880711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.880711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.880711 (E_RNA)
where:
Base-Base interactions energy: -37.687
where: short stacking energy: -37.687
Base-Backbone interact. energy: -0.122
local terms energy: -58.071876
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -4.432
tors. eta vs tors. theta energy: -11.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -91.278478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.278478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.278478 (E_RNA)
where:
Base-Base interactions energy: -40.637
where: short stacking energy: -30.765
Base-Backbone interact. energy: 1.757
local terms energy: -52.398419
where:
bonds (distance) C4'-P energy: -14.842
bonds (distance) P-C4' energy: -11.713
flat angles C4'-P-C4' energy: -17.884
flat angles P-C4'-P energy: -6.724
tors. eta vs tors. theta energy: -1.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -98.554603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.554603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.554603 (E_RNA)
where:
Base-Base interactions energy: -37.179
where: short stacking energy: -34.023
Base-Backbone interact. energy: -0.267
local terms energy: -61.108373
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -18.212
flat angles P-C4'-P energy: -7.488
tors. eta vs tors. theta energy: -5.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -263.795191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.795191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.795191 (E_RNA)
where:
Base-Base interactions energy: -176.063
where: short stacking energy: -77.208
Base-Backbone interact. energy: -0.037
local terms energy: -87.695274
where:
bonds (distance) C4'-P energy: -16.670
bonds (distance) P-C4' energy: -17.592
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -13.200
tors. eta vs tors. theta energy: -23.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -254.489485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.489485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.489485 (E_RNA)
where:
Base-Base interactions energy: -170.833
where: short stacking energy: -71.174
Base-Backbone interact. energy: -0.660
local terms energy: -82.996778
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -18.415
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -22.449
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: 6
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -253.957082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.957082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.957082 (E_RNA)
where:
Base-Base interactions energy: -172.294
where: short stacking energy: -73.927
Base-Backbone interact. energy: 0.629
local terms energy: -82.292189
where:
bonds (distance) C4'-P energy: -13.571
bonds (distance) P-C4' energy: -11.845
flat angles C4'-P-C4' energy: -18.532
flat angles P-C4'-P energy: -15.943
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: 10
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -257.182416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.182416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.182416 (E_RNA)
where:
Base-Base interactions energy: -167.684
where: short stacking energy: -81.134
Base-Backbone interact. energy: -0.099
local terms energy: -89.400064
where:
bonds (distance) C4'-P energy: -18.540
bonds (distance) P-C4' energy: -15.372
flat angles C4'-P-C4' energy: -17.787
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -26.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -243.031214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.031214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.031214 (E_RNA)
where:
Base-Base interactions energy: -153.632
where: short stacking energy: -69.871
Base-Backbone interact. energy: -0.022
local terms energy: -89.377067
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -20.552
flat angles P-C4'-P energy: -11.915
tors. eta vs tors. theta energy: -24.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -194.123883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.123883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.123883 (E_RNA)
where:
Base-Base interactions energy: -128.778
where: short stacking energy: -51.844
Base-Backbone interact. energy: -0.307
local terms energy: -65.039128
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -6.043
tors. eta vs tors. theta energy: -16.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -101.494054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.494054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.494054 (E_RNA)
where:
Base-Base interactions energy: -50.383
where: short stacking energy: -39.328
Base-Backbone interact. energy: -0.083
local terms energy: -51.027384
where:
bonds (distance) C4'-P energy: -9.165
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -15.780
flat angles P-C4'-P energy: -5.746
tors. eta vs tors. theta energy: -5.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -93.012061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.012061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.012061 (E_RNA)
where:
Base-Base interactions energy: -38.069
where: short stacking energy: -37.428
Base-Backbone interact. energy: -0.039
local terms energy: -54.904488
where:
bonds (distance) C4'-P energy: -17.887
bonds (distance) P-C4' energy: -12.263
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -3.996
tors. eta vs tors. theta energy: -6.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -93.674045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.674045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.674045 (E_RNA)
where:
Base-Base interactions energy: -34.614
where: short stacking energy: -34.614
Base-Backbone interact. energy: -0.531
local terms energy: -58.528611
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -9.674
tors. eta vs tors. theta energy: -1.504
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: 10, replica: 8
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -93.874370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.874370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.874370 (E_RNA)
where:
Base-Base interactions energy: -41.435
where: short stacking energy: -32.921
Base-Backbone interact. energy: -0.193
local terms energy: -52.246195
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -20.644
flat angles C4'-P-C4' energy: -11.507
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: 5.536
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: 9
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -257.064248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.064248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.064248 (E_RNA)
where:
Base-Base interactions energy: -172.170
where: short stacking energy: -76.421
Base-Backbone interact. energy: -0.002
local terms energy: -84.892247
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -14.602
flat angles C4'-P-C4' energy: -17.662
flat angles P-C4'-P energy: -12.346
tors. eta vs tors. theta energy: -24.545
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: 2
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -248.416987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.416987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.416987 (E_RNA)
where:
Base-Base interactions energy: -159.575
where: short stacking energy: -73.876
Base-Backbone interact. energy: -0.049
local terms energy: -88.792963
where:
bonds (distance) C4'-P energy: -15.702
bonds (distance) P-C4' energy: -17.786
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -13.295
tors. eta vs tors. theta energy: -25.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -244.868070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.868070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.868070 (E_RNA)
where:
Base-Base interactions energy: -154.566
where: short stacking energy: -72.016
Base-Backbone interact. energy: -0.032
local terms energy: -90.269438
where:
bonds (distance) C4'-P energy: -18.231
bonds (distance) P-C4' energy: -19.181
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -25.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -248.130406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.130406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.130406 (E_RNA)
where:
Base-Base interactions energy: -156.141
where: short stacking energy: -64.204
Base-Backbone interact. energy: -0.004
local terms energy: -91.985305
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -18.029
flat angles P-C4'-P energy: -13.891
tors. eta vs tors. theta energy: -27.276
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: 4
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -235.785281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.785281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.785281 (E_RNA)
where:
Base-Base interactions energy: -150.726
where: short stacking energy: -74.227
Base-Backbone interact. energy: 0.013
local terms energy: -85.072166
where:
bonds (distance) C4'-P energy: -17.594
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -15.069
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -25.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -184.019489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.019489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.019489 (E_RNA)
where:
Base-Base interactions energy: -116.990
where: short stacking energy: -59.337
Base-Backbone interact. energy: 0.637
local terms energy: -67.665723
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -11.751
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -7.786
tors. eta vs tors. theta energy: -16.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -104.178894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.178894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.178894 (E_RNA)
where:
Base-Base interactions energy: -39.807
where: short stacking energy: -39.807
Base-Backbone interact. energy: -0.010
local terms energy: -64.361807
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: -8.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -104.607242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.607242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.607242 (E_RNA)
where:
Base-Base interactions energy: -42.887
where: short stacking energy: -32.365
Base-Backbone interact. energy: -0.237
local terms energy: -61.483052
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -15.428
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -9.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -100.238378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.238378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.238378 (E_RNA)
where:
Base-Base interactions energy: -48.619
where: short stacking energy: -27.342
Base-Backbone interact. energy: -0.401
local terms energy: -51.218092
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -10.434
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: 1.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -91.939688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.939688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.939688 (E_RNA)
where:
Base-Base interactions energy: -29.693
where: short stacking energy: -29.693
Base-Backbone interact. energy: -0.263
local terms energy: -61.983844
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -13.632
flat angles C4'-P-C4' energy: -18.008
flat angles P-C4'-P energy: -8.641
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: 1, replica: 9
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -264.434653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.434653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.434653 (E_RNA)
where:
Base-Base interactions energy: -170.542
where: short stacking energy: -87.683
Base-Backbone interact. energy: -0.031
local terms energy: -93.862038
where:
bonds (distance) C4'-P energy: -18.694
bonds (distance) P-C4' energy: -17.540
flat angles C4'-P-C4' energy: -19.116
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -27.179
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: 6
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -258.773032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.773032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.773032 (E_RNA)
where:
Base-Base interactions energy: -169.453
where: short stacking energy: -79.903
Base-Backbone interact. energy: -0.054
local terms energy: -89.266151
where:
bonds (distance) C4'-P energy: -11.834
bonds (distance) P-C4' energy: -19.030
flat angles C4'-P-C4' energy: -18.677
flat angles P-C4'-P energy: -13.236
tors. eta vs tors. theta energy: -26.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -257.669960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.669960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.669960 (E_RNA)
where:
Base-Base interactions energy: -172.751
where: short stacking energy: -77.969
Base-Backbone interact. energy: -0.005
local terms energy: -84.913822
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -17.471
flat angles C4'-P-C4' energy: -16.273
flat angles P-C4'-P energy: -9.975
tors. eta vs tors. theta energy: -24.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -236.670473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.670473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.670473 (E_RNA)
where:
Base-Base interactions energy: -157.338
where: short stacking energy: -71.463
Base-Backbone interact. energy: -0.561
local terms energy: -78.770651
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -14.739
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -23.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -242.775858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.775858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.775858 (E_RNA)
where:
Base-Base interactions energy: -158.005
where: short stacking energy: -76.275
Base-Backbone interact. energy: -0.052
local terms energy: -84.718448
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -19.697
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -24.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -200.927687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.927687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.927687 (E_RNA)
where:
Base-Base interactions energy: -124.698
where: short stacking energy: -54.095
Base-Backbone interact. energy: -0.278
local terms energy: -75.952406
where:
bonds (distance) C4'-P energy: -17.618
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -17.920
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -17.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -93.118021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.118021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.118021 (E_RNA)
where:
Base-Base interactions energy: -44.533
where: short stacking energy: -26.557
Base-Backbone interact. energy: 0.755
local terms energy: -49.340878
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -11.988
flat angles P-C4'-P energy: -5.561
tors. eta vs tors. theta energy: 0.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -88.360874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.360874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.360874 (E_RNA)
where:
Base-Base interactions energy: -30.109
where: short stacking energy: -26.519
Base-Backbone interact. energy: -0.511
local terms energy: -57.740614
where:
bonds (distance) C4'-P energy: -17.772
bonds (distance) P-C4' energy: -19.500
flat angles C4'-P-C4' energy: -17.351
flat angles P-C4'-P energy: -7.226
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: 9, replica: 3
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -82.818550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.818550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.818550 (E_RNA)
where:
Base-Base interactions energy: -38.789
where: short stacking energy: -35.591
Base-Backbone interact. energy: -0.501
local terms energy: -43.528397
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -2.327
flat angles P-C4'-P energy: -6.051
tors. eta vs tors. theta energy: -5.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -91.207049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.207049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.207049 (E_RNA)
where:
Base-Base interactions energy: -45.489
where: short stacking energy: -39.555
Base-Backbone interact. energy: 2.990
local terms energy: -48.708455
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -9.273
flat angles P-C4'-P energy: -5.758
tors. eta vs tors. theta energy: -4.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -266.447422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.447422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.447422 (E_RNA)
where:
Base-Base interactions energy: -174.641
where: short stacking energy: -77.724
Base-Backbone interact. energy: -0.043
local terms energy: -91.763520
where:
bonds (distance) C4'-P energy: -19.501
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -18.725
flat angles P-C4'-P energy: -14.234
tors. eta vs tors. theta energy: -23.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -254.167660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.167660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.167660 (E_RNA)
where:
Base-Base interactions energy: -164.273
where: short stacking energy: -78.024
Base-Backbone interact. energy: -0.002
local terms energy: -89.892490
where:
bonds (distance) C4'-P energy: -17.391
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -17.446
flat angles P-C4'-P energy: -13.002
tors. eta vs tors. theta energy: -25.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -247.136202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.136202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.136202 (E_RNA)
where:
Base-Base interactions energy: -165.006
where: short stacking energy: -78.978
Base-Backbone interact. energy: 0.837
local terms energy: -82.966687
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -15.460
tors. eta vs tors. theta energy: -26.079
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: 2
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -228.737104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.737104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.737104 (E_RNA)
where:
Base-Base interactions energy: -146.463
where: short stacking energy: -63.859
Base-Backbone interact. energy: -1.324
local terms energy: -80.950139
where:
bonds (distance) C4'-P energy: -18.636
bonds (distance) P-C4' energy: -17.217
flat angles C4'-P-C4' energy: -18.750
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -17.169
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: 4
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -237.015742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.015742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.015742 (E_RNA)
where:
Base-Base interactions energy: -164.564
where: short stacking energy: -73.085
Base-Backbone interact. energy: 2.858
local terms energy: -75.309841
where:
bonds (distance) C4'-P energy: -17.550
bonds (distance) P-C4' energy: -11.046
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -21.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -233.931442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.931442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.931442 (E_RNA)
where:
Base-Base interactions energy: -157.342
where: short stacking energy: -57.998
Base-Backbone interact. energy: -0.561
local terms energy: -76.028218
where:
bonds (distance) C4'-P energy: -16.908
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -17.572
flat angles P-C4'-P energy: -9.586
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: 7, replica: 8
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -88.879423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.879423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.879423 (E_RNA)
where:
Base-Base interactions energy: -37.114
where: short stacking energy: -37.114
Base-Backbone interact. energy: -0.026
local terms energy: -51.738904
where:
bonds (distance) C4'-P energy: -18.674
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -9.114
flat angles P-C4'-P energy: -3.172
tors. eta vs tors. theta energy: -4.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -96.904819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.904819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.904819 (E_RNA)
where:
Base-Base interactions energy: -40.555
where: short stacking energy: -40.555
Base-Backbone interact. energy: -0.163
local terms energy: -56.186863
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -11.747
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -3.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -83.136139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.136139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.136139 (E_RNA)
where:
Base-Base interactions energy: -24.819
where: short stacking energy: -19.808
Base-Backbone interact. energy: -0.223
local terms energy: -58.094463
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: 0.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -82.054399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.054399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.054399 (E_RNA)
where:
Base-Base interactions energy: -27.470
where: short stacking energy: -26.735
Base-Backbone interact. energy: -0.304
local terms energy: -54.279917
where:
bonds (distance) C4'-P energy: -15.502
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -11.120
flat angles P-C4'-P energy: -4.835
tors. eta vs tors. theta energy: -6.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -265.804571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.804571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.804571 (E_RNA)
where:
Base-Base interactions energy: -174.410
where: short stacking energy: -87.798
Base-Backbone interact. energy: -0.002
local terms energy: -91.392238
where:
bonds (distance) C4'-P energy: -18.447
bonds (distance) P-C4' energy: -17.258
flat angles C4'-P-C4' energy: -16.997
flat angles P-C4'-P energy: -12.017
tors. eta vs tors. theta energy: -26.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -260.403820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.403820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.403820 (E_RNA)
where:
Base-Base interactions energy: -167.042
where: short stacking energy: -82.615
Base-Backbone interact. energy: -0.023
local terms energy: -93.338268
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -19.685
flat angles P-C4'-P energy: -16.123
tors. eta vs tors. theta energy: -24.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -251.919217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.919217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.919217 (E_RNA)
where:
Base-Base interactions energy: -165.962
where: short stacking energy: -81.532
Base-Backbone interact. energy: 0.266
local terms energy: -86.223394
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -13.312
tors. eta vs tors. theta energy: -24.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -239.555991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.555991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.555991 (E_RNA)
where:
Base-Base interactions energy: -159.428
where: short stacking energy: -76.483
Base-Backbone interact. energy: -0.006
local terms energy: -80.122632
where:
bonds (distance) C4'-P energy: -14.742
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -14.310
tors. eta vs tors. theta energy: -23.650
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: 2
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -232.684332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.684332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.684332 (E_RNA)
where:
Base-Base interactions energy: -149.547
where: short stacking energy: -72.011
Base-Backbone interact. energy: -0.087
local terms energy: -83.050776
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -13.830
flat angles C4'-P-C4' energy: -21.031
flat angles P-C4'-P energy: -12.194
tors. eta vs tors. theta energy: -21.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -227.151456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.151456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.151456 (E_RNA)
where:
Base-Base interactions energy: -156.924
where: short stacking energy: -61.494
Base-Backbone interact. energy: -0.347
local terms energy: -69.881271
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -16.902
flat angles C4'-P-C4' energy: -11.598
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: -17.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -98.873705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.873705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.873705 (E_RNA)
where:
Base-Base interactions energy: -40.572
where: short stacking energy: -36.249
Base-Backbone interact. energy: -0.135
local terms energy: -58.166990
where:
bonds (distance) C4'-P energy: -14.580
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -4.441
tors. eta vs tors. theta energy: -4.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -89.778808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.778808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.778808 (E_RNA)
where:
Base-Base interactions energy: -35.979
where: short stacking energy: -35.979
Base-Backbone interact. energy: 0.433
local terms energy: -54.232596
where:
bonds (distance) C4'-P energy: -6.456
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -16.899
flat angles P-C4'-P energy: -12.731
tors. eta vs tors. theta energy: -1.819
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: 153
Temperature: 1.300000
Total energy: -89.837798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.837798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.837798 (E_RNA)
where:
Base-Base interactions energy: -44.386
where: short stacking energy: -27.912
Base-Backbone interact. energy: 0.546
local terms energy: -45.998017
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -18.107
flat angles C4'-P-C4' energy: -11.750
flat angles P-C4'-P energy: -7.126
tors. eta vs tors. theta energy: 0.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -100.945074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.945074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.945074 (E_RNA)
where:
Base-Base interactions energy: -44.563
where: short stacking energy: -29.717
Base-Backbone interact. energy: -0.428
local terms energy: -55.953439
where:
bonds (distance) C4'-P energy: -9.578
bonds (distance) P-C4' energy: -13.241
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -10.031
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: 1, replica: 10
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -272.367409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.367409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.367409 (E_RNA)
where:
Base-Base interactions energy: -173.649
where: short stacking energy: -89.321
Base-Backbone interact. energy: -0.001
local terms energy: -98.717519
where:
bonds (distance) C4'-P energy: -20.117
bonds (distance) P-C4' energy: -19.542
flat angles C4'-P-C4' energy: -16.671
flat angles P-C4'-P energy: -15.369
tors. eta vs tors. theta energy: -27.018
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: 6
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -256.722480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.722480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.722480 (E_RNA)
where:
Base-Base interactions energy: -168.254
where: short stacking energy: -74.758
Base-Backbone interact. energy: -0.097
local terms energy: -88.371540
where:
bonds (distance) C4'-P energy: -14.643
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -18.126
flat angles P-C4'-P energy: -14.324
tors. eta vs tors. theta energy: -24.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -250.849017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.849017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.849017 (E_RNA)
where:
Base-Base interactions energy: -163.845
where: short stacking energy: -74.322
Base-Backbone interact. energy: -0.104
local terms energy: -86.899617
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -18.618
flat angles P-C4'-P energy: -12.642
tors. eta vs tors. theta energy: -24.849
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: 9
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -247.643580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.643580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.643580 (E_RNA)
where:
Base-Base interactions energy: -160.988
where: short stacking energy: -75.518
Base-Backbone interact. energy: -0.001
local terms energy: -86.654208
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -20.109
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -24.629
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: 5, replica: 2
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -238.834406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.834406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.834406 (E_RNA)
where:
Base-Base interactions energy: -154.456
where: short stacking energy: -70.805
Base-Backbone interact. energy: -0.104
local terms energy: -84.274481
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -18.567
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -21.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -201.294082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.294082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.294082 (E_RNA)
where:
Base-Base interactions energy: -131.766
where: short stacking energy: -66.898
Base-Backbone interact. energy: -0.633
local terms energy: -68.895730
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -12.992
flat angles C4'-P-C4' energy: -17.405
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -13.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -118.816045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.816045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.816045 (E_RNA)
where:
Base-Base interactions energy: -62.620
where: short stacking energy: -43.106
Base-Backbone interact. energy: -0.201
local terms energy: -55.995523
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -14.941
flat angles C4'-P-C4' energy: -11.000
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -6.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -88.757552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.757552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.757552 (E_RNA)
where:
Base-Base interactions energy: -33.907
where: short stacking energy: -32.709
Base-Backbone interact. energy: -0.230
local terms energy: -54.621419
where:
bonds (distance) C4'-P energy: -12.775
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -1.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -89.880778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.880778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.880778 (E_RNA)
where:
Base-Base interactions energy: -27.227
where: short stacking energy: -25.609
Base-Backbone interact. energy: -1.514
local terms energy: -61.140056
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -13.360
tors. eta vs tors. theta energy: -2.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -76.503856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.503856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.503856 (E_RNA)
where:
Base-Base interactions energy: -28.087
where: short stacking energy: -19.570
Base-Backbone interact. energy: -0.163
local terms energy: -48.254382
where:
bonds (distance) C4'-P energy: -6.689
bonds (distance) P-C4' energy: -18.705
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -12.948
tors. eta vs tors. theta energy: 3.627
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: 10
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -273.016253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.016253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.016253 (E_RNA)
where:
Base-Base interactions energy: -177.506
where: short stacking energy: -84.125
Base-Backbone interact. energy: -0.642
local terms energy: -94.868018
where:
bonds (distance) C4'-P energy: -18.543
bonds (distance) P-C4' energy: -19.703
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -13.086
tors. eta vs tors. theta energy: -26.944
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: 6
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -254.114330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.114330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.114330 (E_RNA)
where:
Base-Base interactions energy: -163.968
where: short stacking energy: -83.847
Base-Backbone interact. energy: -0.001
local terms energy: -90.145185
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -15.119
flat angles C4'-P-C4' energy: -21.083
flat angles P-C4'-P energy: -14.584
tors. eta vs tors. theta energy: -23.750
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: 4
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -245.138731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.138731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.138731 (E_RNA)
where:
Base-Base interactions energy: -162.208
where: short stacking energy: -75.747
Base-Backbone interact. energy: -0.402
local terms energy: -82.528514
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -11.885
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -13.118
tors. eta vs tors. theta energy: -25.717
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: 2
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -227.242677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.242677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.242677 (E_RNA)
where:
Base-Base interactions energy: -156.557
where: short stacking energy: -72.080
Base-Backbone interact. energy: -0.121
local terms energy: -70.564456
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -11.001
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: 5, replica: 9
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -244.256135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.256135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.256135 (E_RNA)
where:
Base-Base interactions energy: -159.741
where: short stacking energy: -72.204
Base-Backbone interact. energy: -0.010
local terms energy: -84.505236
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -19.361
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -25.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -194.838359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.838359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.838359 (E_RNA)
where:
Base-Base interactions energy: -132.345
where: short stacking energy: -63.975
Base-Backbone interact. energy: 1.318
local terms energy: -63.811474
where:
bonds (distance) C4'-P energy: -10.593
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -11.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -98.794785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.794785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.794785 (E_RNA)
where:
Base-Base interactions energy: -33.576
where: short stacking energy: -33.576
Base-Backbone interact. energy: -0.057
local terms energy: -65.161538
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -16.884
flat angles P-C4'-P energy: -9.274
tors. eta vs tors. theta energy: -8.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -94.766872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.766872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.766872 (E_RNA)
where:
Base-Base interactions energy: -36.108
where: short stacking energy: -36.108
Base-Backbone interact. energy: -0.070
local terms energy: -58.588486
where:
bonds (distance) C4'-P energy: -8.999
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -18.582
flat angles P-C4'-P energy: -7.723
tors. eta vs tors. theta energy: -6.117
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: 3
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -79.931828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.931828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.931828 (E_RNA)
where:
Base-Base interactions energy: -28.298
where: short stacking energy: -28.298
Base-Backbone interact. energy: -0.318
local terms energy: -51.315382
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -10.788
flat angles P-C4'-P energy: -6.627
tors. eta vs tors. theta energy: -1.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -78.616695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.616695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.616695 (E_RNA)
where:
Base-Base interactions energy: -26.126
where: short stacking energy: -24.281
Base-Backbone interact. energy: -0.012
local terms energy: -52.479165
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -15.515
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -5.775
tors. eta vs tors. theta energy: -0.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -261.943729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.943729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.943729 (E_RNA)
where:
Base-Base interactions energy: -172.978
where: short stacking energy: -82.835
Base-Backbone interact. energy: -0.631
local terms energy: -88.334857
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -18.432
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -25.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -252.329065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.329065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.329065 (E_RNA)
where:
Base-Base interactions energy: -164.309
where: short stacking energy: -71.982
Base-Backbone interact. energy: -0.719
local terms energy: -87.301063
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -16.229
flat angles C4'-P-C4' energy: -17.632
flat angles P-C4'-P energy: -14.042
tors. eta vs tors. theta energy: -24.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -245.216632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.216632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.216632 (E_RNA)
where:
Base-Base interactions energy: -154.480
where: short stacking energy: -77.048
Base-Backbone interact. energy: -0.008
local terms energy: -90.729107
where:
bonds (distance) C4'-P energy: -17.776
bonds (distance) P-C4' energy: -19.073
flat angles C4'-P-C4' energy: -17.417
flat angles P-C4'-P energy: -13.094
tors. eta vs tors. theta energy: -23.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -225.771619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.771619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.771619 (E_RNA)
where:
Base-Base interactions energy: -143.565
where: short stacking energy: -69.842
Base-Backbone interact. energy: -0.176
local terms energy: -82.030767
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -14.338
tors. eta vs tors. theta energy: -19.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -251.671557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.671557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.671557 (E_RNA)
where:
Base-Base interactions energy: -161.513
where: short stacking energy: -77.548
Base-Backbone interact. energy: -0.023
local terms energy: -90.135561
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -19.387
flat angles C4'-P-C4' energy: -18.433
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -25.766
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: 9
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -242.852895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.852895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.852895 (E_RNA)
where:
Base-Base interactions energy: -159.181
where: short stacking energy: -76.333
Base-Backbone interact. energy: -0.578
local terms energy: -83.093618
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -17.266
flat angles P-C4'-P energy: -11.173
tors. eta vs tors. theta energy: -24.043
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: 8
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -106.278488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.278488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.278488 (E_RNA)
where:
Base-Base interactions energy: -39.457
where: short stacking energy: -39.457
Base-Backbone interact. energy: -0.090
local terms energy: -66.731474
where:
bonds (distance) C4'-P energy: -17.655
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -19.704
flat angles P-C4'-P energy: -3.719
tors. eta vs tors. theta energy: -10.370
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: 1
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -95.326172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.326172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.326172 (E_RNA)
where:
Base-Base interactions energy: -35.788
where: short stacking energy: -35.788
Base-Backbone interact. energy: -0.020
local terms energy: -59.518167
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -17.190
flat angles P-C4'-P energy: -8.047
tors. eta vs tors. theta energy: -1.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -85.710280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.710280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.710280 (E_RNA)
where:
Base-Base interactions energy: -19.204
where: short stacking energy: -19.204
Base-Backbone interact. energy: 3.444
local terms energy: -69.950657
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -20.759
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -5.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -88.127457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.127457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.127457 (E_RNA)
where:
Base-Base interactions energy: -34.397
where: short stacking energy: -34.397
Base-Backbone interact. energy: -0.079
local terms energy: -53.651299
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -9.032
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -4.075
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: 10
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -262.037126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.037126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.037126 (E_RNA)
where:
Base-Base interactions energy: -175.689
where: short stacking energy: -83.020
Base-Backbone interact. energy: 0.624
local terms energy: -86.972267
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -12.670
tors. eta vs tors. theta energy: -25.363
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: 2, replica: 6
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -246.529038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.529038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.529038 (E_RNA)
where:
Base-Base interactions energy: -163.786
where: short stacking energy: -81.783
Base-Backbone interact. energy: -0.177
local terms energy: -82.566186
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -19.656
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -23.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -231.963518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.963518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.963518 (E_RNA)
where:
Base-Base interactions energy: -150.661
where: short stacking energy: -61.506
Base-Backbone interact. energy: -0.282
local terms energy: -81.020903
where:
bonds (distance) C4'-P energy: -19.279
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -16.309
flat angles P-C4'-P energy: -8.072
tors. eta vs tors. theta energy: -20.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -249.087386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.087386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.087386 (E_RNA)
where:
Base-Base interactions energy: -166.594
where: short stacking energy: -87.860
Base-Backbone interact. energy: -0.086
local terms energy: -82.407906
where:
bonds (distance) C4'-P energy: -13.973
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -23.833
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: 5, replica: 2
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -242.198121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.198121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.198121 (E_RNA)
where:
Base-Base interactions energy: -158.639
where: short stacking energy: -73.402
Base-Backbone interact. energy: -0.003
local terms energy: -83.556229
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -19.524
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: -27.662
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: 157
Temperature: 1.150000
Total energy: -233.869881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.869881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.869881 (E_RNA)
where:
Base-Base interactions energy: -156.972
where: short stacking energy: -75.760
Base-Backbone interact. energy: -0.084
local terms energy: -76.813650
where:
bonds (distance) C4'-P energy: -11.736
bonds (distance) P-C4' energy: -12.269
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -14.360
tors. eta vs tors. theta energy: -23.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -107.589770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.589770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.589770 (E_RNA)
where:
Base-Base interactions energy: -48.928
where: short stacking energy: -48.928
Base-Backbone interact. energy: -0.021
local terms energy: -58.640694
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -11.868
flat angles C4'-P-C4' energy: -10.623
flat angles P-C4'-P energy: -6.571
tors. eta vs tors. theta energy: -14.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -88.973802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.973802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.973802 (E_RNA)
where:
Base-Base interactions energy: -31.358
where: short stacking energy: -25.710
Base-Backbone interact. energy: -0.258
local terms energy: -57.358289
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -11.306
flat angles P-C4'-P energy: -10.054
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: 9, replica: 1
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -95.665499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.665499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.665499 (E_RNA)
where:
Base-Base interactions energy: -34.248
where: short stacking energy: -30.446
Base-Backbone interact. energy: -0.175
local terms energy: -61.242604
where:
bonds (distance) C4'-P energy: -16.996
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -3.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -85.126631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.126631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.126631 (E_RNA)
where:
Base-Base interactions energy: -24.054
where: short stacking energy: -24.054
Base-Backbone interact. energy: -0.106
local terms energy: -60.966129
where:
bonds (distance) C4'-P energy: -17.961
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -2.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -259.939323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.939323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.939323 (E_RNA)
where:
Base-Base interactions energy: -172.890
where: short stacking energy: -83.744
Base-Backbone interact. energy: -1.417
local terms energy: -85.631827
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -17.505
flat angles P-C4'-P energy: -12.417
tors. eta vs tors. theta energy: -24.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -248.030012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.030012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.030012 (E_RNA)
where:
Base-Base interactions energy: -163.575
where: short stacking energy: -76.457
Base-Backbone interact. energy: 0.877
local terms energy: -85.332345
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -17.875
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: -20.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -255.057438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.057438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.057438 (E_RNA)
where:
Base-Base interactions energy: -167.270
where: short stacking energy: -73.345
Base-Backbone interact. energy: -0.075
local terms energy: -87.712168
where:
bonds (distance) C4'-P energy: -18.876
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -13.971
tors. eta vs tors. theta energy: -22.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -231.693997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.693997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.693997 (E_RNA)
where:
Base-Base interactions energy: -156.053
where: short stacking energy: -65.526
Base-Backbone interact. energy: -0.140
local terms energy: -75.501103
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -17.976
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -18.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -244.333259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.333259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.333259 (E_RNA)
where:
Base-Base interactions energy: -168.901
where: short stacking energy: -84.719
Base-Backbone interact. energy: -0.298
local terms energy: -75.134398
where:
bonds (distance) C4'-P energy: -9.499
bonds (distance) P-C4' energy: -13.357
flat angles C4'-P-C4' energy: -16.069
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -25.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -216.743230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.743230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.743230 (E_RNA)
where:
Base-Base interactions energy: -136.985
where: short stacking energy: -68.436
Base-Backbone interact. energy: -0.679
local terms energy: -79.079553
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -18.720
flat angles C4'-P-C4' energy: -12.863
flat angles P-C4'-P energy: -11.280
tors. eta vs tors. theta energy: -21.207
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: 3
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -102.222789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.222789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.222789 (E_RNA)
where:
Base-Base interactions energy: -45.325
where: short stacking energy: -35.027
Base-Backbone interact. energy: -0.121
local terms energy: -56.776485
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -6.780
tors. eta vs tors. theta energy: -5.162
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: 8
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -94.371642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.371642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.371642 (E_RNA)
where:
Base-Base interactions energy: -30.410
where: short stacking energy: -30.410
Base-Backbone interact. energy: -0.023
local terms energy: -63.939281
where:
bonds (distance) C4'-P energy: -17.023
bonds (distance) P-C4' energy: -16.809
flat angles C4'-P-C4' energy: -17.702
flat angles P-C4'-P energy: -7.441
tors. eta vs tors. theta energy: -4.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -88.855724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.855724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.855724 (E_RNA)
where:
Base-Base interactions energy: -32.823
where: short stacking energy: -29.420
Base-Backbone interact. energy: 1.994
local terms energy: -58.026789
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -13.543
flat angles C4'-P-C4' energy: -17.729
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: 0.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -82.665718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.665718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.665718 (E_RNA)
where:
Base-Base interactions energy: -26.770
where: short stacking energy: -22.161
Base-Backbone interact. energy: -0.210
local terms energy: -55.685668
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -17.547
flat angles C4'-P-C4' energy: -12.275
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -2.050
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: 10
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -264.282843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.282843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.282843 (E_RNA)
where:
Base-Base interactions energy: -173.652
where: short stacking energy: -82.635
Base-Backbone interact. energy: -0.488
local terms energy: -90.142824
where:
bonds (distance) C4'-P energy: -17.317
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -18.304
flat angles P-C4'-P energy: -12.287
tors. eta vs tors. theta energy: -24.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -258.241673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.241673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.241673 (E_RNA)
where:
Base-Base interactions energy: -166.163
where: short stacking energy: -80.263
Base-Backbone interact. energy: -0.625
local terms energy: -91.453893
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -20.498
flat angles P-C4'-P energy: -11.717
tors. eta vs tors. theta energy: -26.324
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: 3, replica: 6
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -252.856308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.856308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.856308 (E_RNA)
where:
Base-Base interactions energy: -166.124
where: short stacking energy: -76.154
Base-Backbone interact. energy: -0.235
local terms energy: -86.497383
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -18.632
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -15.548
tors. eta vs tors. theta energy: -22.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -233.499572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.499572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.499572 (E_RNA)
where:
Base-Base interactions energy: -164.098
where: short stacking energy: -68.666
Base-Backbone interact. energy: 6.205
local terms energy: -75.606046
where:
bonds (distance) C4'-P energy: -10.050
bonds (distance) P-C4' energy: -17.532
flat angles C4'-P-C4' energy: -19.570
flat angles P-C4'-P energy: -7.964
tors. eta vs tors. theta energy: -20.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -236.536152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.536152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.536152 (E_RNA)
where:
Base-Base interactions energy: -159.625
where: short stacking energy: -61.707
Base-Backbone interact. energy: -0.092
local terms energy: -76.819813
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -12.861
flat angles C4'-P-C4' energy: -19.249
flat angles P-C4'-P energy: -9.733
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: 6, replica: 2
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -229.862192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.862192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.862192 (E_RNA)
where:
Base-Base interactions energy: -149.225
where: short stacking energy: -80.352
Base-Backbone interact. energy: -0.141
local terms energy: -80.495903
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -17.350
flat angles P-C4'-P energy: -8.617
tors. eta vs tors. theta energy: -23.566
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: 3
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -95.074705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.074705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.074705 (E_RNA)
where:
Base-Base interactions energy: -42.047
where: short stacking energy: -29.999
Base-Backbone interact. energy: -0.084
local terms energy: -52.943680
where:
bonds (distance) C4'-P energy: -11.105
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -7.156
tors. eta vs tors. theta energy: -5.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -90.245415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.245415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.245415 (E_RNA)
where:
Base-Base interactions energy: -42.533
where: short stacking energy: -27.496
Base-Backbone interact. energy: -0.325
local terms energy: -47.386632
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -12.545
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -4.627
tors. eta vs tors. theta energy: -0.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -89.186139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.186139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.186139 (E_RNA)
where:
Base-Base interactions energy: -32.007
where: short stacking energy: -32.007
Base-Backbone interact. energy: -0.252
local terms energy: -56.927090
where:
bonds (distance) C4'-P energy: -18.314
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -11.400
flat angles P-C4'-P energy: -9.151
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: 1
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -91.635437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.635437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.635437 (E_RNA)
where:
Base-Base interactions energy: -28.963
where: short stacking energy: -28.963
Base-Backbone interact. energy: -0.094
local terms energy: -62.578875
where:
bonds (distance) C4'-P energy: -16.939
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -9.637
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -8.324
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: 1, replica: 5
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -267.865853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.865853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.865853 (E_RNA)
where:
Base-Base interactions energy: -180.840
where: short stacking energy: -82.297
Base-Backbone interact. energy: -0.001
local terms energy: -87.024995
where:
bonds (distance) C4'-P energy: -16.488
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -12.631
tors. eta vs tors. theta energy: -22.219
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: 2, replica: 10
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -256.660828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.660828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.660828 (E_RNA)
where:
Base-Base interactions energy: -167.816
where: short stacking energy: -73.574
Base-Backbone interact. energy: 0.460
local terms energy: -89.304027
where:
bonds (distance) C4'-P energy: -19.262
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -18.497
flat angles P-C4'-P energy: -14.794
tors. eta vs tors. theta energy: -22.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -254.398158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.398158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.398158 (E_RNA)
where:
Base-Base interactions energy: -168.327
where: short stacking energy: -82.409
Base-Backbone interact. energy: -0.342
local terms energy: -85.729208
where:
bonds (distance) C4'-P energy: -20.292
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -18.367
flat angles P-C4'-P energy: -8.904
tors. eta vs tors. theta energy: -24.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -240.341120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.341120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.341120 (E_RNA)
where:
Base-Base interactions energy: -160.353
where: short stacking energy: -64.031
Base-Backbone interact. energy: -0.300
local terms energy: -79.688200
where:
bonds (distance) C4'-P energy: -16.639
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -21.113
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: 5, replica: 4
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -227.694647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.694647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.694647 (E_RNA)
where:
Base-Base interactions energy: -148.136
where: short stacking energy: -58.824
Base-Backbone interact. energy: -0.338
local terms energy: -79.221485
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -18.098
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -13.451
tors. eta vs tors. theta energy: -18.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -217.052618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.052618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.052618 (E_RNA)
where:
Base-Base interactions energy: -133.269
where: short stacking energy: -68.773
Base-Backbone interact. energy: -0.001
local terms energy: -83.782515
where:
bonds (distance) C4'-P energy: -18.616
bonds (distance) P-C4' energy: -13.897
flat angles C4'-P-C4' energy: -19.781
flat angles P-C4'-P energy: -12.022
tors. eta vs tors. theta energy: -19.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -113.698761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.698761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.698761 (E_RNA)
where:
Base-Base interactions energy: -47.377
where: short stacking energy: -41.523
Base-Backbone interact. energy: -0.146
local terms energy: -66.175492
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -7.069
tors. eta vs tors. theta energy: -12.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -111.027310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.027310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.027310 (E_RNA)
where:
Base-Base interactions energy: -55.225
where: short stacking energy: -21.594
Base-Backbone interact. energy: -0.372
local terms energy: -55.430005
where:
bonds (distance) C4'-P energy: -14.862
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -9.862
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: 1
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -91.736574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.736574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.736574 (E_RNA)
where:
Base-Base interactions energy: -32.060
where: short stacking energy: -29.375
Base-Backbone interact. energy: 0.130
local terms energy: -59.806147
where:
bonds (distance) C4'-P energy: -15.065
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -17.577
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -2.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -84.198524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.198524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.198524 (E_RNA)
where:
Base-Base interactions energy: -35.420
where: short stacking energy: -28.904
Base-Backbone interact. energy: -0.135
local terms energy: -48.643564
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -7.192
flat angles C4'-P-C4' energy: -9.781
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -8.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -266.391184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.391184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.391184 (E_RNA)
where:
Base-Base interactions energy: -175.558
where: short stacking energy: -82.414
Base-Backbone interact. energy: -0.209
local terms energy: -90.624160
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -20.459
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -27.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -260.467073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.467073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.467073 (E_RNA)
where:
Base-Base interactions energy: -168.359
where: short stacking energy: -79.569
Base-Backbone interact. energy: -0.065
local terms energy: -92.042850
where:
bonds (distance) C4'-P energy: -18.280
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -17.428
flat angles P-C4'-P energy: -13.995
tors. eta vs tors. theta energy: -25.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -244.435701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.435701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.435701 (E_RNA)
where:
Base-Base interactions energy: -156.240
where: short stacking energy: -75.713
Base-Backbone interact. energy: -0.083
local terms energy: -88.112804
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -12.322
flat angles C4'-P-C4' energy: -18.094
flat angles P-C4'-P energy: -15.511
tors. eta vs tors. theta energy: -25.268
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: 4
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -239.681242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.681242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.681242 (E_RNA)
where:
Base-Base interactions energy: -164.319
where: short stacking energy: -67.662
Base-Backbone interact. energy: 3.226
local terms energy: -78.588738
where:
bonds (distance) C4'-P energy: -14.631
bonds (distance) P-C4' energy: -14.456
flat angles C4'-P-C4' energy: -12.520
flat angles P-C4'-P energy: -15.170
tors. eta vs tors. theta energy: -21.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -238.138266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.138266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.138266 (E_RNA)
where:
Base-Base interactions energy: -154.753
where: short stacking energy: -65.351
Base-Backbone interact. energy: -0.026
local terms energy: -83.359622
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -17.544
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -21.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -229.252608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.252608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.252608 (E_RNA)
where:
Base-Base interactions energy: -149.009
where: short stacking energy: -75.002
Base-Backbone interact. energy: 0.342
local terms energy: -80.585318
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -17.259
flat angles P-C4'-P energy: -14.971
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: 7, replica: 7
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -99.428427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.428427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.428427 (E_RNA)
where:
Base-Base interactions energy: -41.415
where: short stacking energy: -41.415
Base-Backbone interact. energy: -0.104
local terms energy: -57.909724
where:
bonds (distance) C4'-P energy: -18.705
bonds (distance) P-C4' energy: -10.356
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -4.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -102.373332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.373332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.373332 (E_RNA)
where:
Base-Base interactions energy: -48.037
where: short stacking energy: -31.277
Base-Backbone interact. energy: -0.261
local terms energy: -54.074955
where:
bonds (distance) C4'-P energy: -9.504
bonds (distance) P-C4' energy: -16.943
flat angles C4'-P-C4' energy: -13.453
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -4.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -85.542581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.542581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.542581 (E_RNA)
where:
Base-Base interactions energy: -39.229
where: short stacking energy: -17.599
Base-Backbone interact. energy: -0.415
local terms energy: -45.898794
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -15.357
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -1.739
tors. eta vs tors. theta energy: -0.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -79.566269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.566269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.566269 (E_RNA)
where:
Base-Base interactions energy: -27.653
where: short stacking energy: -26.926
Base-Backbone interact. energy: -0.109
local terms energy: -51.804055
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -15.574
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -1.308
tors. eta vs tors. theta energy: -6.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -258.853676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.853676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.853676 (E_RNA)
where:
Base-Base interactions energy: -166.057
where: short stacking energy: -84.856
Base-Backbone interact. energy: 1.229
local terms energy: -94.025670
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -19.775
flat angles P-C4'-P energy: -14.486
tors. eta vs tors. theta energy: -26.598
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: 5
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -261.064673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.064673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.064673 (E_RNA)
where:
Base-Base interactions energy: -163.887
where: short stacking energy: -85.004
Base-Backbone interact. energy: 1.975
local terms energy: -99.151984
where:
bonds (distance) C4'-P energy: -19.696
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -21.172
flat angles P-C4'-P energy: -13.896
tors. eta vs tors. theta energy: -26.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -245.639132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.639132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.639132 (E_RNA)
where:
Base-Base interactions energy: -162.499
where: short stacking energy: -58.204
Base-Backbone interact. energy: -0.228
local terms energy: -82.911909
where:
bonds (distance) C4'-P energy: -15.819
bonds (distance) P-C4' energy: -19.922
flat angles C4'-P-C4' energy: -18.646
flat angles P-C4'-P energy: -13.265
tors. eta vs tors. theta energy: -15.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -253.172340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.172340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.172340 (E_RNA)
where:
Base-Base interactions energy: -162.691
where: short stacking energy: -72.648
Base-Backbone interact. energy: -0.467
local terms energy: -90.013526
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -17.846
flat angles P-C4'-P energy: -15.760
tors. eta vs tors. theta energy: -25.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -242.010505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.010505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.010505 (E_RNA)
where:
Base-Base interactions energy: -158.107
where: short stacking energy: -79.508
Base-Backbone interact. energy: -0.004
local terms energy: -83.899200
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -12.646
flat angles C4'-P-C4' energy: -17.311
flat angles P-C4'-P energy: -12.955
tors. eta vs tors. theta energy: -24.712
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: 9
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -228.897413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.897413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.897413 (E_RNA)
where:
Base-Base interactions energy: -148.609
where: short stacking energy: -64.087
Base-Backbone interact. energy: 0.770
local terms energy: -81.058242
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -18.083
flat angles P-C4'-P energy: -9.100
tors. eta vs tors. theta energy: -21.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -97.973209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.973209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.973209 (E_RNA)
where:
Base-Base interactions energy: -39.536
where: short stacking energy: -30.303
Base-Backbone interact. energy: -0.116
local terms energy: -58.320377
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -14.767
flat angles C4'-P-C4' energy: -17.992
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -3.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -101.500443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.500443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.500443 (E_RNA)
where:
Base-Base interactions energy: -46.388
where: short stacking energy: -22.064
Base-Backbone interact. energy: -0.147
local terms energy: -54.965615
where:
bonds (distance) C4'-P energy: -10.841
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -1.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -81.234106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.234106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.234106 (E_RNA)
where:
Base-Base interactions energy: -34.645
where: short stacking energy: -32.895
Base-Backbone interact. energy: -0.073
local terms energy: -46.516342
where:
bonds (distance) C4'-P energy: -17.511
bonds (distance) P-C4' energy: -10.410
flat angles C4'-P-C4' energy: -7.911
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -0.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -83.045119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.045119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.045119 (E_RNA)
where:
Base-Base interactions energy: -25.991
where: short stacking energy: -20.715
Base-Backbone interact. energy: -0.028
local terms energy: -57.026462
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -19.345
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -3.776
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: 1, replica: 10
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -268.214878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.214878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.214878 (E_RNA)
where:
Base-Base interactions energy: -174.466
where: short stacking energy: -83.268
Base-Backbone interact. energy: -0.039
local terms energy: -93.710005
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -20.268
flat angles C4'-P-C4' energy: -17.218
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -27.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -264.209401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.209401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.209401 (E_RNA)
where:
Base-Base interactions energy: -172.709
where: short stacking energy: -84.087
Base-Backbone interact. energy: -0.003
local terms energy: -91.497521
where:
bonds (distance) C4'-P energy: -15.844
bonds (distance) P-C4' energy: -17.360
flat angles C4'-P-C4' energy: -19.869
flat angles P-C4'-P energy: -12.194
tors. eta vs tors. theta energy: -26.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -225.242093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.242093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.242093 (E_RNA)
where:
Base-Base interactions energy: -147.208
where: short stacking energy: -71.523
Base-Backbone interact. energy: -0.110
local terms energy: -77.923814
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -17.468
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -19.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -213.138831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.138831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.138831 (E_RNA)
where:
Base-Base interactions energy: -137.814
where: short stacking energy: -64.091
Base-Backbone interact. energy: 1.094
local terms energy: -76.419380
where:
bonds (distance) C4'-P energy: -16.815
bonds (distance) P-C4' energy: -13.877
flat angles C4'-P-C4' energy: -17.751
flat angles P-C4'-P energy: -10.710
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: 5, replica: 6
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -253.471377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.471377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.471377 (E_RNA)
where:
Base-Base interactions energy: -172.609
where: short stacking energy: -81.634
Base-Backbone interact. energy: 2.609
local terms energy: -83.470655
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -12.186
tors. eta vs tors. theta energy: -25.818
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: 9
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -217.320355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.320355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.320355 (E_RNA)
where:
Base-Base interactions energy: -141.243
where: short stacking energy: -63.394
Base-Backbone interact. energy: -0.089
local terms energy: -75.989009
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -16.832
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -22.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -113.280346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.280346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.280346 (E_RNA)
where:
Base-Base interactions energy: -53.927
where: short stacking energy: -40.903
Base-Backbone interact. energy: -0.123
local terms energy: -59.230705
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -11.683
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -7.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -90.312015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.312015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.312015 (E_RNA)
where:
Base-Base interactions energy: -35.315
where: short stacking energy: -30.119
Base-Backbone interact. energy: -0.230
local terms energy: -54.766664
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -9.948
flat angles P-C4'-P energy: -8.460
tors. eta vs tors. theta energy: -3.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -72.024208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.024208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.024208 (E_RNA)
where:
Base-Base interactions energy: -22.876
where: short stacking energy: -15.726
Base-Backbone interact. energy: -0.138
local terms energy: -49.009947
where:
bonds (distance) C4'-P energy: -11.303
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -18.846
flat angles P-C4'-P energy: -4.646
tors. eta vs tors. theta energy: 1.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -86.358405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.358405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.358405 (E_RNA)
where:
Base-Base interactions energy: -34.923
where: short stacking energy: -26.864
Base-Backbone interact. energy: -0.126
local terms energy: -51.309209
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -4.234
tors. eta vs tors. theta energy: -5.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -264.885907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.885907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.885907 (E_RNA)
where:
Base-Base interactions energy: -168.624
where: short stacking energy: -74.865
Base-Backbone interact. energy: -0.204
local terms energy: -96.057234
where:
bonds (distance) C4'-P energy: -18.926
bonds (distance) P-C4' energy: -19.946
flat angles C4'-P-C4' energy: -19.448
flat angles P-C4'-P energy: -13.807
tors. eta vs tors. theta energy: -23.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -260.252628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.252628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.252628 (E_RNA)
where:
Base-Base interactions energy: -165.886
where: short stacking energy: -73.822
Base-Backbone interact. energy: -0.095
local terms energy: -94.271509
where:
bonds (distance) C4'-P energy: -16.639
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -17.329
flat angles P-C4'-P energy: -15.219
tors. eta vs tors. theta energy: -26.472
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: 4
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -223.271372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.271372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.271372 (E_RNA)
where:
Base-Base interactions energy: -145.871
where: short stacking energy: -61.955
Base-Backbone interact. energy: -1.267
local terms energy: -76.133225
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -18.138
flat angles C4'-P-C4' energy: -17.843
flat angles P-C4'-P energy: -11.618
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: 4, replica: 2
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -214.453373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.453373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.453373 (E_RNA)
where:
Base-Base interactions energy: -137.916
where: short stacking energy: -69.503
Base-Backbone interact. energy: -0.007
local terms energy: -76.530334
where:
bonds (distance) C4'-P energy: -15.996
bonds (distance) P-C4' energy: -18.530
flat angles C4'-P-C4' energy: -12.610
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -18.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -239.304513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.304513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.304513 (E_RNA)
where:
Base-Base interactions energy: -153.470
where: short stacking energy: -73.025
Base-Backbone interact. energy: -0.030
local terms energy: -85.805213
where:
bonds (distance) C4'-P energy: -14.179
bonds (distance) P-C4' energy: -16.860
flat angles C4'-P-C4' energy: -17.940
flat angles P-C4'-P energy: -15.283
tors. eta vs tors. theta energy: -21.543
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: 6, replica: 9
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -221.963761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.963761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.963761 (E_RNA)
where:
Base-Base interactions energy: -135.198
where: short stacking energy: -61.709
Base-Backbone interact. energy: -1.341
local terms energy: -85.424707
where:
bonds (distance) C4'-P energy: -17.053
bonds (distance) P-C4' energy: -18.802
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -22.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -111.407627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.407627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.407627 (E_RNA)
where:
Base-Base interactions energy: -42.348
where: short stacking energy: -40.145
Base-Backbone interact. energy: -0.015
local terms energy: -69.044606
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -10.583
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -13.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -96.363221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.363221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.363221 (E_RNA)
where:
Base-Base interactions energy: -33.111
where: short stacking energy: -31.607
Base-Backbone interact. energy: -0.222
local terms energy: -63.030307
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -19.650
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -6.913
tors. eta vs tors. theta energy: -7.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -88.086226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.086226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.086226 (E_RNA)
where:
Base-Base interactions energy: -33.465
where: short stacking energy: -29.276
Base-Backbone interact. energy: 1.171
local terms energy: -55.792594
where:
bonds (distance) C4'-P energy: -13.351
bonds (distance) P-C4' energy: -20.405
flat angles C4'-P-C4' energy: -12.274
flat angles P-C4'-P energy: -10.645
tors. eta vs tors. theta energy: 0.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -77.146007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.146007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.146007 (E_RNA)
where:
Base-Base interactions energy: -26.532
where: short stacking energy: -23.622
Base-Backbone interact. energy: -0.132
local terms energy: -50.481515
where:
bonds (distance) C4'-P energy: -10.273
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -9.251
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -4.496
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: 5
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -254.654791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.654791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.654791 (E_RNA)
where:
Base-Base interactions energy: -163.050
where: short stacking energy: -81.384
Base-Backbone interact. energy: -0.111
local terms energy: -91.494039
where:
bonds (distance) C4'-P energy: -16.662
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -20.035
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -23.307
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: 4
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -232.563761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.563761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.563761 (E_RNA)
where:
Base-Base interactions energy: -152.737
where: short stacking energy: -64.824
Base-Backbone interact. energy: -0.225
local terms energy: -79.601444
where:
bonds (distance) C4'-P energy: -14.890
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -17.816
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -19.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -258.206584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.206584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.206584 (E_RNA)
where:
Base-Base interactions energy: -174.585
where: short stacking energy: -82.081
Base-Backbone interact. energy: -0.028
local terms energy: -83.593793
where:
bonds (distance) C4'-P energy: -7.886
bonds (distance) P-C4' energy: -16.797
flat angles C4'-P-C4' energy: -19.522
flat angles P-C4'-P energy: -15.414
tors. eta vs tors. theta energy: -23.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -225.363046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.363046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.363046 (E_RNA)
where:
Base-Base interactions energy: -142.453
where: short stacking energy: -65.649
Base-Backbone interact. energy: -0.132
local terms energy: -82.778013
where:
bonds (distance) C4'-P energy: -18.872
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -14.586
tors. eta vs tors. theta energy: -17.424
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: 2
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -222.560252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.560252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.560252 (E_RNA)
where:
Base-Base interactions energy: -141.306
where: short stacking energy: -73.638
Base-Backbone interact. energy: -1.572
local terms energy: -79.682666
where:
bonds (distance) C4'-P energy: -17.958
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -16.440
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: -21.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -219.289975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.289975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.289975 (E_RNA)
where:
Base-Base interactions energy: -137.891
where: short stacking energy: -57.379
Base-Backbone interact. energy: -0.012
local terms energy: -81.386225
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -14.629
flat angles C4'-P-C4' energy: -17.770
flat angles P-C4'-P energy: -12.871
tors. eta vs tors. theta energy: -21.314
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: 8
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -121.679537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.679537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.679537 (E_RNA)
where:
Base-Base interactions energy: -54.006
where: short stacking energy: -40.883
Base-Backbone interact. energy: -0.081
local terms energy: -67.592764
where:
bonds (distance) C4'-P energy: -9.776
bonds (distance) P-C4' energy: -20.193
flat angles C4'-P-C4' energy: -16.987
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -10.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -97.610418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.610418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.610418 (E_RNA)
where:
Base-Base interactions energy: -37.389
where: short stacking energy: -32.747
Base-Backbone interact. energy: -1.183
local terms energy: -59.038607
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -5.896
tors. eta vs tors. theta energy: -7.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -98.441708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.441708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.441708 (E_RNA)
where:
Base-Base interactions energy: -42.191
where: short stacking energy: -41.745
Base-Backbone interact. energy: -0.072
local terms energy: -56.178746
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -16.571
flat angles C4'-P-C4' energy: -10.341
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -6.991
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: 1
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -82.547953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.547953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.547953 (E_RNA)
where:
Base-Base interactions energy: -25.988
where: short stacking energy: -19.756
Base-Backbone interact. energy: -0.244
local terms energy: -56.315442
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -18.316
flat angles P-C4'-P energy: -6.603
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: 1, replica: 5
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -261.094289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.094289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.094289 (E_RNA)
where:
Base-Base interactions energy: -170.707
where: short stacking energy: -81.589
Base-Backbone interact. energy: -0.099
local terms energy: -90.288148
where:
bonds (distance) C4'-P energy: -15.019
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -19.699
flat angles P-C4'-P energy: -12.879
tors. eta vs tors. theta energy: -26.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -258.322305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.322305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.322305 (E_RNA)
where:
Base-Base interactions energy: -162.839
where: short stacking energy: -84.424
Base-Backbone interact. energy: -0.765
local terms energy: -94.717909
where:
bonds (distance) C4'-P energy: -19.780
bonds (distance) P-C4' energy: -19.411
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -13.761
tors. eta vs tors. theta energy: -27.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -254.367431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.367431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.367431 (E_RNA)
where:
Base-Base interactions energy: -165.738
where: short stacking energy: -75.039
Base-Backbone interact. energy: -0.046
local terms energy: -88.583529
where:
bonds (distance) C4'-P energy: -18.509
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -20.287
flat angles P-C4'-P energy: -10.312
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: 4, replica: 6
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -240.265889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.265889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.265889 (E_RNA)
where:
Base-Base interactions energy: -158.727
where: short stacking energy: -75.547
Base-Backbone interact. energy: -2.504
local terms energy: -79.034305
where:
bonds (distance) C4'-P energy: -17.039
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -19.541
flat angles P-C4'-P energy: -7.234
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: 5, replica: 2
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -237.959073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.959073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.959073 (E_RNA)
where:
Base-Base interactions energy: -150.388
where: short stacking energy: -63.525
Base-Backbone interact. energy: -0.002
local terms energy: -87.568987
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -15.729
flat angles C4'-P-C4' energy: -19.364
flat angles P-C4'-P energy: -14.698
tors. eta vs tors. theta energy: -23.645
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: 166
Temperature: 1.150000
Total energy: -227.694661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.694661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.694661 (E_RNA)
where:
Base-Base interactions energy: -151.935
where: short stacking energy: -73.125
Base-Backbone interact. energy: -0.012
local terms energy: -75.747372
where:
bonds (distance) C4'-P energy: -16.801
bonds (distance) P-C4' energy: -10.601
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: -23.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -104.316946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.316946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.316946 (E_RNA)
where:
Base-Base interactions energy: -37.838
where: short stacking energy: -37.838
Base-Backbone interact. energy: -0.027
local terms energy: -66.452634
where:
bonds (distance) C4'-P energy: -18.396
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -10.016
flat angles P-C4'-P energy: -13.622
tors. eta vs tors. theta energy: -6.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -83.280742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.280742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.280742 (E_RNA)
where:
Base-Base interactions energy: -32.813
where: short stacking energy: -32.813
Base-Backbone interact. energy: -0.307
local terms energy: -50.160669
where:
bonds (distance) C4'-P energy: -6.386
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: -3.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -85.078905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.078905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.078905 (E_RNA)
where:
Base-Base interactions energy: -36.579
where: short stacking energy: -34.313
Base-Backbone interact. energy: -0.412
local terms energy: -48.088301
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -8.905
flat angles C4'-P-C4' energy: -8.339
flat angles P-C4'-P energy: -12.305
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: 7
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -90.365450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.365450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.365450 (E_RNA)
where:
Base-Base interactions energy: -42.491
where: short stacking energy: -36.429
Base-Backbone interact. energy: -0.921
local terms energy: -46.953441
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -9.866
flat angles C4'-P-C4' energy: -9.600
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -2.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -263.232219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.232219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.232219 (E_RNA)
where:
Base-Base interactions energy: -174.446
where: short stacking energy: -89.464
Base-Backbone interact. energy: -0.298
local terms energy: -88.488748
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -17.384
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -25.851
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: 2, replica: 10
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -242.355698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.355698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.355698 (E_RNA)
where:
Base-Base interactions energy: -157.723
where: short stacking energy: -67.817
Base-Backbone interact. energy: -0.703
local terms energy: -83.929318
where:
bonds (distance) C4'-P energy: -14.988
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -18.429
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -20.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -247.616009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.616009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.616009 (E_RNA)
where:
Base-Base interactions energy: -171.413
where: short stacking energy: -76.672
Base-Backbone interact. energy: -0.029
local terms energy: -76.173259
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -20.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -246.918486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.918486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.918486 (E_RNA)
where:
Base-Base interactions energy: -158.983
where: short stacking energy: -78.842
Base-Backbone interact. energy: 0.559
local terms energy: -88.494360
where:
bonds (distance) C4'-P energy: -19.079
bonds (distance) P-C4' energy: -15.714
flat angles C4'-P-C4' energy: -17.872
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -25.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -233.489339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.489339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.489339 (E_RNA)
where:
Base-Base interactions energy: -149.394
where: short stacking energy: -71.956
Base-Backbone interact. energy: -0.003
local terms energy: -84.092140
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -18.524
flat angles C4'-P-C4' energy: -17.699
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: -24.073
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: 167
Temperature: 1.150000
Total energy: -245.131311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.131311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.131311 (E_RNA)
where:
Base-Base interactions energy: -161.581
where: short stacking energy: -69.737
Base-Backbone interact. energy: -0.617
local terms energy: -82.933500
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -15.063
tors. eta vs tors. theta energy: -24.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -106.702758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.702758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.702758 (E_RNA)
where:
Base-Base interactions energy: -37.569
where: short stacking energy: -30.361
Base-Backbone interact. energy: -0.363
local terms energy: -68.770776
where:
bonds (distance) C4'-P energy: -17.656
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -19.329
flat angles P-C4'-P energy: -8.781
tors. eta vs tors. theta energy: -7.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -92.960285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.960285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.960285 (E_RNA)
where:
Base-Base interactions energy: -44.400
where: short stacking energy: -29.594
Base-Backbone interact. energy: -0.203
local terms energy: -48.357092
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -12.121
flat angles C4'-P-C4' energy: -10.432
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -1.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -82.173814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.173814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.173814 (E_RNA)
where:
Base-Base interactions energy: -32.409
where: short stacking energy: -32.409
Base-Backbone interact. energy: -0.190
local terms energy: -49.574639
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -3.252
tors. eta vs tors. theta energy: -5.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -76.485041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.485041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.485041 (E_RNA)
where:
Base-Base interactions energy: -33.012
where: short stacking energy: -23.044
Base-Backbone interact. energy: 0.895
local terms energy: -44.368606
where:
bonds (distance) C4'-P energy: -12.386
bonds (distance) P-C4' energy: -18.467
flat angles C4'-P-C4' energy: -6.796
flat angles P-C4'-P energy: -10.290
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: 10
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -259.974187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.974187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.974187 (E_RNA)
where:
Base-Base interactions energy: -175.720
where: short stacking energy: -85.466
Base-Backbone interact. energy: 0.060
local terms energy: -84.314906
where:
bonds (distance) C4'-P energy: -11.922
bonds (distance) P-C4' energy: -16.270
flat angles C4'-P-C4' energy: -20.391
flat angles P-C4'-P energy: -12.243
tors. eta vs tors. theta energy: -23.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -267.254975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.254975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.254975 (E_RNA)
where:
Base-Base interactions energy: -174.700
where: short stacking energy: -88.350
Base-Backbone interact. energy: -0.067
local terms energy: -92.487965
where:
bonds (distance) C4'-P energy: -16.643
bonds (distance) P-C4' energy: -17.325
flat angles C4'-P-C4' energy: -18.501
flat angles P-C4'-P energy: -15.028
tors. eta vs tors. theta energy: -24.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -264.250390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.250390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.250390 (E_RNA)
where:
Base-Base interactions energy: -171.698
where: short stacking energy: -84.140
Base-Backbone interact. energy: -0.244
local terms energy: -92.308320
where:
bonds (distance) C4'-P energy: -17.034
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -19.893
flat angles P-C4'-P energy: -13.257
tors. eta vs tors. theta energy: -25.472
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: 168
Temperature: 1.050000
Total energy: -258.863861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.863861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.863861 (E_RNA)
where:
Base-Base interactions energy: -163.966
where: short stacking energy: -83.884
Base-Backbone interact. energy: -0.036
local terms energy: -94.861699
where:
bonds (distance) C4'-P energy: -20.697
bonds (distance) P-C4' energy: -19.781
flat angles C4'-P-C4' energy: -16.993
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -27.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -236.344659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.344659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.344659 (E_RNA)
where:
Base-Base interactions energy: -152.290
where: short stacking energy: -67.260
Base-Backbone interact. energy: -0.001
local terms energy: -84.054032
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -15.964
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: -23.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -212.896677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.896677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.896677 (E_RNA)
where:
Base-Base interactions energy: -137.897
where: short stacking energy: -63.087
Base-Backbone interact. energy: -0.181
local terms energy: -74.818976
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -17.931
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -13.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -104.542235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.542235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.542235 (E_RNA)
where:
Base-Base interactions energy: -52.637
where: short stacking energy: -38.750
Base-Backbone interact. energy: 1.895
local terms energy: -53.800118
where:
bonds (distance) C4'-P energy: -9.746
bonds (distance) P-C4' energy: -13.555
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -13.186
tors. eta vs tors. theta energy: -3.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -98.098504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.098504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.098504 (E_RNA)
where:
Base-Base interactions energy: -47.761
where: short stacking energy: -31.278
Base-Backbone interact. energy: -0.203
local terms energy: -50.134744
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -11.254
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -7.066
tors. eta vs tors. theta energy: -4.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -112.675989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.675989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.675989 (E_RNA)
where:
Base-Base interactions energy: -52.213
where: short stacking energy: -32.643
Base-Backbone interact. energy: -0.096
local terms energy: -60.366848
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -16.046
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -6.464
tors. eta vs tors. theta energy: -5.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -82.211946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.211946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.211946 (E_RNA)
where:
Base-Base interactions energy: -25.007
where: short stacking energy: -24.492
Base-Backbone interact. energy: -0.095
local terms energy: -57.109680
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -7.181
tors. eta vs tors. theta energy: -3.407
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: 10
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -268.155370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.155370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.155370 (E_RNA)
where:
Base-Base interactions energy: -179.770
where: short stacking energy: -76.352
Base-Backbone interact. energy: -0.099
local terms energy: -88.286803
where:
bonds (distance) C4'-P energy: -17.903
bonds (distance) P-C4' energy: -19.034
flat angles C4'-P-C4' energy: -12.148
flat angles P-C4'-P energy: -14.732
tors. eta vs tors. theta energy: -24.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -257.023533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.023533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.023533 (E_RNA)
where:
Base-Base interactions energy: -168.509
where: short stacking energy: -80.005
Base-Backbone interact. energy: -0.029
local terms energy: -88.485505
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -17.931
flat angles P-C4'-P energy: -12.680
tors. eta vs tors. theta energy: -25.441
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: 169
Temperature: 1.000000
Total energy: -247.026758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.026758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.026758 (E_RNA)
where:
Base-Base interactions energy: -155.898
where: short stacking energy: -76.707
Base-Backbone interact. energy: -0.029
local terms energy: -91.099825
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -18.572
flat angles C4'-P-C4' energy: -18.205
flat angles P-C4'-P energy: -12.682
tors. eta vs tors. theta energy: -25.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -252.409492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.409492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.409492 (E_RNA)
where:
Base-Base interactions energy: -162.593
where: short stacking energy: -81.384
Base-Backbone interact. energy: -0.215
local terms energy: -89.602302
where:
bonds (distance) C4'-P energy: -18.032
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -19.506
flat angles P-C4'-P energy: -10.443
tors. eta vs tors. theta energy: -25.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -245.412464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.412464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.412464 (E_RNA)
where:
Base-Base interactions energy: -161.635
where: short stacking energy: -69.469
Base-Backbone interact. energy: -0.004
local terms energy: -83.772713
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -18.034
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -21.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -227.836226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.836226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.836226 (E_RNA)
where:
Base-Base interactions energy: -147.830
where: short stacking energy: -77.523
Base-Backbone interact. energy: -0.077
local terms energy: -79.928648
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -18.495
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -18.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -106.691016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.691016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.691016 (E_RNA)
where:
Base-Base interactions energy: -52.048
where: short stacking energy: -23.352
Base-Backbone interact. energy: 1.617
local terms energy: -56.260030
where:
bonds (distance) C4'-P energy: -16.262
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: 1.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -100.122801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.122801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.122801 (E_RNA)
where:
Base-Base interactions energy: -40.744
where: short stacking energy: -40.534
Base-Backbone interact. energy: 1.084
local terms energy: -60.462950
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -19.306
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: -8.718
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: 8
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -92.099765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.099765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.099765 (E_RNA)
where:
Base-Base interactions energy: -34.481
where: short stacking energy: -27.222
Base-Backbone interact. energy: -0.322
local terms energy: -57.296977
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -11.199
flat angles P-C4'-P energy: -5.448
tors. eta vs tors. theta energy: -9.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -80.010691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.010691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.010691 (E_RNA)
where:
Base-Base interactions energy: -24.700
where: short stacking energy: -23.336
Base-Backbone interact. energy: -0.239
local terms energy: -55.071112
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -11.522
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: 10
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -264.160980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.160980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.160980 (E_RNA)
where:
Base-Base interactions energy: -166.295
where: short stacking energy: -73.751
Base-Backbone interact. energy: -0.110
local terms energy: -97.755977
where:
bonds (distance) C4'-P energy: -17.325
bonds (distance) P-C4' energy: -19.322
flat angles C4'-P-C4' energy: -18.893
flat angles P-C4'-P energy: -15.908
tors. eta vs tors. theta energy: -26.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -257.733024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.733024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.733024 (E_RNA)
where:
Base-Base interactions energy: -167.901
where: short stacking energy: -87.743
Base-Backbone interact. energy: -0.416
local terms energy: -89.416239
where:
bonds (distance) C4'-P energy: -16.547
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -16.776
flat angles P-C4'-P energy: -12.850
tors. eta vs tors. theta energy: -26.247
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: 4
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -239.761267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.761267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.761267 (E_RNA)
where:
Base-Base interactions energy: -161.992
where: short stacking energy: -81.024
Base-Backbone interact. energy: -0.011
local terms energy: -77.758227
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -15.764
flat angles C4'-P-C4' energy: -18.247
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: -21.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -256.824043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.824043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.824043 (E_RNA)
where:
Base-Base interactions energy: -166.409
where: short stacking energy: -80.642
Base-Backbone interact. energy: -0.013
local terms energy: -90.402171
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -20.537
flat angles P-C4'-P energy: -12.613
tors. eta vs tors. theta energy: -27.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -232.468976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.468976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.468976 (E_RNA)
where:
Base-Base interactions energy: -151.103
where: short stacking energy: -61.194
Base-Backbone interact. energy: -0.005
local terms energy: -81.361044
where:
bonds (distance) C4'-P energy: -12.483
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -15.682
tors. eta vs tors. theta energy: -20.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -224.715493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.715493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.715493 (E_RNA)
where:
Base-Base interactions energy: -151.985
where: short stacking energy: -75.634
Base-Backbone interact. energy: -0.134
local terms energy: -72.596419
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -13.173
flat angles C4'-P-C4' energy: -18.397
flat angles P-C4'-P energy: -6.657
tors. eta vs tors. theta energy: -20.312
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: 1
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -107.357570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.357570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.357570 (E_RNA)
where:
Base-Base interactions energy: -53.496
where: short stacking energy: -35.070
Base-Backbone interact. energy: 0.214
local terms energy: -54.075408
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -9.081
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: -7.718
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: 7
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -97.909267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.909267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.909267 (E_RNA)
where:
Base-Base interactions energy: -43.831
where: short stacking energy: -40.732
Base-Backbone interact. energy: -1.658
local terms energy: -52.420469
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -19.091
flat angles C4'-P-C4' energy: -10.159
flat angles P-C4'-P energy: -6.198
tors. eta vs tors. theta energy: -4.296
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: 170
Temperature: 1.300000
Total energy: -95.221949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.221949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.221949 (E_RNA)
where:
Base-Base interactions energy: -40.540
where: short stacking energy: -40.540
Base-Backbone interact. energy: -0.345
local terms energy: -54.337462
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -10.830
flat angles P-C4'-P energy: -6.056
tors. eta vs tors. theta energy: -4.102
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: 8
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -86.622133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.622133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.622133 (E_RNA)
where:
Base-Base interactions energy: -33.977
where: short stacking energy: -24.176
Base-Backbone interact. energy: -0.219
local terms energy: -52.426725
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -16.447
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: 2.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -268.421991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.421991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.421991 (E_RNA)
where:
Base-Base interactions energy: -177.973
where: short stacking energy: -79.841
Base-Backbone interact. energy: -0.600
local terms energy: -89.848980
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -18.795
flat angles C4'-P-C4' energy: -17.913
flat angles P-C4'-P energy: -12.438
tors. eta vs tors. theta energy: -27.424
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: 5
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -257.639372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.639372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.639372 (E_RNA)
where:
Base-Base interactions energy: -169.225
where: short stacking energy: -81.718
Base-Backbone interact. energy: -0.002
local terms energy: -88.413026
where:
bonds (distance) C4'-P energy: -18.641
bonds (distance) P-C4' energy: -16.387
flat angles C4'-P-C4' energy: -18.900
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -24.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -243.890237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.890237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.890237 (E_RNA)
where:
Base-Base interactions energy: -167.440
where: short stacking energy: -73.598
Base-Backbone interact. energy: 4.550
local terms energy: -81.001030
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -18.016
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -24.111
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: 4, replica: 2
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -241.418110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.418110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.418110 (E_RNA)
where:
Base-Base interactions energy: -158.098
where: short stacking energy: -72.961
Base-Backbone interact. energy: -0.004
local terms energy: -83.316503
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -18.449
flat angles P-C4'-P energy: -12.879
tors. eta vs tors. theta energy: -21.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -233.894326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.894326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.894326 (E_RNA)
where:
Base-Base interactions energy: -151.688
where: short stacking energy: -64.831
Base-Backbone interact. energy: -0.040
local terms energy: -82.167067
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -18.730
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -8.458
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: 6, replica: 9
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -234.610110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.610110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.610110 (E_RNA)
where:
Base-Base interactions energy: -154.262
where: short stacking energy: -76.875
Base-Backbone interact. energy: -0.348
local terms energy: -80.000256
where:
bonds (distance) C4'-P energy: -10.624
bonds (distance) P-C4' energy: -19.231
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -22.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -121.877338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.877338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.877338 (E_RNA)
where:
Base-Base interactions energy: -62.988
where: short stacking energy: -37.742
Base-Backbone interact. energy: 0.351
local terms energy: -59.240602
where:
bonds (distance) C4'-P energy: -16.900
bonds (distance) P-C4' energy: -15.826
flat angles C4'-P-C4' energy: -12.066
flat angles P-C4'-P energy: -10.624
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: 8, replica: 3
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -91.879307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.879307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.879307 (E_RNA)
where:
Base-Base interactions energy: -39.873
where: short stacking energy: -31.360
Base-Backbone interact. energy: -0.127
local terms energy: -51.879193
where:
bonds (distance) C4'-P energy: -10.345
bonds (distance) P-C4' energy: -19.205
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -0.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -92.696050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.696050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.696050 (E_RNA)
where:
Base-Base interactions energy: -39.957
where: short stacking energy: -32.816
Base-Backbone interact. energy: -0.196
local terms energy: -52.542924
where:
bonds (distance) C4'-P energy: -17.505
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -8.811
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -3.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -87.832784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.832784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.832784 (E_RNA)
where:
Base-Base interactions energy: -28.261
where: short stacking energy: -26.936
Base-Backbone interact. energy: -0.120
local terms energy: -59.451648
where:
bonds (distance) C4'-P energy: -18.126
bonds (distance) P-C4' energy: -12.294
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -10.281
tors. eta vs tors. theta energy: -4.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -266.870593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.870593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.870593 (E_RNA)
where:
Base-Base interactions energy: -180.886
where: short stacking energy: -86.287
Base-Backbone interact. energy: 0.949
local terms energy: -86.933620
where:
bonds (distance) C4'-P energy: -17.417
bonds (distance) P-C4' energy: -16.233
flat angles C4'-P-C4' energy: -18.221
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -25.904
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: 2, replica: 5
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -249.140545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.140545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.140545 (E_RNA)
where:
Base-Base interactions energy: -163.725
where: short stacking energy: -73.839
Base-Backbone interact. energy: -0.098
local terms energy: -85.317864
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -11.200
tors. eta vs tors. theta energy: -22.860
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: 3, replica: 2
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -250.326344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.326344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.326344 (E_RNA)
where:
Base-Base interactions energy: -168.999
where: short stacking energy: -72.190
Base-Backbone interact. energy: -0.003
local terms energy: -81.324337
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -18.675
flat angles C4'-P-C4' energy: -13.858
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -24.236
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: 4
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -236.848228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.848228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.848228 (E_RNA)
where:
Base-Base interactions energy: -144.969
where: short stacking energy: -67.303
Base-Backbone interact. energy: -0.112
local terms energy: -91.767999
where:
bonds (distance) C4'-P energy: -20.375
bonds (distance) P-C4' energy: -20.567
flat angles C4'-P-C4' energy: -17.657
flat angles P-C4'-P energy: -12.867
tors. eta vs tors. theta energy: -20.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -244.073774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.073774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.073774 (E_RNA)
where:
Base-Base interactions energy: -159.955
where: short stacking energy: -71.650
Base-Backbone interact. energy: -0.002
local terms energy: -84.116277
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -13.795
flat angles C4'-P-C4' energy: -17.719
flat angles P-C4'-P energy: -12.309
tors. eta vs tors. theta energy: -24.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -232.861472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.861472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.861472 (E_RNA)
where:
Base-Base interactions energy: -151.301
where: short stacking energy: -67.683
Base-Backbone interact. energy: -0.697
local terms energy: -80.863807
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -19.428
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -20.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -97.274677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.274677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.274677 (E_RNA)
where:
Base-Base interactions energy: -34.648
where: short stacking energy: -34.648
Base-Backbone interact. energy: -0.098
local terms energy: -62.528660
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -6.019
tors. eta vs tors. theta energy: -6.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -90.849403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.849403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.849403 (E_RNA)
where:
Base-Base interactions energy: -33.414
where: short stacking energy: -16.736
Base-Backbone interact. energy: 2.652
local terms energy: -60.086847
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -17.359
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -14.301
tors. eta vs tors. theta energy: 0.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -76.074147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.074147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.074147 (E_RNA)
where:
Base-Base interactions energy: -27.824
where: short stacking energy: -25.223
Base-Backbone interact. energy: 0.879
local terms energy: -49.128414
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -15.376
flat angles C4'-P-C4' energy: -10.064
flat angles P-C4'-P energy: -4.371
tors. eta vs tors. theta energy: -3.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -78.094489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.094489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.094489 (E_RNA)
where:
Base-Base interactions energy: -25.521
where: short stacking energy: -25.521
Base-Backbone interact. energy: -0.215
local terms energy: -52.359055
where:
bonds (distance) C4'-P energy: -9.573
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: 1.134
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: 10
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -265.091889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.091889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.091889 (E_RNA)
where:
Base-Base interactions energy: -175.189
where: short stacking energy: -82.698
Base-Backbone interact. energy: -0.085
local terms energy: -89.817649
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -19.408
flat angles P-C4'-P energy: -13.809
tors. eta vs tors. theta energy: -25.475
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: 5
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -254.032229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.032229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.032229 (E_RNA)
where:
Base-Base interactions energy: -166.199
where: short stacking energy: -77.981
Base-Backbone interact. energy: -0.084
local terms energy: -87.749814
where:
bonds (distance) C4'-P energy: -15.056
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -18.590
flat angles P-C4'-P energy: -11.043
tors. eta vs tors. theta energy: -22.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -245.468780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.468780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.468780 (E_RNA)
where:
Base-Base interactions energy: -158.788
where: short stacking energy: -81.399
Base-Backbone interact. energy: -0.298
local terms energy: -86.382351
where:
bonds (distance) C4'-P energy: -14.796
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -20.639
flat angles P-C4'-P energy: -9.238
tors. eta vs tors. theta energy: -24.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -253.140391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.140391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.140391 (E_RNA)
where:
Base-Base interactions energy: -164.661
where: short stacking energy: -81.238
Base-Backbone interact. energy: -0.014
local terms energy: -88.464972
where:
bonds (distance) C4'-P energy: -17.663
bonds (distance) P-C4' energy: -15.671
flat angles C4'-P-C4' energy: -19.384
flat angles P-C4'-P energy: -9.881
tors. eta vs tors. theta energy: -25.866
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: 4
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -217.911235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.911235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.911235 (E_RNA)
where:
Base-Base interactions energy: -143.040
where: short stacking energy: -70.597
Base-Backbone interact. energy: -0.010
local terms energy: -74.860960
where:
bonds (distance) C4'-P energy: -15.210
bonds (distance) P-C4' energy: -18.573
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -7.677
tors. eta vs tors. theta energy: -17.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -207.448448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.448448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.448448 (E_RNA)
where:
Base-Base interactions energy: -137.151
where: short stacking energy: -58.775
Base-Backbone interact. energy: -0.007
local terms energy: -70.289879
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -11.268
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -12.302
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: 7, replica: 1
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -101.417471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.417471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.417471 (E_RNA)
where:
Base-Base interactions energy: -39.326
where: short stacking energy: -34.205
Base-Backbone interact. energy: 0.466
local terms energy: -62.557116
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -20.355
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -4.767
tors. eta vs tors. theta energy: -7.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -97.650681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.650681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.650681 (E_RNA)
where:
Base-Base interactions energy: -36.688
where: short stacking energy: -36.688
Base-Backbone interact. energy: -0.037
local terms energy: -60.925139
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -12.521
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -12.177
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: 9, replica: 3
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -93.507080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.507080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.507080 (E_RNA)
where:
Base-Base interactions energy: -35.915
where: short stacking energy: -35.365
Base-Backbone interact. energy: -0.560
local terms energy: -57.032733
where:
bonds (distance) C4'-P energy: -5.805
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -19.795
flat angles P-C4'-P energy: -13.361
tors. eta vs tors. theta energy: -4.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -79.007609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.007609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.007609 (E_RNA)
where:
Base-Base interactions energy: -29.396
where: short stacking energy: -29.396
Base-Backbone interact. energy: 0.203
local terms energy: -49.814953
where:
bonds (distance) C4'-P energy: -17.241
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -7.566
flat angles P-C4'-P energy: -11.319
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: 1, replica: 10
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -264.592563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.592563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.592563 (E_RNA)
where:
Base-Base interactions energy: -175.217
where: short stacking energy: -82.155
Base-Backbone interact. energy: -1.794
local terms energy: -87.581300
where:
bonds (distance) C4'-P energy: -16.972
bonds (distance) P-C4' energy: -13.468
flat angles C4'-P-C4' energy: -17.798
flat angles P-C4'-P energy: -12.132
tors. eta vs tors. theta energy: -27.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -250.388783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.388783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.388783 (E_RNA)
where:
Base-Base interactions energy: -163.213
where: short stacking energy: -74.707
Base-Backbone interact. energy: -0.318
local terms energy: -86.857642
where:
bonds (distance) C4'-P energy: -17.344
bonds (distance) P-C4' energy: -20.859
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -21.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -251.706408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.706408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.706408 (E_RNA)
where:
Base-Base interactions energy: -158.316
where: short stacking energy: -72.147
Base-Backbone interact. energy: -0.533
local terms energy: -92.858142
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -18.903
flat angles P-C4'-P energy: -12.445
tors. eta vs tors. theta energy: -26.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -236.068935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.068935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.068935 (E_RNA)
where:
Base-Base interactions energy: -157.564
where: short stacking energy: -66.854
Base-Backbone interact. energy: -0.284
local terms energy: -78.220910
where:
bonds (distance) C4'-P energy: -16.798
bonds (distance) P-C4' energy: -10.978
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -22.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -223.180427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.180427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.180427 (E_RNA)
where:
Base-Base interactions energy: -143.968
where: short stacking energy: -67.119
Base-Backbone interact. energy: 0.773
local terms energy: -79.985658
where:
bonds (distance) C4'-P energy: -11.393
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -16.405
tors. eta vs tors. theta energy: -21.141
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: 6, replica: 6
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -225.773532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.773532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.773532 (E_RNA)
where:
Base-Base interactions energy: -151.991
where: short stacking energy: -71.483
Base-Backbone interact. energy: -0.006
local terms energy: -73.776545
where:
bonds (distance) C4'-P energy: -14.536
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -8.469
tors. eta vs tors. theta energy: -19.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -103.304031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.304031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.304031 (E_RNA)
where:
Base-Base interactions energy: -45.881
where: short stacking energy: -38.423
Base-Backbone interact. energy: 1.324
local terms energy: -58.747190
where:
bonds (distance) C4'-P energy: -15.959
bonds (distance) P-C4' energy: -13.269
flat angles C4'-P-C4' energy: -12.747
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -7.486
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: 1
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -85.499692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.499692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.499692 (E_RNA)
where:
Base-Base interactions energy: -41.502
where: short stacking energy: -25.921
Base-Backbone interact. energy: -0.400
local terms energy: -43.597910
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -12.030
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -3.797
tors. eta vs tors. theta energy: 0.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -85.845679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.845679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.845679 (E_RNA)
where:
Base-Base interactions energy: -29.750
where: short stacking energy: -23.118
Base-Backbone interact. energy: -0.057
local terms energy: -56.038483
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -16.438
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: 0.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -103.519190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.519190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.519190 (E_RNA)
where:
Base-Base interactions energy: -63.678
where: short stacking energy: -27.162
Base-Backbone interact. energy: 0.296
local terms energy: -40.137302
where:
bonds (distance) C4'-P energy: -9.811
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -2.589
tors. eta vs tors. theta energy: 0.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -255.893203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.893203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.893203 (E_RNA)
where:
Base-Base interactions energy: -167.851
where: short stacking energy: -84.733
Base-Backbone interact. energy: -0.027
local terms energy: -88.015012
where:
bonds (distance) C4'-P energy: -14.601
bonds (distance) P-C4' energy: -17.872
flat angles C4'-P-C4' energy: -18.193
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -26.543
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: 175
Temperature: 0.950000
Total energy: -265.630347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.630347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.630347 (E_RNA)
where:
Base-Base interactions energy: -177.740
where: short stacking energy: -88.932
Base-Backbone interact. energy: -0.607
local terms energy: -87.283318
where:
bonds (distance) C4'-P energy: -10.716
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -19.246
flat angles P-C4'-P energy: -15.307
tors. eta vs tors. theta energy: -27.359
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: 5
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -256.313007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.313007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.313007 (E_RNA)
where:
Base-Base interactions energy: -171.144
where: short stacking energy: -79.050
Base-Backbone interact. energy: 0.191
local terms energy: -85.360128
where:
bonds (distance) C4'-P energy: -17.626
bonds (distance) P-C4' energy: -15.312
flat angles C4'-P-C4' energy: -18.747
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -24.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -226.533028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.533028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.533028 (E_RNA)
where:
Base-Base interactions energy: -149.443
where: short stacking energy: -68.495
Base-Backbone interact. energy: -1.207
local terms energy: -75.883710
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -15.076
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -12.629
tors. eta vs tors. theta energy: -15.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -240.645504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.645504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.645504 (E_RNA)
where:
Base-Base interactions energy: -152.806
where: short stacking energy: -82.237
Base-Backbone interact. energy: 2.764
local terms energy: -90.603541
where:
bonds (distance) C4'-P energy: -18.073
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -14.086
tors. eta vs tors. theta energy: -22.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -204.292340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.292340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.292340 (E_RNA)
where:
Base-Base interactions energy: -129.799
where: short stacking energy: -58.469
Base-Backbone interact. energy: -0.522
local terms energy: -73.970762
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -15.949
tors. eta vs tors. theta energy: -17.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -99.413346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.413346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.413346 (E_RNA)
where:
Base-Base interactions energy: -42.127
where: short stacking energy: -26.005
Base-Backbone interact. energy: -1.306
local terms energy: -55.980855
where:
bonds (distance) C4'-P energy: -18.967
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -4.191
tors. eta vs tors. theta energy: -2.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -106.041061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.041061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.041061 (E_RNA)
where:
Base-Base interactions energy: -33.522
where: short stacking energy: -33.330
Base-Backbone interact. energy: -0.093
local terms energy: -72.425796
where:
bonds (distance) C4'-P energy: -17.762
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -18.197
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -7.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -94.808142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.808142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.808142 (E_RNA)
where:
Base-Base interactions energy: -45.634
where: short stacking energy: -24.480
Base-Backbone interact. energy: -0.499
local terms energy: -48.675166
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -19.239
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -3.722
tors. eta vs tors. theta energy: 5.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -77.124884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.124884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.124884 (E_RNA)
where:
Base-Base interactions energy: -33.569
where: short stacking energy: -22.917
Base-Backbone interact. energy: -0.483
local terms energy: -43.073132
where:
bonds (distance) C4'-P energy: -16.360
bonds (distance) P-C4' energy: -12.297
flat angles C4'-P-C4' energy: -12.486
flat angles P-C4'-P energy: -4.657
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: 1, replica: 2
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -263.472723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.472723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.472723 (E_RNA)
where:
Base-Base interactions energy: -173.989
where: short stacking energy: -78.479
Base-Backbone interact. energy: -0.316
local terms energy: -89.167509
where:
bonds (distance) C4'-P energy: -18.554
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -15.886
flat angles P-C4'-P energy: -14.951
tors. eta vs tors. theta energy: -23.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -261.001739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.001739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.001739 (E_RNA)
where:
Base-Base interactions energy: -166.263
where: short stacking energy: -76.501
Base-Backbone interact. energy: -0.008
local terms energy: -94.730126
where:
bonds (distance) C4'-P energy: -17.478
bonds (distance) P-C4' energy: -18.897
flat angles C4'-P-C4' energy: -17.220
flat angles P-C4'-P energy: -15.481
tors. eta vs tors. theta energy: -25.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -250.638708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.638708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.638708 (E_RNA)
where:
Base-Base interactions energy: -158.691
where: short stacking energy: -77.002
Base-Backbone interact. energy: -0.054
local terms energy: -91.893435
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -20.619
flat angles C4'-P-C4' energy: -20.268
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -27.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -234.056662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.056662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.056662 (E_RNA)
where:
Base-Base interactions energy: -151.046
where: short stacking energy: -70.378
Base-Backbone interact. energy: -0.015
local terms energy: -82.994899
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -18.726
flat angles P-C4'-P energy: -8.896
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: 5, replica: 6
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -214.510127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.510127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.510127 (E_RNA)
where:
Base-Base interactions energy: -134.314
where: short stacking energy: -58.902
Base-Backbone interact. energy: 0.510
local terms energy: -80.706497
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -17.703
flat angles P-C4'-P energy: -15.903
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: 9
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -225.688764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.688764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.688764 (E_RNA)
where:
Base-Base interactions energy: -147.592
where: short stacking energy: -64.836
Base-Backbone interact. energy: 0.364
local terms energy: -78.461285
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -15.829
flat angles P-C4'-P energy: -13.980
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: 7, replica: 8
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -100.152967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.152967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.152967 (E_RNA)
where:
Base-Base interactions energy: -35.091
where: short stacking energy: -29.345
Base-Backbone interact. energy: -0.060
local terms energy: -65.002115
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -19.164
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -11.703
tors. eta vs tors. theta energy: -4.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -116.746871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.746871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.746871 (E_RNA)
where:
Base-Base interactions energy: -58.781
where: short stacking energy: -35.300
Base-Backbone interact. energy: -0.202
local terms energy: -57.763736
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -16.126
flat angles P-C4'-P energy: -5.467
tors. eta vs tors. theta energy: -3.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -94.679966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.679966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.679966 (E_RNA)
where:
Base-Base interactions energy: -33.502
where: short stacking energy: -32.304
Base-Backbone interact. energy: -0.098
local terms energy: -61.080513
where:
bonds (distance) C4'-P energy: -11.745
bonds (distance) P-C4' energy: -15.612
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -7.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -88.230134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.230134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.230134 (E_RNA)
where:
Base-Base interactions energy: -41.902
where: short stacking energy: -25.642
Base-Backbone interact. energy: 3.229
local terms energy: -49.557125
where:
bonds (distance) C4'-P energy: -17.505
bonds (distance) P-C4' energy: -18.315
flat angles C4'-P-C4' energy: -3.975
flat angles P-C4'-P energy: -5.389
tors. eta vs tors. theta energy: -4.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -262.442979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.442979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.442979 (E_RNA)
where:
Base-Base interactions energy: -166.997
where: short stacking energy: -78.224
Base-Backbone interact. energy: -0.036
local terms energy: -95.409925
where:
bonds (distance) C4'-P energy: -18.318
bonds (distance) P-C4' energy: -19.923
flat angles C4'-P-C4' energy: -18.779
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -26.291
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: 5
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -266.011188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.011188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.011188 (E_RNA)
where:
Base-Base interactions energy: -175.160
where: short stacking energy: -83.776
Base-Backbone interact. energy: 1.768
local terms energy: -92.619642
where:
bonds (distance) C4'-P energy: -17.628
bonds (distance) P-C4' energy: -20.344
flat angles C4'-P-C4' energy: -18.897
flat angles P-C4'-P energy: -10.230
tors. eta vs tors. theta energy: -25.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -233.890054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.890054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.890054 (E_RNA)
where:
Base-Base interactions energy: -152.387
where: short stacking energy: -65.504
Base-Backbone interact. energy: -0.134
local terms energy: -81.368382
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -17.878
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -21.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -260.085624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.085624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.085624 (E_RNA)
where:
Base-Base interactions energy: -167.157
where: short stacking energy: -75.234
Base-Backbone interact. energy: -0.117
local terms energy: -92.811983
where:
bonds (distance) C4'-P energy: -16.824
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -17.641
flat angles P-C4'-P energy: -14.281
tors. eta vs tors. theta energy: -26.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -240.229656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.229656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.229656 (E_RNA)
where:
Base-Base interactions energy: -160.363
where: short stacking energy: -74.955
Base-Backbone interact. energy: -0.503
local terms energy: -79.363779
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -18.565
flat angles C4'-P-C4' energy: -16.595
flat angles P-C4'-P energy: -7.803
tors. eta vs tors. theta energy: -23.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -218.756076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.756076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.756076 (E_RNA)
where:
Base-Base interactions energy: -147.027
where: short stacking energy: -68.885
Base-Backbone interact. energy: 0.753
local terms energy: -72.481901
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -19.121
flat angles P-C4'-P energy: -11.112
tors. eta vs tors. theta energy: -15.401
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: 8
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -102.326371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.326371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.326371 (E_RNA)
where:
Base-Base interactions energy: -42.410
where: short stacking energy: -42.410
Base-Backbone interact. energy: -0.403
local terms energy: -59.513497
where:
bonds (distance) C4'-P energy: -10.278
bonds (distance) P-C4' energy: -15.587
flat angles C4'-P-C4' energy: -17.212
flat angles P-C4'-P energy: -11.960
tors. eta vs tors. theta energy: -4.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -95.627050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.627050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.627050 (E_RNA)
where:
Base-Base interactions energy: -35.887
where: short stacking energy: -33.551
Base-Backbone interact. energy: -0.140
local terms energy: -59.599881
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -12.164
flat angles C4'-P-C4' energy: -14.531
flat angles P-C4'-P energy: -13.358
tors. eta vs tors. theta energy: -2.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -87.885214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.885214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.885214 (E_RNA)
where:
Base-Base interactions energy: -42.647
where: short stacking energy: -33.207
Base-Backbone interact. energy: -0.231
local terms energy: -45.007156
where:
bonds (distance) C4'-P energy: -10.696
bonds (distance) P-C4' energy: -10.120
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: 0.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -80.486768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.486768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.486768 (E_RNA)
where:
Base-Base interactions energy: -26.909
where: short stacking energy: -26.909
Base-Backbone interact. energy: -0.255
local terms energy: -53.322407
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -19.010
flat angles C4'-P-C4' energy: -10.948
flat angles P-C4'-P energy: -7.085
tors. eta vs tors. theta energy: -0.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -259.481087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.481087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.481087 (E_RNA)
where:
Base-Base interactions energy: -171.383
where: short stacking energy: -81.597
Base-Backbone interact. energy: -0.146
local terms energy: -87.951580
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -19.548
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -15.763
tors. eta vs tors. theta energy: -23.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -262.181910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.181910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.181910 (E_RNA)
where:
Base-Base interactions energy: -174.339
where: short stacking energy: -84.331
Base-Backbone interact. energy: -0.124
local terms energy: -87.719350
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -17.967
flat angles P-C4'-P energy: -13.925
tors. eta vs tors. theta energy: -26.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -248.672907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.672907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.672907 (E_RNA)
where:
Base-Base interactions energy: -162.818
where: short stacking energy: -70.419
Base-Backbone interact. energy: -0.048
local terms energy: -85.806910
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -18.158
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -23.673
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: 10
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -229.006290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.006290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.006290 (E_RNA)
where:
Base-Base interactions energy: -149.672
where: short stacking energy: -69.419
Base-Backbone interact. energy: 0.089
local terms energy: -79.423328
where:
bonds (distance) C4'-P energy: -10.738
bonds (distance) P-C4' energy: -19.028
flat angles C4'-P-C4' energy: -15.407
flat angles P-C4'-P energy: -15.518
tors. eta vs tors. theta energy: -18.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -246.368551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.368551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.368551 (E_RNA)
where:
Base-Base interactions energy: -159.386
where: short stacking energy: -73.907
Base-Backbone interact. energy: -0.002
local terms energy: -86.980939
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -19.073
flat angles C4'-P-C4' energy: -18.033
flat angles P-C4'-P energy: -15.147
tors. eta vs tors. theta energy: -22.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -226.937929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.937929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.937929 (E_RNA)
where:
Base-Base interactions energy: -147.649
where: short stacking energy: -68.966
Base-Backbone interact. energy: -0.027
local terms energy: -79.262732
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -12.033
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: 7, replica: 3
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -129.177537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.177537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.177537 (E_RNA)
where:
Base-Base interactions energy: -80.947
where: short stacking energy: -42.059
Base-Backbone interact. energy: -0.558
local terms energy: -47.671792
where:
bonds (distance) C4'-P energy: -9.616
bonds (distance) P-C4' energy: -15.686
flat angles C4'-P-C4' energy: -12.647
flat angles P-C4'-P energy: -6.746
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: 8, replica: 8
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -85.477851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.477851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.477851 (E_RNA)
where:
Base-Base interactions energy: -35.442
where: short stacking energy: -24.871
Base-Backbone interact. energy: -0.387
local terms energy: -49.649054
where:
bonds (distance) C4'-P energy: -12.688
bonds (distance) P-C4' energy: -17.637
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: 4.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -84.087831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.087831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.087831 (E_RNA)
where:
Base-Base interactions energy: -23.539
where: short stacking energy: -20.988
Base-Backbone interact. energy: -0.164
local terms energy: -60.384397
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -1.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -84.002739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.002739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.002739 (E_RNA)
where:
Base-Base interactions energy: -38.292
where: short stacking energy: -21.764
Base-Backbone interact. energy: 0.512
local terms energy: -46.222527
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -10.731
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -2.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -259.315415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.315415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.315415 (E_RNA)
where:
Base-Base interactions energy: -168.947
where: short stacking energy: -85.589
Base-Backbone interact. energy: -0.087
local terms energy: -90.281754
where:
bonds (distance) C4'-P energy: -19.608
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -13.058
tors. eta vs tors. theta energy: -25.298
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: 2, replica: 2
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -256.859778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.859778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.859778 (E_RNA)
where:
Base-Base interactions energy: -163.760
where: short stacking energy: -80.905
Base-Backbone interact. energy: -0.083
local terms energy: -93.016281
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -20.985
flat angles P-C4'-P energy: -11.566
tors. eta vs tors. theta energy: -25.956
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: 6
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -253.873413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.873413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.873413 (E_RNA)
where:
Base-Base interactions energy: -165.927
where: short stacking energy: -78.025
Base-Backbone interact. energy: -0.099
local terms energy: -87.847757
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -18.278
flat angles P-C4'-P energy: -13.942
tors. eta vs tors. theta energy: -22.483
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: 179
Temperature: 1.050000
Total energy: -223.803625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.803625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.803625 (E_RNA)
where:
Base-Base interactions energy: -151.920
where: short stacking energy: -62.207
Base-Backbone interact. energy: -0.189
local terms energy: -71.694173
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -13.159
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -17.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -245.037087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.037087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.037087 (E_RNA)
where:
Base-Base interactions energy: -166.371
where: short stacking energy: -78.500
Base-Backbone interact. energy: -0.002
local terms energy: -78.664361
where:
bonds (distance) C4'-P energy: -11.688
bonds (distance) P-C4' energy: -15.496
flat angles C4'-P-C4' energy: -17.190
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -24.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -227.951374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.951374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.951374 (E_RNA)
where:
Base-Base interactions energy: -156.570
where: short stacking energy: -60.773
Base-Backbone interact. energy: 2.721
local terms energy: -74.102320
where:
bonds (distance) C4'-P energy: -19.422
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -6.124
tors. eta vs tors. theta energy: -17.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -157.441867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.441867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.441867 (E_RNA)
where:
Base-Base interactions energy: -82.566
where: short stacking energy: -41.351
Base-Backbone interact. energy: -0.431
local terms energy: -74.445334
where:
bonds (distance) C4'-P energy: -17.853
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -12.301
flat angles P-C4'-P energy: -15.505
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: 8, replica: 1
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -86.463802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.463802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.463802 (E_RNA)
where:
Base-Base interactions energy: -28.587
where: short stacking energy: -28.587
Base-Backbone interact. energy: -0.304
local terms energy: -57.572435
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -9.371
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -6.735
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: 8
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -81.458898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.458898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.458898 (E_RNA)
where:
Base-Base interactions energy: -25.300
where: short stacking energy: -25.246
Base-Backbone interact. energy: -0.542
local terms energy: -55.617200
where:
bonds (distance) C4'-P energy: -12.510
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -9.580
tors. eta vs tors. theta energy: -0.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -88.450009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.450009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.450009 (E_RNA)
where:
Base-Base interactions energy: -36.487
where: short stacking energy: -32.067
Base-Backbone interact. energy: -0.061
local terms energy: -51.902173
where:
bonds (distance) C4'-P energy: -9.703
bonds (distance) P-C4' energy: -19.585
flat angles C4'-P-C4' energy: -8.726
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -2.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -262.234264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.234264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.234264 (E_RNA)
where:
Base-Base interactions energy: -168.241
where: short stacking energy: -78.103
Base-Backbone interact. energy: -0.072
local terms energy: -93.921529
where:
bonds (distance) C4'-P energy: -19.575
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -19.868
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -25.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -253.621408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.621408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.621408 (E_RNA)
where:
Base-Base interactions energy: -163.738
where: short stacking energy: -74.109
Base-Backbone interact. energy: -0.006
local terms energy: -89.878153
where:
bonds (distance) C4'-P energy: -20.731
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -17.194
flat angles P-C4'-P energy: -15.173
tors. eta vs tors. theta energy: -21.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -242.164825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.164825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.164825 (E_RNA)
where:
Base-Base interactions energy: -161.419
where: short stacking energy: -74.478
Base-Backbone interact. energy: -0.070
local terms energy: -80.675246
where:
bonds (distance) C4'-P energy: -17.333
bonds (distance) P-C4' energy: -17.100
flat angles C4'-P-C4' energy: -12.405
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -22.376
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: 9
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -212.334245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.334245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.334245 (E_RNA)
where:
Base-Base interactions energy: -135.015
where: short stacking energy: -62.539
Base-Backbone interact. energy: -0.128
local terms energy: -77.190758
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -17.863
flat angles P-C4'-P energy: -8.137
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: 4
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -222.792510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.792510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.792510 (E_RNA)
where:
Base-Base interactions energy: -144.034
where: short stacking energy: -66.258
Base-Backbone interact. energy: -0.178
local terms energy: -78.579853
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -17.388
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -12.260
tors. eta vs tors. theta energy: -19.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -229.491670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.491670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.491670 (E_RNA)
where:
Base-Base interactions energy: -144.320
where: short stacking energy: -69.925
Base-Backbone interact. energy: -0.024
local terms energy: -85.147935
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -18.463
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: -27.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -154.953222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.953222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.953222 (E_RNA)
where:
Base-Base interactions energy: -84.173
where: short stacking energy: -50.226
Base-Backbone interact. energy: -0.742
local terms energy: -70.038029
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -17.939
flat angles P-C4'-P energy: -2.781
tors. eta vs tors. theta energy: -13.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -104.713936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.713936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.713936 (E_RNA)
where:
Base-Base interactions energy: -47.226
where: short stacking energy: -39.341
Base-Backbone interact. energy: -0.037
local terms energy: -57.450659
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -5.620
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: 9, replica: 7
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -93.952460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.952460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.952460 (E_RNA)
where:
Base-Base interactions energy: -30.896
where: short stacking energy: -30.896
Base-Backbone interact. energy: -0.260
local terms energy: -62.796596
where:
bonds (distance) C4'-P energy: -17.518
bonds (distance) P-C4' energy: -12.569
flat angles C4'-P-C4' energy: -11.604
flat angles P-C4'-P energy: -15.236
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: 10, replica: 8
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -83.482433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.482433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.482433 (E_RNA)
where:
Base-Base interactions energy: -30.829
where: short stacking energy: -28.034
Base-Backbone interact. energy: -0.521
local terms energy: -52.132302
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -14.160
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -6.307
tors. eta vs tors. theta energy: -1.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -268.943496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.943496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.943496 (E_RNA)
where:
Base-Base interactions energy: -173.686
where: short stacking energy: -80.276
Base-Backbone interact. energy: -0.001
local terms energy: -95.257017
where:
bonds (distance) C4'-P energy: -20.371
bonds (distance) P-C4' energy: -20.244
flat angles C4'-P-C4' energy: -15.448
flat angles P-C4'-P energy: -13.707
tors. eta vs tors. theta energy: -25.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -252.659943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.659943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.659943 (E_RNA)
where:
Base-Base interactions energy: -166.244
where: short stacking energy: -77.451
Base-Backbone interact. energy: -0.047
local terms energy: -86.369164
where:
bonds (distance) C4'-P energy: -15.797
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -18.863
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -26.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -248.286380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.286380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.286380 (E_RNA)
where:
Base-Base interactions energy: -163.232
where: short stacking energy: -81.522
Base-Backbone interact. energy: -0.004
local terms energy: -85.050854
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -18.946
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -11.557
tors. eta vs tors. theta energy: -22.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -240.974651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.974651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.974651 (E_RNA)
where:
Base-Base interactions energy: -151.900
where: short stacking energy: -74.419
Base-Backbone interact. energy: -0.032
local terms energy: -89.042076
where:
bonds (distance) C4'-P energy: -17.737
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -20.262
flat angles P-C4'-P energy: -12.803
tors. eta vs tors. theta energy: -21.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -231.343082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.343082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.343082 (E_RNA)
where:
Base-Base interactions energy: -153.105
where: short stacking energy: -73.191
Base-Backbone interact. energy: -0.531
local terms energy: -77.706237
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -12.954
flat angles C4'-P-C4' energy: -18.181
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: -19.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -223.977496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.977496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.977496 (E_RNA)
where:
Base-Base interactions energy: -145.312
where: short stacking energy: -67.804
Base-Backbone interact. energy: -0.381
local terms energy: -78.283943
where:
bonds (distance) C4'-P energy: -9.345
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -15.263
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: 7, replica: 3
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -152.184455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.184455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.184455 (E_RNA)
where:
Base-Base interactions energy: -86.241
where: short stacking energy: -49.848
Base-Backbone interact. energy: -0.154
local terms energy: -65.788798
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -16.260
flat angles C4'-P-C4' energy: -17.773
flat angles P-C4'-P energy: -11.215
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: 1
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -96.087081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.087081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.087081 (E_RNA)
where:
Base-Base interactions energy: -43.008
where: short stacking energy: -35.819
Base-Backbone interact. energy: -0.049
local terms energy: -53.030728
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -10.295
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -7.998
tors. eta vs tors. theta energy: -5.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -86.657765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.657765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.657765 (E_RNA)
where:
Base-Base interactions energy: -30.860
where: short stacking energy: -18.520
Base-Backbone interact. energy: -0.025
local terms energy: -55.772612
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -18.280
flat angles C4'-P-C4' energy: -10.778
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -3.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -87.751453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.751453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.751453 (E_RNA)
where:
Base-Base interactions energy: -32.794
where: short stacking energy: -26.186
Base-Backbone interact. energy: 1.657
local terms energy: -56.614635
where:
bonds (distance) C4'-P energy: -17.118
bonds (distance) P-C4' energy: -15.055
flat angles C4'-P-C4' energy: -11.246
flat angles P-C4'-P energy: -13.684
tors. eta vs tors. theta energy: 0.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -260.541428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.541428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.541428 (E_RNA)
where:
Base-Base interactions energy: -168.822
where: short stacking energy: -79.271
Base-Backbone interact. energy: -0.051
local terms energy: -91.668953
where:
bonds (distance) C4'-P energy: -17.290
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -18.799
flat angles P-C4'-P energy: -15.312
tors. eta vs tors. theta energy: -25.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -245.445331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.445331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.445331 (E_RNA)
where:
Base-Base interactions energy: -157.472
where: short stacking energy: -73.885
Base-Backbone interact. energy: 0.177
local terms energy: -88.150210
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -19.507
flat angles C4'-P-C4' energy: -19.305
flat angles P-C4'-P energy: -12.369
tors. eta vs tors. theta energy: -23.669
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: 3, replica: 4
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -252.985203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.985203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.985203 (E_RNA)
where:
Base-Base interactions energy: -172.445
where: short stacking energy: -80.688
Base-Backbone interact. energy: -0.471
local terms energy: -80.069356
where:
bonds (distance) C4'-P energy: -16.662
bonds (distance) P-C4' energy: -12.203
flat angles C4'-P-C4' energy: -18.593
flat angles P-C4'-P energy: -11.143
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: 182
Temperature: 1.050000
Total energy: -246.757257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.757257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.757257 (E_RNA)
where:
Base-Base interactions energy: -160.744
where: short stacking energy: -76.327
Base-Backbone interact. energy: -0.019
local terms energy: -85.993286
where:
bonds (distance) C4'-P energy: -17.414
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -11.694
tors. eta vs tors. theta energy: -23.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -233.096907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.096907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.096907 (E_RNA)
where:
Base-Base interactions energy: -152.006
where: short stacking energy: -70.054
Base-Backbone interact. energy: -0.031
local terms energy: -81.060668
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -22.961
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: 10
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -221.097603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.097603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.097603 (E_RNA)
where:
Base-Base interactions energy: -145.980
where: short stacking energy: -58.759
Base-Backbone interact. energy: -0.397
local terms energy: -74.720924
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -18.259
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -6.204
tors. eta vs tors. theta energy: -19.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -168.174206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.174206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.174206 (E_RNA)
where:
Base-Base interactions energy: -104.123
where: short stacking energy: -50.938
Base-Backbone interact. energy: -0.014
local terms energy: -64.037209
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -7.222
tors. eta vs tors. theta energy: -11.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -87.793209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.793209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.793209 (E_RNA)
where:
Base-Base interactions energy: -27.713
where: short stacking energy: -27.713
Base-Backbone interact. energy: -0.151
local terms energy: -59.930008
where:
bonds (distance) C4'-P energy: -13.786
bonds (distance) P-C4' energy: -17.372
flat angles C4'-P-C4' energy: -16.751
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -3.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -88.340151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.340151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.340151 (E_RNA)
where:
Base-Base interactions energy: -45.214
where: short stacking energy: -27.831
Base-Backbone interact. energy: -0.187
local terms energy: -42.938757
where:
bonds (distance) C4'-P energy: -8.126
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -9.653
flat angles P-C4'-P energy: -3.786
tors. eta vs tors. theta energy: -5.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -80.538577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.538577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.538577 (E_RNA)
where:
Base-Base interactions energy: -29.312
where: short stacking energy: -29.612
Base-Backbone interact. energy: -0.014
local terms energy: -51.212677
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -7.445
tors. eta vs tors. theta energy: -1.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -261.228383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.228383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.228383 (E_RNA)
where:
Base-Base interactions energy: -171.411
where: short stacking energy: -78.271
Base-Backbone interact. energy: -1.547
local terms energy: -88.270782
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -20.502
flat angles P-C4'-P energy: -10.180
tors. eta vs tors. theta energy: -25.839
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: 4
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -260.722912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.722912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.722912 (E_RNA)
where:
Base-Base interactions energy: -168.968
where: short stacking energy: -82.936
Base-Backbone interact. energy: -0.001
local terms energy: -91.753599
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -19.987
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: -25.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -255.462506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.462506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.462506 (E_RNA)
where:
Base-Base interactions energy: -169.060
where: short stacking energy: -82.353
Base-Backbone interact. energy: -0.082
local terms energy: -86.320667
where:
bonds (distance) C4'-P energy: -16.840
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -12.476
tors. eta vs tors. theta energy: -25.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -240.632831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.632831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.632831 (E_RNA)
where:
Base-Base interactions energy: -160.546
where: short stacking energy: -68.877
Base-Backbone interact. energy: -0.167
local terms energy: -79.919848
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -12.115
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: 5, replica: 9
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -234.989696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.989696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.989696 (E_RNA)
where:
Base-Base interactions energy: -154.273
where: short stacking energy: -70.623
Base-Backbone interact. energy: -0.464
local terms energy: -80.251953
where:
bonds (distance) C4'-P energy: -17.122
bonds (distance) P-C4' energy: -19.405
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -9.904
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: 6, replica: 10
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -211.257102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.257102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.257102 (E_RNA)
where:
Base-Base interactions energy: -135.247
where: short stacking energy: -48.758
Base-Backbone interact. energy: -0.214
local terms energy: -75.796094
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -16.755
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: -15.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -106.402243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.402243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.402243 (E_RNA)
where:
Base-Base interactions energy: -47.297
where: short stacking energy: -23.886
Base-Backbone interact. energy: 0.353
local terms energy: -59.458453
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -5.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -88.620066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.620066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.620066 (E_RNA)
where:
Base-Base interactions energy: -43.352
where: short stacking energy: -31.356
Base-Backbone interact. energy: -0.204
local terms energy: -45.064033
where:
bonds (distance) C4'-P energy: -6.758
bonds (distance) P-C4' energy: -18.984
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -3.768
tors. eta vs tors. theta energy: -2.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -92.067888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.067888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.067888 (E_RNA)
where:
Base-Base interactions energy: -41.854
where: short stacking energy: -39.992
Base-Backbone interact. energy: 0.175
local terms energy: -50.388976
where:
bonds (distance) C4'-P energy: -9.676
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -11.473
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: -5.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -82.217431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.217431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.217431 (E_RNA)
where:
Base-Base interactions energy: -28.713
where: short stacking energy: -23.745
Base-Backbone interact. energy: -0.101
local terms energy: -53.403598
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -20.038
flat angles C4'-P-C4' energy: -9.643
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -1.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -264.553655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.553655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.553655 (E_RNA)
where:
Base-Base interactions energy: -171.353
where: short stacking energy: -83.694
Base-Backbone interact. energy: -0.267
local terms energy: -92.933624
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -19.983
flat angles C4'-P-C4' energy: -18.551
flat angles P-C4'-P energy: -12.736
tors. eta vs tors. theta energy: -26.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -264.472594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.472594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.472594 (E_RNA)
where:
Base-Base interactions energy: -174.357
where: short stacking energy: -87.032
Base-Backbone interact. energy: -0.099
local terms energy: -90.016346
where:
bonds (distance) C4'-P energy: -17.559
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -20.178
flat angles P-C4'-P energy: -11.158
tors. eta vs tors. theta energy: -24.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -252.267354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.267354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.267354 (E_RNA)
where:
Base-Base interactions energy: -168.421
where: short stacking energy: -71.793
Base-Backbone interact. energy: -0.014
local terms energy: -83.832056
where:
bonds (distance) C4'-P energy: -17.862
bonds (distance) P-C4' energy: -15.753
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -23.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -246.021321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.021321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.021321 (E_RNA)
where:
Base-Base interactions energy: -161.215
where: short stacking energy: -81.684
Base-Backbone interact. energy: -0.065
local terms energy: -84.741257
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -18.559
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -25.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -245.701146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.701146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.701146 (E_RNA)
where:
Base-Base interactions energy: -157.392
where: short stacking energy: -75.945
Base-Backbone interact. energy: 0.126
local terms energy: -88.435231
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -21.305
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -22.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -241.875855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.875855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.875855 (E_RNA)
where:
Base-Base interactions energy: -162.831
where: short stacking energy: -81.750
Base-Backbone interact. energy: -0.049
local terms energy: -78.995704
where:
bonds (distance) C4'-P energy: -10.584
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -18.905
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -25.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -95.935335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.935335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.935335 (E_RNA)
where:
Base-Base interactions energy: -40.254
where: short stacking energy: -21.896
Base-Backbone interact. energy: -0.376
local terms energy: -55.305171
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -15.116
flat angles C4'-P-C4' energy: -14.006
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: 0.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -92.102542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.102542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.102542 (E_RNA)
where:
Base-Base interactions energy: -28.017
where: short stacking energy: -24.046
Base-Backbone interact. energy: 0.824
local terms energy: -64.909555
where:
bonds (distance) C4'-P energy: -14.816
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -17.228
flat angles P-C4'-P energy: -10.841
tors. eta vs tors. theta energy: -5.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -85.946361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.946361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.946361 (E_RNA)
where:
Base-Base interactions energy: -37.011
where: short stacking energy: -31.971
Base-Backbone interact. energy: -0.427
local terms energy: -48.508322
where:
bonds (distance) C4'-P energy: -11.086
bonds (distance) P-C4' energy: -13.777
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: 1.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -84.785060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.785060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.785060 (E_RNA)
where:
Base-Base interactions energy: -26.406
where: short stacking energy: -23.248
Base-Backbone interact. energy: -0.426
local terms energy: -57.953068
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -19.073
flat angles C4'-P-C4' energy: -11.045
flat angles P-C4'-P energy: -12.414
tors. eta vs tors. theta energy: -4.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -251.077309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.077309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.077309 (E_RNA)
where:
Base-Base interactions energy: -163.164
where: short stacking energy: -79.910
Base-Backbone interact. energy: -0.461
local terms energy: -87.451781
where:
bonds (distance) C4'-P energy: -18.244
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -18.074
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -25.106
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: 2, replica: 6
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -244.344805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.344805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.344805 (E_RNA)
where:
Base-Base interactions energy: -154.104
where: short stacking energy: -72.116
Base-Backbone interact. energy: -0.008
local terms energy: -90.232891
where:
bonds (distance) C4'-P energy: -18.681
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -18.821
flat angles P-C4'-P energy: -14.122
tors. eta vs tors. theta energy: -23.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -258.435620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.435620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.435620 (E_RNA)
where:
Base-Base interactions energy: -168.145
where: short stacking energy: -83.714
Base-Backbone interact. energy: -0.044
local terms energy: -90.247198
where:
bonds (distance) C4'-P energy: -17.006
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -18.245
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -27.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -229.908166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.908166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.908166 (E_RNA)
where:
Base-Base interactions energy: -148.058
where: short stacking energy: -69.152
Base-Backbone interact. energy: -0.026
local terms energy: -81.824113
where:
bonds (distance) C4'-P energy: -17.162
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -21.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -235.076933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.076933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.076933 (E_RNA)
where:
Base-Base interactions energy: -155.607
where: short stacking energy: -78.330
Base-Backbone interact. energy: -0.032
local terms energy: -79.437891
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -16.316
flat angles P-C4'-P energy: -11.398
tors. eta vs tors. theta energy: -23.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -236.363471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.363471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.363471 (E_RNA)
where:
Base-Base interactions energy: -152.734
where: short stacking energy: -82.027
Base-Backbone interact. energy: -0.097
local terms energy: -83.532374
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -17.586
flat angles P-C4'-P energy: -12.031
tors. eta vs tors. theta energy: -24.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -96.064310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.064310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.064310 (E_RNA)
where:
Base-Base interactions energy: -28.228
where: short stacking energy: -28.228
Base-Backbone interact. energy: -0.154
local terms energy: -67.682611
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -16.128
flat angles P-C4'-P energy: -12.122
tors. eta vs tors. theta energy: -10.012
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: 8, replica: 3
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -102.458355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.458355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.458355 (E_RNA)
where:
Base-Base interactions energy: -38.588
where: short stacking energy: -37.543
Base-Backbone interact. energy: -0.251
local terms energy: -63.619225
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -16.389
flat angles P-C4'-P energy: -12.456
tors. eta vs tors. theta energy: -5.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -87.248383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.248383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.248383 (E_RNA)
where:
Base-Base interactions energy: -29.163
where: short stacking energy: -28.268
Base-Backbone interact. energy: -0.144
local terms energy: -57.941704
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -17.631
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: 0.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -75.728843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.728843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.728843 (E_RNA)
where:
Base-Base interactions energy: -28.928
where: short stacking energy: -21.733
Base-Backbone interact. energy: -0.141
local terms energy: -46.660462
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -16.084
flat angles C4'-P-C4' energy: -8.707
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: 4.356
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: 186
Temperature: 0.900000
Total energy: -263.440548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.440548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.440548 (E_RNA)
where:
Base-Base interactions energy: -170.402
where: short stacking energy: -79.866
Base-Backbone interact. energy: -1.730
local terms energy: -91.309089
where:
bonds (distance) C4'-P energy: -16.582
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -19.589
flat angles P-C4'-P energy: -13.805
tors. eta vs tors. theta energy: -23.595
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: 6
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -242.501083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.501083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.501083 (E_RNA)
where:
Base-Base interactions energy: -147.739
where: short stacking energy: -69.084
Base-Backbone interact. energy: -0.393
local terms energy: -94.368443
where:
bonds (distance) C4'-P energy: -19.008
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -14.708
tors. eta vs tors. theta energy: -24.286
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: 186
Temperature: 1.000000
Total energy: -253.039129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.039129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.039129 (E_RNA)
where:
Base-Base interactions energy: -168.313
where: short stacking energy: -69.522
Base-Backbone interact. energy: -0.831
local terms energy: -83.895771
where:
bonds (distance) C4'-P energy: -19.026
bonds (distance) P-C4' energy: -9.936
flat angles C4'-P-C4' energy: -18.119
flat angles P-C4'-P energy: -15.167
tors. eta vs tors. theta energy: -21.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -240.685262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.685262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.685262 (E_RNA)
where:
Base-Base interactions energy: -148.993
where: short stacking energy: -68.104
Base-Backbone interact. energy: -0.058
local terms energy: -91.633830
where:
bonds (distance) C4'-P energy: -17.842
bonds (distance) P-C4' energy: -18.092
flat angles C4'-P-C4' energy: -20.071
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: -22.404
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: 9
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -254.413231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.413231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.413231 (E_RNA)
where:
Base-Base interactions energy: -166.728
where: short stacking energy: -70.224
Base-Backbone interact. energy: -0.456
local terms energy: -87.229119
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -17.582
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -13.036
tors. eta vs tors. theta energy: -24.997
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: 186
Temperature: 1.150000
Total energy: -215.663817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.663817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.663817 (E_RNA)
where:
Base-Base interactions energy: -142.657
where: short stacking energy: -67.435
Base-Backbone interact. energy: -0.005
local terms energy: -73.002118
where:
bonds (distance) C4'-P energy: -13.049
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -7.508
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -23.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -107.642270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.642270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.642270 (E_RNA)
where:
Base-Base interactions energy: -41.059
where: short stacking energy: -34.089
Base-Backbone interact. energy: -0.033
local terms energy: -66.549837
where:
bonds (distance) C4'-P energy: -16.968
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -11.559
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: 8, replica: 8
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -91.711552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.711552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.711552 (E_RNA)
where:
Base-Base interactions energy: -34.263
where: short stacking energy: -24.846
Base-Backbone interact. energy: -0.563
local terms energy: -56.885707
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -2.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -93.483268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.483268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.483268 (E_RNA)
where:
Base-Base interactions energy: -32.663
where: short stacking energy: -30.131
Base-Backbone interact. energy: -0.258
local terms energy: -60.562619
where:
bonds (distance) C4'-P energy: -11.320
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -16.846
flat angles P-C4'-P energy: -10.574
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: 10, replica: 1
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -81.337655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.337655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.337655 (E_RNA)
where:
Base-Base interactions energy: -27.525
where: short stacking energy: -18.836
Base-Backbone interact. energy: 0.262
local terms energy: -54.075438
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -7.506
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: 1, replica: 2
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -258.422903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.422903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.422903 (E_RNA)
where:
Base-Base interactions energy: -174.354
where: short stacking energy: -80.840
Base-Backbone interact. energy: -0.001
local terms energy: -84.067994
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -16.481
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -23.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -246.220724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.220724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.220724 (E_RNA)
where:
Base-Base interactions energy: -157.561
where: short stacking energy: -75.571
Base-Backbone interact. energy: -0.014
local terms energy: -88.645693
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -19.880
flat angles P-C4'-P energy: -13.570
tors. eta vs tors. theta energy: -24.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -240.609437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.609437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.609437 (E_RNA)
where:
Base-Base interactions energy: -162.071
where: short stacking energy: -66.016
Base-Backbone interact. energy: -0.105
local terms energy: -78.433811
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -18.647
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -18.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -244.839296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.839296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.839296 (E_RNA)
where:
Base-Base interactions energy: -165.480
where: short stacking energy: -79.814
Base-Backbone interact. energy: -0.180
local terms energy: -79.179374
where:
bonds (distance) C4'-P energy: -17.672
bonds (distance) P-C4' energy: -15.422
flat angles C4'-P-C4' energy: -16.826
flat angles P-C4'-P energy: -6.366
tors. eta vs tors. theta energy: -22.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -236.443067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.443067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.443067 (E_RNA)
where:
Base-Base interactions energy: -159.750
where: short stacking energy: -81.038
Base-Backbone interact. energy: -0.071
local terms energy: -76.622168
where:
bonds (distance) C4'-P energy: -13.248
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -15.202
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: 10
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -209.540069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.540069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.540069 (E_RNA)
where:
Base-Base interactions energy: -130.196
where: short stacking energy: -58.477
Base-Backbone interact. energy: -0.122
local terms energy: -79.222476
where:
bonds (distance) C4'-P energy: -17.969
bonds (distance) P-C4' energy: -16.906
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -11.651
tors. eta vs tors. theta energy: -18.156
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: 7, replica: 3
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -112.587278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.587278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.587278 (E_RNA)
where:
Base-Base interactions energy: -49.376
where: short stacking energy: -44.417
Base-Backbone interact. energy: -0.183
local terms energy: -63.028560
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -11.959
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -9.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -104.987901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.987901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.987901 (E_RNA)
where:
Base-Base interactions energy: -48.878
where: short stacking energy: -27.724
Base-Backbone interact. energy: -0.046
local terms energy: -56.063949
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -19.361
flat angles C4'-P-C4' energy: -7.531
flat angles P-C4'-P energy: -6.594
tors. eta vs tors. theta energy: -5.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -86.925034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.925034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.925034 (E_RNA)
where:
Base-Base interactions energy: -27.221
where: short stacking energy: -26.913
Base-Backbone interact. energy: -0.076
local terms energy: -59.627849
where:
bonds (distance) C4'-P energy: -15.066
bonds (distance) P-C4' energy: -17.173
flat angles C4'-P-C4' energy: -12.807
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -4.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -79.970712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.970712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.970712 (E_RNA)
where:
Base-Base interactions energy: -30.640
where: short stacking energy: -29.580
Base-Backbone interact. energy: -0.327
local terms energy: -49.004300
where:
bonds (distance) C4'-P energy: -9.875
bonds (distance) P-C4' energy: -16.295
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -7.267
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: 1, replica: 4
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -263.967258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.967258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.967258 (E_RNA)
where:
Base-Base interactions energy: -172.905
where: short stacking energy: -81.223
Base-Backbone interact. energy: -0.019
local terms energy: -91.043396
where:
bonds (distance) C4'-P energy: -17.060
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -19.620
flat angles P-C4'-P energy: -13.087
tors. eta vs tors. theta energy: -25.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -243.677500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.677500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.677500 (E_RNA)
where:
Base-Base interactions energy: -151.661
where: short stacking energy: -71.969
Base-Backbone interact. energy: -0.072
local terms energy: -91.943826
where:
bonds (distance) C4'-P energy: -17.482
bonds (distance) P-C4' energy: -20.849
flat angles C4'-P-C4' energy: -17.294
flat angles P-C4'-P energy: -13.862
tors. eta vs tors. theta energy: -22.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -256.077435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.077435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.077435 (E_RNA)
where:
Base-Base interactions energy: -165.563
where: short stacking energy: -82.496
Base-Backbone interact. energy: -0.008
local terms energy: -90.506634
where:
bonds (distance) C4'-P energy: -16.027
bonds (distance) P-C4' energy: -18.163
flat angles C4'-P-C4' energy: -18.626
flat angles P-C4'-P energy: -13.562
tors. eta vs tors. theta energy: -24.128
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: 9
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -255.456238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.456238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.456238 (E_RNA)
where:
Base-Base interactions energy: -163.705
where: short stacking energy: -81.644
Base-Backbone interact. energy: -0.030
local terms energy: -91.720805
where:
bonds (distance) C4'-P energy: -16.462
bonds (distance) P-C4' energy: -19.718
flat angles C4'-P-C4' energy: -19.607
flat angles P-C4'-P energy: -12.491
tors. eta vs tors. theta energy: -23.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -245.684940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.684940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.684940 (E_RNA)
where:
Base-Base interactions energy: -156.457
where: short stacking energy: -76.738
Base-Backbone interact. energy: -0.011
local terms energy: -89.217508
where:
bonds (distance) C4'-P energy: -17.614
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -19.211
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -26.505
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: 10
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -203.964296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.964296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.964296 (E_RNA)
where:
Base-Base interactions energy: -138.393
where: short stacking energy: -59.232
Base-Backbone interact. energy: -0.318
local terms energy: -65.253203
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -12.055
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -5.932
tors. eta vs tors. theta energy: -15.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -124.385720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.385720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.385720 (E_RNA)
where:
Base-Base interactions energy: -58.814
where: short stacking energy: -32.604
Base-Backbone interact. energy: -0.245
local terms energy: -65.327235
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -19.354
flat angles P-C4'-P energy: -5.465
tors. eta vs tors. theta energy: -7.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -98.537491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.537491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.537491 (E_RNA)
where:
Base-Base interactions energy: -38.842
where: short stacking energy: -34.483
Base-Backbone interact. energy: -0.225
local terms energy: -59.470293
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -19.573
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: 0.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -106.940885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.940885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.940885 (E_RNA)
where:
Base-Base interactions energy: -44.661
where: short stacking energy: -28.128
Base-Backbone interact. energy: 0.986
local terms energy: -63.266381
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -20.416
flat angles C4'-P-C4' energy: -10.847
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -7.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -83.997453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.997453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.997453 (E_RNA)
where:
Base-Base interactions energy: -30.103
where: short stacking energy: -28.239
Base-Backbone interact. energy: -0.388
local terms energy: -53.506425
where:
bonds (distance) C4'-P energy: -12.001
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -10.584
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: 189
Temperature: 0.900000
Total energy: -262.996260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.996260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.996260 (E_RNA)
where:
Base-Base interactions energy: -179.503
where: short stacking energy: -85.651
Base-Backbone interact. energy: -0.057
local terms energy: -83.436512
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -14.316
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -8.518
tors. eta vs tors. theta energy: -27.886
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: 6
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -249.498879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.498879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.498879 (E_RNA)
where:
Base-Base interactions energy: -167.014
where: short stacking energy: -73.352
Base-Backbone interact. energy: 0.091
local terms energy: -82.576418
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -16.090
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -10.325
tors. eta vs tors. theta energy: -25.351
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: 2
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -248.939615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.939615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.939615 (E_RNA)
where:
Base-Base interactions energy: -162.311
where: short stacking energy: -82.421
Base-Backbone interact. energy: 0.373
local terms energy: -87.001429
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -17.926
flat angles C4'-P-C4' energy: -18.013
flat angles P-C4'-P energy: -11.958
tors. eta vs tors. theta energy: -22.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -225.079950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.079950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.079950 (E_RNA)
where:
Base-Base interactions energy: -149.252
where: short stacking energy: -56.982
Base-Backbone interact. energy: -0.280
local terms energy: -75.547796
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -20.395
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -14.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -226.627529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.627529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.627529 (E_RNA)
where:
Base-Base interactions energy: -145.944
where: short stacking energy: -64.890
Base-Backbone interact. energy: -0.072
local terms energy: -80.611810
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -17.129
flat angles P-C4'-P energy: -12.535
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: 6, replica: 10
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -173.166214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.166214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.166214 (E_RNA)
where:
Base-Base interactions energy: -109.115
where: short stacking energy: -51.914
Base-Backbone interact. energy: -0.189
local terms energy: -63.862253
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -6.878
tors. eta vs tors. theta energy: -14.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -107.386757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.386757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.386757 (E_RNA)
where:
Base-Base interactions energy: -48.813
where: short stacking energy: -29.139
Base-Backbone interact. energy: 1.797
local terms energy: -60.370605
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -1.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -97.925053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.925053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.925053 (E_RNA)
where:
Base-Base interactions energy: -42.062
where: short stacking energy: -26.564
Base-Backbone interact. energy: -0.077
local terms energy: -55.786346
where:
bonds (distance) C4'-P energy: -16.830
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: -1.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -83.514356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.514356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.514356 (E_RNA)
where:
Base-Base interactions energy: -30.343
where: short stacking energy: -30.343
Base-Backbone interact. energy: -0.065
local terms energy: -53.106730
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -6.281
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: -6.156
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: 10, replica: 8
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -84.621759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.621759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.621759 (E_RNA)
where:
Base-Base interactions energy: -28.886
where: short stacking energy: -21.727
Base-Backbone interact. energy: -0.083
local terms energy: -55.653149
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -16.959
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -10.115
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: 1, replica: 4
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -263.877573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.877573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.877573 (E_RNA)
where:
Base-Base interactions energy: -177.731
where: short stacking energy: -89.691
Base-Backbone interact. energy: -0.003
local terms energy: -86.143578
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -18.497
flat angles C4'-P-C4' energy: -17.344
flat angles P-C4'-P energy: -10.461
tors. eta vs tors. theta energy: -27.228
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: 6
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -242.827177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.827177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.827177 (E_RNA)
where:
Base-Base interactions energy: -155.161
where: short stacking energy: -75.441
Base-Backbone interact. energy: -0.005
local terms energy: -87.660461
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -20.501
flat angles C4'-P-C4' energy: -18.467
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -22.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -247.337989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.337989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.337989 (E_RNA)
where:
Base-Base interactions energy: -155.266
where: short stacking energy: -74.007
Base-Backbone interact. energy: -0.096
local terms energy: -91.975990
where:
bonds (distance) C4'-P energy: -17.673
bonds (distance) P-C4' energy: -20.466
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -14.721
tors. eta vs tors. theta energy: -24.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -232.581709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.581709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.581709 (E_RNA)
where:
Base-Base interactions energy: -148.745
where: short stacking energy: -68.559
Base-Backbone interact. energy: -0.451
local terms energy: -83.385332
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -19.013
flat angles C4'-P-C4' energy: -17.298
flat angles P-C4'-P energy: -13.517
tors. eta vs tors. theta energy: -19.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -247.160497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.160497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.160497 (E_RNA)
where:
Base-Base interactions energy: -160.522
where: short stacking energy: -77.344
Base-Backbone interact. energy: -0.002
local terms energy: -86.636253
where:
bonds (distance) C4'-P energy: -15.929
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -28.524
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: 10
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -197.084952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.084952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.084952 (E_RNA)
where:
Base-Base interactions energy: -130.499
where: short stacking energy: -59.129
Base-Backbone interact. energy: -0.044
local terms energy: -66.541653
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -5.514
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: 7, replica: 7
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -118.741833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.741833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.741833 (E_RNA)
where:
Base-Base interactions energy: -57.380
where: short stacking energy: -39.668
Base-Backbone interact. energy: -0.248
local terms energy: -61.113519
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -12.297
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -6.496
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: 8, replica: 1
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -91.974852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.974852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.974852 (E_RNA)
where:
Base-Base interactions energy: -33.613
where: short stacking energy: -25.888
Base-Backbone interact. energy: -0.131
local terms energy: -58.230242
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -9.748
flat angles P-C4'-P energy: -15.275
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: 9, replica: 8
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -83.606032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.606032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.606032 (E_RNA)
where:
Base-Base interactions energy: -24.418
where: short stacking energy: -24.418
Base-Backbone interact. energy: -0.152
local terms energy: -59.036049
where:
bonds (distance) C4'-P energy: -13.736
bonds (distance) P-C4' energy: -19.629
flat angles C4'-P-C4' energy: -10.491
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: -3.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -87.401152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.401152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.401152 (E_RNA)
where:
Base-Base interactions energy: -24.245
where: short stacking energy: -24.227
Base-Backbone interact. energy: -0.143
local terms energy: -63.012671
where:
bonds (distance) C4'-P energy: -15.682
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -17.134
flat angles P-C4'-P energy: -14.603
tors. eta vs tors. theta energy: -1.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -261.461063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.461063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.461063 (E_RNA)
where:
Base-Base interactions energy: -173.611
where: short stacking energy: -77.555
Base-Backbone interact. energy: 0.033
local terms energy: -87.883284
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -12.497
tors. eta vs tors. theta energy: -26.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -252.155147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.155147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.155147 (E_RNA)
where:
Base-Base interactions energy: -164.596
where: short stacking energy: -77.619
Base-Backbone interact. energy: -0.014
local terms energy: -87.545289
where:
bonds (distance) C4'-P energy: -11.169
bonds (distance) P-C4' energy: -20.046
flat angles C4'-P-C4' energy: -18.185
flat angles P-C4'-P energy: -13.246
tors. eta vs tors. theta energy: -24.900
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: 6
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -242.690816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.690816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.690816 (E_RNA)
where:
Base-Base interactions energy: -158.064
where: short stacking energy: -70.374
Base-Backbone interact. energy: -0.174
local terms energy: -84.452512
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -20.240
flat angles C4'-P-C4' energy: -17.119
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -20.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -237.455370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.455370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.455370 (E_RNA)
where:
Base-Base interactions energy: -163.407
where: short stacking energy: -79.260
Base-Backbone interact. energy: -0.027
local terms energy: -74.021452
where:
bonds (distance) C4'-P energy: -6.896
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: -24.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -218.398909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.398909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.398909 (E_RNA)
where:
Base-Base interactions energy: -145.543
where: short stacking energy: -48.856
Base-Backbone interact. energy: -0.847
local terms energy: -72.008729
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -16.000
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: 6, replica: 10
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -203.569744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.569744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.569744 (E_RNA)
where:
Base-Base interactions energy: -120.774
where: short stacking energy: -56.702
Base-Backbone interact. energy: -0.629
local terms energy: -82.166811
where:
bonds (distance) C4'-P energy: -17.701
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -17.757
flat angles P-C4'-P energy: -13.843
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: 7, replica: 7
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -95.038894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.038894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.038894 (E_RNA)
where:
Base-Base interactions energy: -36.821
where: short stacking energy: -26.596
Base-Backbone interact. energy: 0.536
local terms energy: -58.754256
where:
bonds (distance) C4'-P energy: -10.727
bonds (distance) P-C4' energy: -17.729
flat angles C4'-P-C4' energy: -17.087
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: -2.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -92.338753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.338753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.338753 (E_RNA)
where:
Base-Base interactions energy: -26.604
where: short stacking energy: -26.429
Base-Backbone interact. energy: -0.567
local terms energy: -65.167551
where:
bonds (distance) C4'-P energy: -13.628
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -12.474
tors. eta vs tors. theta energy: -5.678
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: 1
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -76.645852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.645852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.645852 (E_RNA)
where:
Base-Base interactions energy: -21.954
where: short stacking energy: -21.954
Base-Backbone interact. energy: -0.471
local terms energy: -54.221388
where:
bonds (distance) C4'-P energy: -20.134
bonds (distance) P-C4' energy: -15.468
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -12.166
tors. eta vs tors. theta energy: 7.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -87.395545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.395545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.395545 (E_RNA)
where:
Base-Base interactions energy: -29.310
where: short stacking energy: -26.331
Base-Backbone interact. energy: -0.809
local terms energy: -57.276054
where:
bonds (distance) C4'-P energy: -11.267
bonds (distance) P-C4' energy: -17.753
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -2.942
tors. eta vs tors. theta energy: -9.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -266.482358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.482358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.482358 (E_RNA)
where:
Base-Base interactions energy: -177.054
where: short stacking energy: -79.920
Base-Backbone interact. energy: -0.010
local terms energy: -89.418034
where:
bonds (distance) C4'-P energy: -18.419
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -18.197
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -27.428
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: 4
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -259.666257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.666257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.666257 (E_RNA)
where:
Base-Base interactions energy: -171.163
where: short stacking energy: -79.554
Base-Backbone interact. energy: -0.049
local terms energy: -88.453824
where:
bonds (distance) C4'-P energy: -18.719
bonds (distance) P-C4' energy: -16.754
flat angles C4'-P-C4' energy: -15.424
flat angles P-C4'-P energy: -14.514
tors. eta vs tors. theta energy: -23.042
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: 9
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -252.124893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.124893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.124893 (E_RNA)
where:
Base-Base interactions energy: -166.680
where: short stacking energy: -75.413
Base-Backbone interact. energy: -0.099
local terms energy: -85.345716
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -14.606
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: 4, replica: 6
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -243.575573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.575573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.575573 (E_RNA)
where:
Base-Base interactions energy: -161.516
where: short stacking energy: -74.211
Base-Backbone interact. energy: -0.015
local terms energy: -82.043937
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -13.879
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -23.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -229.211743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.211743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.211743 (E_RNA)
where:
Base-Base interactions energy: -151.043
where: short stacking energy: -65.781
Base-Backbone interact. energy: -0.247
local terms energy: -77.922093
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -20.359
flat angles C4'-P-C4' energy: -11.726
flat angles P-C4'-P energy: -13.278
tors. eta vs tors. theta energy: -17.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -228.707180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.707180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.707180 (E_RNA)
where:
Base-Base interactions energy: -146.940
where: short stacking energy: -61.972
Base-Backbone interact. energy: -0.011
local terms energy: -81.756232
where:
bonds (distance) C4'-P energy: -8.559
bonds (distance) P-C4' energy: -19.150
flat angles C4'-P-C4' energy: -17.087
flat angles P-C4'-P energy: -13.974
tors. eta vs tors. theta energy: -22.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -104.407230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.407230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.407230 (E_RNA)
where:
Base-Base interactions energy: -46.294
where: short stacking energy: -42.451
Base-Backbone interact. energy: -0.228
local terms energy: -57.885193
where:
bonds (distance) C4'-P energy: -8.452
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -16.323
flat angles P-C4'-P energy: -10.953
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: 8, replica: 7
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -102.124615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.124615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.124615 (E_RNA)
where:
Base-Base interactions energy: -38.477
where: short stacking energy: -38.067
Base-Backbone interact. energy: -0.094
local terms energy: -63.552682
where:
bonds (distance) C4'-P energy: -9.339
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: -12.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -100.155120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.155120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.155120 (E_RNA)
where:
Base-Base interactions energy: -40.353
where: short stacking energy: -40.353
Base-Backbone interact. energy: -0.067
local terms energy: -59.735406
where:
bonds (distance) C4'-P energy: -10.923
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -7.426
tors. eta vs tors. theta energy: -7.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -81.346591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.346591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.346591 (E_RNA)
where:
Base-Base interactions energy: -32.548
where: short stacking energy: -27.974
Base-Backbone interact. energy: -0.455
local terms energy: -48.344002
where:
bonds (distance) C4'-P energy: -8.209
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: 3.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -266.729805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.729805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.729805 (E_RNA)
where:
Base-Base interactions energy: -171.210
where: short stacking energy: -86.184
Base-Backbone interact. energy: -0.034
local terms energy: -95.485332
where:
bonds (distance) C4'-P energy: -17.277
bonds (distance) P-C4' energy: -20.045
flat angles C4'-P-C4' energy: -19.609
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -26.356
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: 9
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -263.561263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.561263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.561263 (E_RNA)
where:
Base-Base interactions energy: -174.075
where: short stacking energy: -81.726
Base-Backbone interact. energy: -0.062
local terms energy: -89.424117
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -13.971
flat angles C4'-P-C4' energy: -19.275
flat angles P-C4'-P energy: -13.029
tors. eta vs tors. theta energy: -27.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -246.942911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.942911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.942911 (E_RNA)
where:
Base-Base interactions energy: -168.126
where: short stacking energy: -80.752
Base-Backbone interact. energy: -0.123
local terms energy: -78.693952
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -12.506
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -13.114
tors. eta vs tors. theta energy: -26.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -257.349182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.349182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.349182 (E_RNA)
where:
Base-Base interactions energy: -164.800
where: short stacking energy: -74.685
Base-Backbone interact. energy: -0.386
local terms energy: -92.162376
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -17.129
flat angles P-C4'-P energy: -12.536
tors. eta vs tors. theta energy: -25.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -251.477106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.477106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.477106 (E_RNA)
where:
Base-Base interactions energy: -160.880
where: short stacking energy: -74.375
Base-Backbone interact. energy: -0.021
local terms energy: -90.575929
where:
bonds (distance) C4'-P energy: -14.710
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -16.889
flat angles P-C4'-P energy: -14.336
tors. eta vs tors. theta energy: -27.720
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: 10
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -237.180575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.180575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.180575 (E_RNA)
where:
Base-Base interactions energy: -156.582
where: short stacking energy: -71.446
Base-Backbone interact. energy: -0.017
local terms energy: -80.582226
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -11.853
flat angles C4'-P-C4' energy: -18.098
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -23.422
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: 8
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -108.430500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.430500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.430500 (E_RNA)
where:
Base-Base interactions energy: -47.782
where: short stacking energy: -29.446
Base-Backbone interact. energy: 0.473
local terms energy: -61.121419
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -16.534
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -3.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -106.680487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.680487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.680487 (E_RNA)
where:
Base-Base interactions energy: -51.170
where: short stacking energy: -20.671
Base-Backbone interact. energy: -0.156
local terms energy: -55.354250
where:
bonds (distance) C4'-P energy: -11.260
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -13.733
tors. eta vs tors. theta energy: 0.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -87.594397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.594397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.594397 (E_RNA)
where:
Base-Base interactions energy: -30.964
where: short stacking energy: -30.964
Base-Backbone interact. energy: -0.377
local terms energy: -56.254193
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -11.071
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -6.746
tors. eta vs tors. theta energy: -8.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -85.898378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.898378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.898378 (E_RNA)
where:
Base-Base interactions energy: -26.573
where: short stacking energy: -18.937
Base-Backbone interact. energy: -0.414
local terms energy: -58.911728
where:
bonds (distance) C4'-P energy: -14.307
bonds (distance) P-C4' energy: -18.517
flat angles C4'-P-C4' energy: -18.043
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: 1.348
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: 2
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -260.824657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.824657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.824657 (E_RNA)
where:
Base-Base interactions energy: -171.068
where: short stacking energy: -80.619
Base-Backbone interact. energy: -0.058
local terms energy: -89.698131
where:
bonds (distance) C4'-P energy: -17.308
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -17.115
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -26.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -259.343386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.343386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.343386 (E_RNA)
where:
Base-Base interactions energy: -168.821
where: short stacking energy: -81.126
Base-Backbone interact. energy: -0.697
local terms energy: -89.825209
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -19.004
flat angles P-C4'-P energy: -15.727
tors. eta vs tors. theta energy: -25.322
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: 3, replica: 6
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -246.436370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.436370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.436370 (E_RNA)
where:
Base-Base interactions energy: -159.722
where: short stacking energy: -80.859
Base-Backbone interact. energy: -0.191
local terms energy: -86.523359
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -17.623
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: -25.709
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: 4
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -238.373950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.373950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.373950 (E_RNA)
where:
Base-Base interactions energy: -156.284
where: short stacking energy: -74.413
Base-Backbone interact. energy: -0.007
local terms energy: -82.082337
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -19.028
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -25.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -225.839456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.839456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.839456 (E_RNA)
where:
Base-Base interactions energy: -146.573
where: short stacking energy: -63.960
Base-Backbone interact. energy: -0.285
local terms energy: -78.981507
where:
bonds (distance) C4'-P energy: -12.634
bonds (distance) P-C4' energy: -19.929
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -19.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -237.196772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.196772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.196772 (E_RNA)
where:
Base-Base interactions energy: -158.709
where: short stacking energy: -68.519
Base-Backbone interact. energy: -0.003
local terms energy: -78.484204
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -17.620
flat angles P-C4'-P energy: -8.032
tors. eta vs tors. theta energy: -23.933
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: 194
Temperature: 1.200000
Total energy: -123.921919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.921919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.921919 (E_RNA)
where:
Base-Base interactions energy: -58.059
where: short stacking energy: -38.692
Base-Backbone interact. energy: -0.211
local terms energy: -65.652607
where:
bonds (distance) C4'-P energy: -17.629
bonds (distance) P-C4' energy: -16.655
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -7.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -130.941812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.941812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.941812 (E_RNA)
where:
Base-Base interactions energy: -71.144
where: short stacking energy: -33.110
Base-Backbone interact. energy: -0.661
local terms energy: -59.136811
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -9.193
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: 9, replica: 1
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -84.271691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.271691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.271691 (E_RNA)
where:
Base-Base interactions energy: -35.273
where: short stacking energy: -23.689
Base-Backbone interact. energy: -0.247
local terms energy: -48.751163
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -7.151
tors. eta vs tors. theta energy: 3.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -85.232311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.232311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.232311 (E_RNA)
where:
Base-Base interactions energy: -23.679
where: short stacking energy: -21.722
Base-Backbone interact. energy: -0.298
local terms energy: -61.254992
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -14.629
flat angles C4'-P-C4' energy: -15.582
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -6.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -273.654080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.654080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.654080 (E_RNA)
where:
Base-Base interactions energy: -178.683
where: short stacking energy: -88.371
Base-Backbone interact. energy: -0.011
local terms energy: -94.959404
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -18.726
flat angles P-C4'-P energy: -13.952
tors. eta vs tors. theta energy: -26.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -257.031287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.031287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.031287 (E_RNA)
where:
Base-Base interactions energy: -172.904
where: short stacking energy: -81.619
Base-Backbone interact. energy: -0.239
local terms energy: -83.888881
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -19.037
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -24.885
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: 195
Temperature: 1.000000
Total energy: -255.090321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.090321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.090321 (E_RNA)
where:
Base-Base interactions energy: -167.171
where: short stacking energy: -77.411
Base-Backbone interact. energy: -0.041
local terms energy: -87.878192
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -20.058
flat angles P-C4'-P energy: -13.085
tors. eta vs tors. theta energy: -23.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -242.195503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.195503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.195503 (E_RNA)
where:
Base-Base interactions energy: -168.527
where: short stacking energy: -75.813
Base-Backbone interact. energy: -0.035
local terms energy: -73.633168
where:
bonds (distance) C4'-P energy: -10.671
bonds (distance) P-C4' energy: -12.256
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -9.754
tors. eta vs tors. theta energy: -24.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -231.620259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.620259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.620259 (E_RNA)
where:
Base-Base interactions energy: -147.657
where: short stacking energy: -70.301
Base-Backbone interact. energy: -0.032
local terms energy: -83.931053
where:
bonds (distance) C4'-P energy: -17.293
bonds (distance) P-C4' energy: -12.724
flat angles C4'-P-C4' energy: -17.089
flat angles P-C4'-P energy: -11.176
tors. eta vs tors. theta energy: -25.648
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: 6, replica: 5
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -220.809789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.809789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.809789 (E_RNA)
where:
Base-Base interactions energy: -141.595
where: short stacking energy: -53.540
Base-Backbone interact. energy: -0.011
local terms energy: -79.203721
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -16.807
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -13.278
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: 7, replica: 3
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -104.068655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.068655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.068655 (E_RNA)
where:
Base-Base interactions energy: -38.817
where: short stacking energy: -38.554
Base-Backbone interact. energy: -0.569
local terms energy: -64.683327
where:
bonds (distance) C4'-P energy: -17.365
bonds (distance) P-C4' energy: -19.570
flat angles C4'-P-C4' energy: -10.930
flat angles P-C4'-P energy: -8.066
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: 8, replica: 1
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -93.790506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.790506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.790506 (E_RNA)
where:
Base-Base interactions energy: -36.777
where: short stacking energy: -31.213
Base-Backbone interact. energy: -0.022
local terms energy: -56.992319
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -7.624
tors. eta vs tors. theta energy: -6.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -92.890273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.890273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.890273 (E_RNA)
where:
Base-Base interactions energy: -34.538
where: short stacking energy: -34.538
Base-Backbone interact. energy: -0.150
local terms energy: -58.202474
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -11.300
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: -3.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -85.320402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.320402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.320402 (E_RNA)
where:
Base-Base interactions energy: -32.286
where: short stacking energy: -28.687
Base-Backbone interact. energy: -0.077
local terms energy: -52.957058
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -19.513
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -7.043
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: 1, replica: 2
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -267.104160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.104160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.104160 (E_RNA)
where:
Base-Base interactions energy: -172.983
where: short stacking energy: -87.444
Base-Backbone interact. energy: -0.313
local terms energy: -93.808082
where:
bonds (distance) C4'-P energy: -15.880
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -17.965
flat angles P-C4'-P energy: -15.950
tors. eta vs tors. theta energy: -26.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -231.224881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.224881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.224881 (E_RNA)
where:
Base-Base interactions energy: -151.743
where: short stacking energy: -74.866
Base-Backbone interact. energy: -0.316
local terms energy: -79.166418
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -16.798
flat angles P-C4'-P energy: -14.745
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: 3, replica: 10
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -259.352560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.352560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.352560 (E_RNA)
where:
Base-Base interactions energy: -172.740
where: short stacking energy: -81.545
Base-Backbone interact. energy: -0.040
local terms energy: -86.573073
where:
bonds (distance) C4'-P energy: -17.518
bonds (distance) P-C4' energy: -18.819
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -22.972
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: 4, replica: 6
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -243.533955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.533955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.533955 (E_RNA)
where:
Base-Base interactions energy: -155.386
where: short stacking energy: -80.528
Base-Backbone interact. energy: -0.125
local terms energy: -88.023263
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -19.928
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -24.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -238.124798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.124798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.124798 (E_RNA)
where:
Base-Base interactions energy: -154.136
where: short stacking energy: -74.988
Base-Backbone interact. energy: -0.077
local terms energy: -83.912569
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -17.554
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -12.810
tors. eta vs tors. theta energy: -21.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -205.213434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.213434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.213434 (E_RNA)
where:
Base-Base interactions energy: -130.874
where: short stacking energy: -69.851
Base-Backbone interact. energy: -0.679
local terms energy: -73.660702
where:
bonds (distance) C4'-P energy: -11.550
bonds (distance) P-C4' energy: -17.585
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -10.051
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: 7, replica: 1
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -106.925550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.925550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.925550 (E_RNA)
where:
Base-Base interactions energy: -41.363
where: short stacking energy: -41.363
Base-Backbone interact. energy: -0.074
local terms energy: -65.488265
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -17.238
flat angles C4'-P-C4' energy: -12.675
flat angles P-C4'-P energy: -7.345
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: 8, replica: 3
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -97.722107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.722107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.722107 (E_RNA)
where:
Base-Base interactions energy: -41.164
where: short stacking energy: -32.111
Base-Backbone interact. energy: 0.067
local terms energy: -56.625855
where:
bonds (distance) C4'-P energy: -18.747
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -12.270
flat angles P-C4'-P energy: -7.073
tors. eta vs tors. theta energy: -3.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -103.283277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.283277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.283277 (E_RNA)
where:
Base-Base interactions energy: -36.658
where: short stacking energy: -25.779
Base-Backbone interact. energy: -0.294
local terms energy: -66.331296
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -20.208
flat angles C4'-P-C4' energy: -17.846
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -1.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -82.555032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.555032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.555032 (E_RNA)
where:
Base-Base interactions energy: -35.532
where: short stacking energy: -24.567
Base-Backbone interact. energy: -0.170
local terms energy: -46.853520
where:
bonds (distance) C4'-P energy: -6.966
bonds (distance) P-C4' energy: -18.474
flat angles C4'-P-C4' energy: -13.291
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: 0.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -266.226468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.226468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.226468 (E_RNA)
where:
Base-Base interactions energy: -173.176
where: short stacking energy: -80.943
Base-Backbone interact. energy: -0.033
local terms energy: -93.017342
where:
bonds (distance) C4'-P energy: -18.321
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -20.117
flat angles P-C4'-P energy: -13.996
tors. eta vs tors. theta energy: -24.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -259.171412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.171412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.171412 (E_RNA)
where:
Base-Base interactions energy: -175.244
where: short stacking energy: -86.192
Base-Backbone interact. energy: -0.103
local terms energy: -83.824574
where:
bonds (distance) C4'-P energy: -15.474
bonds (distance) P-C4' energy: -18.494
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -8.495
tors. eta vs tors. theta energy: -26.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -242.862614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.862614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.862614 (E_RNA)
where:
Base-Base interactions energy: -153.033
where: short stacking energy: -64.149
Base-Backbone interact. energy: 0.005
local terms energy: -89.834921
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -19.678
flat angles C4'-P-C4' energy: -20.045
flat angles P-C4'-P energy: -11.388
tors. eta vs tors. theta energy: -21.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -239.892426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.892426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.892426 (E_RNA)
where:
Base-Base interactions energy: -154.723
where: short stacking energy: -68.491
Base-Backbone interact. energy: 0.373
local terms energy: -85.543047
where:
bonds (distance) C4'-P energy: -19.067
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -18.055
flat angles P-C4'-P energy: -13.824
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: 5, replica: 6
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -237.669717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.669717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.669717 (E_RNA)
where:
Base-Base interactions energy: -145.183
where: short stacking energy: -65.319
Base-Backbone interact. energy: -0.051
local terms energy: -92.435996
where:
bonds (distance) C4'-P energy: -18.429
bonds (distance) P-C4' energy: -17.963
flat angles C4'-P-C4' energy: -17.494
flat angles P-C4'-P energy: -12.879
tors. eta vs tors. theta energy: -25.672
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: 5
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -205.213485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.213485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.213485 (E_RNA)
where:
Base-Base interactions energy: -133.356
where: short stacking energy: -56.094
Base-Backbone interact. energy: -0.080
local terms energy: -71.777753
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -10.147
tors. eta vs tors. theta energy: -18.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -122.504479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.504479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.504479 (E_RNA)
where:
Base-Base interactions energy: -60.017
where: short stacking energy: -30.780
Base-Backbone interact. energy: 0.139
local terms energy: -62.626413
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -18.791
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -4.662
tors. eta vs tors. theta energy: -8.814
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: 197
Temperature: 1.250000
Total energy: -104.200378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.200378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.200378 (E_RNA)
where:
Base-Base interactions energy: -39.160
where: short stacking energy: -34.047
Base-Backbone interact. energy: -0.153
local terms energy: -64.888161
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -4.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -96.872570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.872570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.872570 (E_RNA)
where:
Base-Base interactions energy: -38.128
where: short stacking energy: -38.128
Base-Backbone interact. energy: -0.049
local terms energy: -58.695764
where:
bonds (distance) C4'-P energy: -10.466
bonds (distance) P-C4' energy: -18.892
flat angles C4'-P-C4' energy: -13.107
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -6.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -88.284684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.284684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.284684 (E_RNA)
where:
Base-Base interactions energy: -29.055
where: short stacking energy: -32.685
Base-Backbone interact. energy: -0.160
local terms energy: -59.069464
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -17.356
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -4.416
tors. eta vs tors. theta energy: -9.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -263.721123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.721123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.721123 (E_RNA)
where:
Base-Base interactions energy: -180.599
where: short stacking energy: -86.340
Base-Backbone interact. energy: -0.012
local terms energy: -83.110849
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -13.702
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -10.526
tors. eta vs tors. theta energy: -25.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -250.248208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.248208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.248208 (E_RNA)
where:
Base-Base interactions energy: -160.934
where: short stacking energy: -77.329
Base-Backbone interact. energy: -0.741
local terms energy: -88.573460
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -18.136
flat angles C4'-P-C4' energy: -18.622
flat angles P-C4'-P energy: -13.224
tors. eta vs tors. theta energy: -21.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -250.861749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.861749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.861749 (E_RNA)
where:
Base-Base interactions energy: -157.959
where: short stacking energy: -67.635
Base-Backbone interact. energy: -0.037
local terms energy: -92.865343
where:
bonds (distance) C4'-P energy: -16.980
bonds (distance) P-C4' energy: -19.678
flat angles C4'-P-C4' energy: -19.278
flat angles P-C4'-P energy: -12.640
tors. eta vs tors. theta energy: -24.289
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: 9
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -252.502979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.502979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.502979 (E_RNA)
where:
Base-Base interactions energy: -171.267
where: short stacking energy: -83.112
Base-Backbone interact. energy: -0.036
local terms energy: -81.200636
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -9.841
flat angles C4'-P-C4' energy: -18.899
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -27.512
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: 198
Temperature: 1.100000
Total energy: -229.357022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.357022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.357022 (E_RNA)
where:
Base-Base interactions energy: -149.671
where: short stacking energy: -61.727
Base-Backbone interact. energy: -0.715
local terms energy: -78.971391
where:
bonds (distance) C4'-P energy: -12.158
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -19.001
flat angles P-C4'-P energy: -12.178
tors. eta vs tors. theta energy: -18.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -236.802412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.802412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.802412 (E_RNA)
where:
Base-Base interactions energy: -159.312
where: short stacking energy: -80.911
Base-Backbone interact. energy: -0.104
local terms energy: -77.386570
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -26.649
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: 1
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -125.970295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.970295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.970295 (E_RNA)
where:
Base-Base interactions energy: -61.116
where: short stacking energy: -28.397
Base-Backbone interact. energy: -0.147
local terms energy: -64.707123
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -16.534
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: -7.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -92.964157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.964157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.964157 (E_RNA)
where:
Base-Base interactions energy: -35.023
where: short stacking energy: -35.023
Base-Backbone interact. energy: -0.562
local terms energy: -57.378762
where:
bonds (distance) C4'-P energy: -11.249
bonds (distance) P-C4' energy: -17.633
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: -7.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -91.612017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.612017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.612017 (E_RNA)
where:
Base-Base interactions energy: -34.643
where: short stacking energy: -29.298
Base-Backbone interact. energy: -0.491
local terms energy: -56.478366
where:
bonds (distance) C4'-P energy: -13.095
bonds (distance) P-C4' energy: -13.816
flat angles C4'-P-C4' energy: -10.648
flat angles P-C4'-P energy: -11.175
tors. eta vs tors. theta energy: -7.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -81.308222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.308222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.308222 (E_RNA)
where:
Base-Base interactions energy: -28.979
where: short stacking energy: -28.979
Base-Backbone interact. energy: -0.293
local terms energy: -52.036328
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -10.520
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -8.486
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: 1, replica: 10
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -266.454655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.454655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.454655 (E_RNA)
where:
Base-Base interactions energy: -174.397
where: short stacking energy: -80.069
Base-Backbone interact. energy: -0.003
local terms energy: -92.055557
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -19.457
flat angles C4'-P-C4' energy: -18.970
flat angles P-C4'-P energy: -13.998
tors. eta vs tors. theta energy: -24.933
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: 199
Temperature: 0.950000
Total energy: -249.346661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.346661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.346661 (E_RNA)
where:
Base-Base interactions energy: -167.706
where: short stacking energy: -73.598
Base-Backbone interact. energy: -0.351
local terms energy: -81.290240
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -14.396
tors. eta vs tors. theta energy: -22.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -244.023240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.023240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.023240 (E_RNA)
where:
Base-Base interactions energy: -167.030
where: short stacking energy: -74.268
Base-Backbone interact. energy: 0.181
local terms energy: -77.174278
where:
bonds (distance) C4'-P energy: -13.757
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -14.931
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: 199
Temperature: 1.050000
Total energy: -254.394848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.394848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.394848 (E_RNA)
where:
Base-Base interactions energy: -170.457
where: short stacking energy: -81.399
Base-Backbone interact. energy: -0.045
local terms energy: -83.892341
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -19.355
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -26.641
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: 199
Temperature: 1.100000
Total energy: -239.774332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.774332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.774332 (E_RNA)
where:
Base-Base interactions energy: -155.930
where: short stacking energy: -69.514
Base-Backbone interact. energy: -0.082
local terms energy: -83.762006
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -17.448
flat angles C4'-P-C4' energy: -16.960
flat angles P-C4'-P energy: -14.301
tors. eta vs tors. theta energy: -22.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -149.766345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.766345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.766345 (E_RNA)
where:
Base-Base interactions energy: -85.542
where: short stacking energy: -56.665
Base-Backbone interact. energy: -0.679
local terms energy: -63.545532
where:
bonds (distance) C4'-P energy: -17.926
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -3.542
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: 7, replica: 6
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -212.732118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.732118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.732118 (E_RNA)
where:
Base-Base interactions energy: -134.862
where: short stacking energy: -64.794
Base-Backbone interact. energy: -0.222
local terms energy: -77.648065
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -17.085
flat angles C4'-P-C4' energy: -10.575
flat angles P-C4'-P energy: -11.413
tors. eta vs tors. theta energy: -25.122
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: 8
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -95.283318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.283318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.283318 (E_RNA)
where:
Base-Base interactions energy: -28.420
where: short stacking energy: -24.887
Base-Backbone interact. energy: -0.068
local terms energy: -66.794921
where:
bonds (distance) C4'-P energy: -10.406
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -9.185
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: 9, replica: 3
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -98.111257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.111257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.111257 (E_RNA)
where:
Base-Base interactions energy: -42.496
where: short stacking energy: -32.069
Base-Backbone interact. energy: -0.019
local terms energy: -55.596506
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -15.779
flat angles C4'-P-C4' energy: -16.127
flat angles P-C4'-P energy: -3.993
tors. eta vs tors. theta energy: -5.118
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: 199
Temperature: 1.350000
Total energy: -88.027401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.027401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.027401 (E_RNA)
where:
Base-Base interactions energy: -31.053
where: short stacking energy: -25.058
Base-Backbone interact. energy: -0.214
local terms energy: -56.760569
where:
bonds (distance) C4'-P energy: -9.511
bonds (distance) P-C4' energy: -18.295
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -7.022
tors. eta vs tors. theta energy: -6.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -258.139538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.139538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.139538 (E_RNA)
where:
Base-Base interactions energy: -174.651
where: short stacking energy: -77.698
Base-Backbone interact. energy: -0.011
local terms energy: -83.477305
where:
bonds (distance) C4'-P energy: -13.951
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -17.899
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -25.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -256.150878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.150878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.150878 (E_RNA)
where:
Base-Base interactions energy: -169.985
where: short stacking energy: -83.076
Base-Backbone interact. energy: 0.320
local terms energy: -86.486113
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -19.133
flat angles C4'-P-C4' energy: -17.230
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -24.792
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: 5
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -256.007768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.007768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.007768 (E_RNA)
where:
Base-Base interactions energy: -166.378
where: short stacking energy: -79.236
Base-Backbone interact. energy: -0.027
local terms energy: -89.603302
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -18.192
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -14.510
tors. eta vs tors. theta energy: -26.275
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: 2
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -250.714986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.714986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.714986 (E_RNA)
where:
Base-Base interactions energy: -165.577
where: short stacking energy: -88.461
Base-Backbone interact. energy: -0.001
local terms energy: -85.136752
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -18.538
flat angles P-C4'-P energy: -13.917
tors. eta vs tors. theta energy: -23.634
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: 200
Temperature: 1.100000
Total energy: -236.217048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.217048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.217048 (E_RNA)
where:
Base-Base interactions energy: -156.717
where: short stacking energy: -69.678
Base-Backbone interact. energy: -0.028
local terms energy: -79.471815
where:
bonds (distance) C4'-P energy: -17.618
bonds (distance) P-C4' energy: -15.904
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -12.355
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: 6, replica: 1
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -140.693052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.693052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.693052 (E_RNA)
where:
Base-Base interactions energy: -76.648
where: short stacking energy: -33.819
Base-Backbone interact. energy: -0.291
local terms energy: -63.753736
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -12.424
flat angles P-C4'-P energy: -8.793
tors. eta vs tors. theta energy: -9.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -207.147219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.147219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.147219 (E_RNA)
where:
Base-Base interactions energy: -131.049
where: short stacking energy: -54.590
Base-Backbone interact. energy: -0.005
local terms energy: -76.093141
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -8.171
tors. eta vs tors. theta energy: -20.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -89.219959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.219959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.219959 (E_RNA)
where:
Base-Base interactions energy: -31.824
where: short stacking energy: -29.031
Base-Backbone interact. energy: 1.027
local terms energy: -58.423150
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -19.851
flat angles C4'-P-C4' energy: -10.413
flat angles P-C4'-P energy: -11.513
tors. eta vs tors. theta energy: -1.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -110.179547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.179547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.179547 (E_RNA)
where:
Base-Base interactions energy: -47.321
where: short stacking energy: -36.110
Base-Backbone interact. energy: -0.113
local terms energy: -62.745369
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -17.828
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -3.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -88.791811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.791811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.791811 (E_RNA)
where:
Base-Base interactions energy: -27.470
where: short stacking energy: -27.470
Base-Backbone interact. energy: -0.032
local terms energy: -61.289671
where:
bonds (distance) C4'-P energy: -12.448
bonds (distance) P-C4' energy: -17.258
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -3.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -249.818486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.818486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.818486 (E_RNA)
where:
Base-Base interactions energy: -160.666
where: short stacking energy: -75.579
Base-Backbone interact. energy: -0.041
local terms energy: -89.111473
where:
bonds (distance) C4'-P energy: -16.972
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -17.794
flat angles P-C4'-P energy: -15.137
tors. eta vs tors. theta energy: -22.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -259.510435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.510435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.510435 (E_RNA)
where:
Base-Base interactions energy: -173.636
where: short stacking energy: -81.007
Base-Backbone interact. energy: -0.009
local terms energy: -85.865756
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -13.957
flat angles C4'-P-C4' energy: -17.340
flat angles P-C4'-P energy: -15.228
tors. eta vs tors. theta energy: -25.683
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: 201
Temperature: 1.000000
Total energy: -261.242904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.242904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.242904 (E_RNA)
where:
Base-Base interactions energy: -168.284
where: short stacking energy: -78.022
Base-Backbone interact. energy: -0.008
local terms energy: -92.951520
where:
bonds (distance) C4'-P energy: -19.336
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -17.710
flat angles P-C4'-P energy: -13.671
tors. eta vs tors. theta energy: -26.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -249.724783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.724783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.724783 (E_RNA)
where:
Base-Base interactions energy: -166.786
where: short stacking energy: -69.869
Base-Backbone interact. energy: -0.218
local terms energy: -82.720514
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -14.135
tors. eta vs tors. theta energy: -21.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -231.011244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.011244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.011244 (E_RNA)
where:
Base-Base interactions energy: -156.774
where: short stacking energy: -73.319
Base-Backbone interact. energy: -0.426
local terms energy: -73.811501
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -10.940
flat angles C4'-P-C4' energy: -19.046
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: -22.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -209.959038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.959038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.959038 (E_RNA)
where:
Base-Base interactions energy: -139.930
where: short stacking energy: -60.513
Base-Backbone interact. energy: -0.007
local terms energy: -70.021806
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -16.793
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: -15.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -93.411845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.411845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.411845 (E_RNA)
where:
Base-Base interactions energy: -32.062
where: short stacking energy: -31.904
Base-Backbone interact. energy: -0.197
local terms energy: -61.152459
where:
bonds (distance) C4'-P energy: -17.941
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -12.202
tors. eta vs tors. theta energy: -1.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -92.867518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.867518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.867518 (E_RNA)
where:
Base-Base interactions energy: -28.438
where: short stacking energy: -23.986
Base-Backbone interact. energy: -0.611
local terms energy: -63.818698
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -10.913
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: 9, replica: 8
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -92.163496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.163496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.163496 (E_RNA)
where:
Base-Base interactions energy: -35.644
where: short stacking energy: -23.305
Base-Backbone interact. energy: -0.149
local terms energy: -56.370605
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -3.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -78.644509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.644509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.644509 (E_RNA)
where:
Base-Base interactions energy: -24.640
where: short stacking energy: -24.640
Base-Backbone interact. energy: -0.193
local terms energy: -53.811759
where:
bonds (distance) C4'-P energy: -9.428
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -7.471
tors. eta vs tors. theta energy: -1.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -257.535793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.535793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.535793 (E_RNA)
where:
Base-Base interactions energy: -167.679
where: short stacking energy: -82.960
Base-Backbone interact. energy: 0.369
local terms energy: -90.225987
where:
bonds (distance) C4'-P energy: -18.168
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -17.701
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -25.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -259.590380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.590380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.590380 (E_RNA)
where:
Base-Base interactions energy: -164.866
where: short stacking energy: -80.273
Base-Backbone interact. energy: -0.043
local terms energy: -94.681624
where:
bonds (distance) C4'-P energy: -17.565
bonds (distance) P-C4' energy: -19.098
flat angles C4'-P-C4' energy: -18.390
flat angles P-C4'-P energy: -14.424
tors. eta vs tors. theta energy: -25.204
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: 3, replica: 2
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -246.041747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.041747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.041747 (E_RNA)
where:
Base-Base interactions energy: -166.287
where: short stacking energy: -84.309
Base-Backbone interact. energy: -0.219
local terms energy: -79.536034
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -14.000
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -14.646
tors. eta vs tors. theta energy: -23.017
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: 4
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -245.752443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.752443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.752443 (E_RNA)
where:
Base-Base interactions energy: -164.224
where: short stacking energy: -67.424
Base-Backbone interact. energy: 0.314
local terms energy: -81.842827
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -18.070
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -14.316
tors. eta vs tors. theta energy: -17.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -238.653047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.653047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.653047 (E_RNA)
where:
Base-Base interactions energy: -156.727
where: short stacking energy: -67.641
Base-Backbone interact. energy: -0.160
local terms energy: -81.765386
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -14.549
flat angles C4'-P-C4' energy: -19.013
flat angles P-C4'-P energy: -7.849
tors. eta vs tors. theta energy: -23.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -209.762090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.762090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.762090 (E_RNA)
where:
Base-Base interactions energy: -138.841
where: short stacking energy: -52.767
Base-Backbone interact. energy: -0.169
local terms energy: -70.751334
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -15.776
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -13.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -105.843942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.843942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.843942 (E_RNA)
where:
Base-Base interactions energy: -52.732
where: short stacking energy: -41.605
Base-Backbone interact. energy: -0.308
local terms energy: -52.803943
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -7.401
tors. eta vs tors. theta energy: -9.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -113.149140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.149140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.149140 (E_RNA)
where:
Base-Base interactions energy: -36.670
where: short stacking energy: -36.670
Base-Backbone interact. energy: -0.117
local terms energy: -76.362511
where:
bonds (distance) C4'-P energy: -16.950
bonds (distance) P-C4' energy: -16.859
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -12.049
tors. eta vs tors. theta energy: -13.409
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: 9, replica: 3
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -89.926427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.926427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.926427 (E_RNA)
where:
Base-Base interactions energy: -34.558
where: short stacking energy: -28.737
Base-Backbone interact. energy: 0.541
local terms energy: -55.910180
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -6.219
tors. eta vs tors. theta energy: -6.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -87.139587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.139587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.139587 (E_RNA)
where:
Base-Base interactions energy: -46.551
where: short stacking energy: -28.815
Base-Backbone interact. energy: -0.199
local terms energy: -40.389030
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -17.659
flat angles C4'-P-C4' energy: -5.421
flat angles P-C4'-P energy: -3.437
tors. eta vs tors. theta energy: 1.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -258.069372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.069372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.069372 (E_RNA)
where:
Base-Base interactions energy: -165.435
where: short stacking energy: -80.237
Base-Backbone interact. energy: 1.465
local terms energy: -94.099543
where:
bonds (distance) C4'-P energy: -18.470
bonds (distance) P-C4' energy: -17.605
flat angles C4'-P-C4' energy: -20.832
flat angles P-C4'-P energy: -12.491
tors. eta vs tors. theta energy: -24.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -253.084571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.084571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.084571 (E_RNA)
where:
Base-Base interactions energy: -162.067
where: short stacking energy: -83.414
Base-Backbone interact. energy: -0.403
local terms energy: -90.614579
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -19.887
flat angles C4'-P-C4' energy: -17.959
flat angles P-C4'-P energy: -12.778
tors. eta vs tors. theta energy: -24.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -256.877602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.877602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.877602 (E_RNA)
where:
Base-Base interactions energy: -164.749
where: short stacking energy: -77.744
Base-Backbone interact. energy: -0.673
local terms energy: -91.455439
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -19.132
flat angles C4'-P-C4' energy: -17.940
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: -27.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -248.188032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.188032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.188032 (E_RNA)
where:
Base-Base interactions energy: -162.846
where: short stacking energy: -78.365
Base-Backbone interact. energy: -0.297
local terms energy: -85.044867
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -17.854
flat angles P-C4'-P energy: -12.194
tors. eta vs tors. theta energy: -22.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -221.090637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.090637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.090637 (E_RNA)
where:
Base-Base interactions energy: -139.327
where: short stacking energy: -61.837
Base-Backbone interact. energy: -0.038
local terms energy: -81.725235
where:
bonds (distance) C4'-P energy: -15.691
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -12.124
tors. eta vs tors. theta energy: -21.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -226.607212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.607212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.607212 (E_RNA)
where:
Base-Base interactions energy: -156.509
where: short stacking energy: -70.550
Base-Backbone interact. energy: 0.284
local terms energy: -70.382149
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -11.478
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -20.708
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: 7, replica: 7
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -103.967649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.967649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.967649 (E_RNA)
where:
Base-Base interactions energy: -45.865
where: short stacking energy: -34.338
Base-Backbone interact. energy: -0.089
local terms energy: -58.013167
where:
bonds (distance) C4'-P energy: -16.247
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -9.932
tors. eta vs tors. theta energy: -4.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -89.057803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.057803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.057803 (E_RNA)
where:
Base-Base interactions energy: -31.631
where: short stacking energy: -31.631
Base-Backbone interact. energy: -0.018
local terms energy: -57.408858
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -16.441
flat angles C4'-P-C4' energy: -12.681
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: -4.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -92.510354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.510354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.510354 (E_RNA)
where:
Base-Base interactions energy: -27.809
where: short stacking energy: -27.809
Base-Backbone interact. energy: -0.041
local terms energy: -64.660922
where:
bonds (distance) C4'-P energy: -17.755
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -9.603
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -8.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -86.220514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.220514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.220514 (E_RNA)
where:
Base-Base interactions energy: -28.412
where: short stacking energy: -23.058
Base-Backbone interact. energy: -0.753
local terms energy: -57.055255
where:
bonds (distance) C4'-P energy: -16.972
bonds (distance) P-C4' energy: -14.519
flat angles C4'-P-C4' energy: -17.522
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: 0.855
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: 5
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -255.072961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.072961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.072961 (E_RNA)
where:
Base-Base interactions energy: -163.069
where: short stacking energy: -79.654
Base-Backbone interact. energy: -0.049
local terms energy: -91.955108
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -16.655
flat angles P-C4'-P energy: -13.790
tors. eta vs tors. theta energy: -25.597
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: 10
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -249.691195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.691195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.691195 (E_RNA)
where:
Base-Base interactions energy: -160.029
where: short stacking energy: -67.396
Base-Backbone interact. energy: -0.010
local terms energy: -89.652465
where:
bonds (distance) C4'-P energy: -18.550
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -19.171
flat angles P-C4'-P energy: -12.813
tors. eta vs tors. theta energy: -22.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -248.507745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.507745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.507745 (E_RNA)
where:
Base-Base interactions energy: -160.534
where: short stacking energy: -83.540
Base-Backbone interact. energy: 0.068
local terms energy: -88.041737
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -19.047
flat angles C4'-P-C4' energy: -19.339
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -25.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -249.580934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.580934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.580934 (E_RNA)
where:
Base-Base interactions energy: -169.404
where: short stacking energy: -79.764
Base-Backbone interact. energy: -0.126
local terms energy: -80.051161
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: -25.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -246.522193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.522193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.522193 (E_RNA)
where:
Base-Base interactions energy: -164.318
where: short stacking energy: -80.055
Base-Backbone interact. energy: -0.045
local terms energy: -82.159379
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -12.456
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -14.521
tors. eta vs tors. theta energy: -24.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -207.628980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.628980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.628980 (E_RNA)
where:
Base-Base interactions energy: -129.987
where: short stacking energy: -60.598
Base-Backbone interact. energy: -0.255
local terms energy: -77.386495
where:
bonds (distance) C4'-P energy: -18.206
bonds (distance) P-C4' energy: -15.901
flat angles C4'-P-C4' energy: -16.152
flat angles P-C4'-P energy: -10.341
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: 7, replica: 3
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -91.507601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.507601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.507601 (E_RNA)
where:
Base-Base interactions energy: -40.025
where: short stacking energy: -30.676
Base-Backbone interact. energy: -0.099
local terms energy: -51.383819
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -18.330
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -7.208
tors. eta vs tors. theta energy: 0.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -93.317536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.317536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.317536 (E_RNA)
where:
Base-Base interactions energy: -31.717
where: short stacking energy: -28.564
Base-Backbone interact. energy: -0.125
local terms energy: -61.475483
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -19.008
flat angles C4'-P-C4' energy: -13.413
flat angles P-C4'-P energy: -9.719
tors. eta vs tors. theta energy: -4.186
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: 8
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -93.688933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.688933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.688933 (E_RNA)
where:
Base-Base interactions energy: -39.590
where: short stacking energy: -26.987
Base-Backbone interact. energy: -0.210
local terms energy: -53.888653
where:
bonds (distance) C4'-P energy: -17.859
bonds (distance) P-C4' energy: -14.781
flat angles C4'-P-C4' energy: -11.583
flat angles P-C4'-P energy: -5.867
tors. eta vs tors. theta energy: -3.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -88.380369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.380369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.380369 (E_RNA)
where:
Base-Base interactions energy: -30.568
where: short stacking energy: -28.923
Base-Backbone interact. energy: -0.072
local terms energy: -57.739979
where:
bonds (distance) C4'-P energy: -10.128
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -9.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -263.276065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.276065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.276065 (E_RNA)
where:
Base-Base interactions energy: -175.825
where: short stacking energy: -86.597
Base-Backbone interact. energy: -0.787
local terms energy: -86.664549
where:
bonds (distance) C4'-P energy: -18.516
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -17.977
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -28.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -262.165080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.165080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.165080 (E_RNA)
where:
Base-Base interactions energy: -169.637
where: short stacking energy: -75.845
Base-Backbone interact. energy: -0.067
local terms energy: -92.460763
where:
bonds (distance) C4'-P energy: -19.912
bonds (distance) P-C4' energy: -18.632
flat angles C4'-P-C4' energy: -18.110
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: -24.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -256.870816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.870816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.870816 (E_RNA)
where:
Base-Base interactions energy: -175.294
where: short stacking energy: -88.056
Base-Backbone interact. energy: -0.006
local terms energy: -81.570657
where:
bonds (distance) C4'-P energy: -18.251
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -17.409
flat angles P-C4'-P energy: -3.730
tors. eta vs tors. theta energy: -25.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -250.606446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.606446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.606446 (E_RNA)
where:
Base-Base interactions energy: -161.322
where: short stacking energy: -78.169
Base-Backbone interact. energy: -0.061
local terms energy: -89.224198
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -14.105
tors. eta vs tors. theta energy: -25.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -224.590957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.590957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.590957 (E_RNA)
where:
Base-Base interactions energy: -142.127
where: short stacking energy: -62.479
Base-Backbone interact. energy: -0.170
local terms energy: -82.294008
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -18.460
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -21.145
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: 4
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -200.325024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.325024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.325024 (E_RNA)
where:
Base-Base interactions energy: -136.150
where: short stacking energy: -66.270
Base-Backbone interact. energy: -0.090
local terms energy: -64.085239
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -9.900
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -12.026
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: 7, replica: 3
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -102.216801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.216801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.216801 (E_RNA)
where:
Base-Base interactions energy: -45.159
where: short stacking energy: -35.234
Base-Backbone interact. energy: -0.154
local terms energy: -56.904219
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -8.011
tors. eta vs tors. theta energy: -4.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -95.698458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.698458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.698458 (E_RNA)
where:
Base-Base interactions energy: -38.270
where: short stacking energy: -27.008
Base-Backbone interact. energy: -0.259
local terms energy: -57.170065
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -11.083
flat angles P-C4'-P energy: -10.210
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: 9, replica: 7
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -92.428319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.428319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.428319 (E_RNA)
where:
Base-Base interactions energy: -33.409
where: short stacking energy: -29.411
Base-Backbone interact. energy: -0.083
local terms energy: -58.936729
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -13.049
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: 1
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -89.071230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.071230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.071230 (E_RNA)
where:
Base-Base interactions energy: -30.980
where: short stacking energy: -29.203
Base-Backbone interact. energy: -0.205
local terms energy: -57.885792
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -17.422
flat angles P-C4'-P energy: -11.800
tors. eta vs tors. theta energy: -2.481
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: 1, replica: 5
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -267.384065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.384065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.384065 (E_RNA)
where:
Base-Base interactions energy: -166.818
where: short stacking energy: -82.661
Base-Backbone interact. energy: -0.102
local terms energy: -100.464604
where:
bonds (distance) C4'-P energy: -19.352
bonds (distance) P-C4' energy: -20.874
flat angles C4'-P-C4' energy: -21.662
flat angles P-C4'-P energy: -11.439
tors. eta vs tors. theta energy: -27.137
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: 10
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -257.637489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.637489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.637489 (E_RNA)
where:
Base-Base interactions energy: -166.932
where: short stacking energy: -83.790
Base-Backbone interact. energy: -0.122
local terms energy: -90.583800
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -19.295
flat angles C4'-P-C4' energy: -18.593
flat angles P-C4'-P energy: -13.790
tors. eta vs tors. theta energy: -24.789
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: 6
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -255.501968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.501968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.501968 (E_RNA)
where:
Base-Base interactions energy: -169.762
where: short stacking energy: -82.952
Base-Backbone interact. energy: -0.007
local terms energy: -85.733542
where:
bonds (distance) C4'-P energy: -18.480
bonds (distance) P-C4' energy: -12.472
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -25.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -241.419056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.419056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.419056 (E_RNA)
where:
Base-Base interactions energy: -164.287
where: short stacking energy: -70.061
Base-Backbone interact. energy: -0.002
local terms energy: -77.130658
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -12.658
flat angles C4'-P-C4' energy: -16.985
flat angles P-C4'-P energy: -9.579
tors. eta vs tors. theta energy: -22.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -237.890944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.890944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.890944 (E_RNA)
where:
Base-Base interactions energy: -163.792
where: short stacking energy: -73.105
Base-Backbone interact. energy: 0.588
local terms energy: -74.687064
where:
bonds (distance) C4'-P energy: -7.010
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -13.043
tors. eta vs tors. theta energy: -22.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -221.852773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.852773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.852773 (E_RNA)
where:
Base-Base interactions energy: -144.074
where: short stacking energy: -63.662
Base-Backbone interact. energy: -0.097
local terms energy: -77.682388
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -10.841
tors. eta vs tors. theta energy: -20.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -95.053019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.053019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.053019 (E_RNA)
where:
Base-Base interactions energy: -39.519
where: short stacking energy: -37.164
Base-Backbone interact. energy: -0.050
local terms energy: -55.484174
where:
bonds (distance) C4'-P energy: -20.081
bonds (distance) P-C4' energy: -7.203
flat angles C4'-P-C4' energy: -11.679
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: -5.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -100.624717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.624717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.624717 (E_RNA)
where:
Base-Base interactions energy: -38.122
where: short stacking energy: -29.581
Base-Backbone interact. energy: -1.479
local terms energy: -61.024270
where:
bonds (distance) C4'-P energy: -17.729
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -12.433
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: -7.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -91.827801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.827801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.827801 (E_RNA)
where:
Base-Base interactions energy: -41.709
where: short stacking energy: -27.375
Base-Backbone interact. energy: -0.243
local terms energy: -49.875791
where:
bonds (distance) C4'-P energy: -14.415
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -7.537
tors. eta vs tors. theta energy: 1.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -85.892342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.892342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.892342 (E_RNA)
where:
Base-Base interactions energy: -31.335
where: short stacking energy: -31.335
Base-Backbone interact. energy: -0.102
local terms energy: -54.455757
where:
bonds (distance) C4'-P energy: -11.834
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -8.636
flat angles P-C4'-P energy: -10.345
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: 1, replica: 5
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -257.785693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.785693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.785693 (E_RNA)
where:
Base-Base interactions energy: -168.526
where: short stacking energy: -78.663
Base-Backbone interact. energy: -0.215
local terms energy: -89.044385
where:
bonds (distance) C4'-P energy: -16.524
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -20.310
flat angles P-C4'-P energy: -10.650
tors. eta vs tors. theta energy: -24.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -256.105196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.105196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.105196 (E_RNA)
where:
Base-Base interactions energy: -166.320
where: short stacking energy: -90.970
Base-Backbone interact. energy: -0.092
local terms energy: -89.693608
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -17.920
flat angles C4'-P-C4' energy: -19.732
flat angles P-C4'-P energy: -13.059
tors. eta vs tors. theta energy: -25.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -251.884974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.884974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.884974 (E_RNA)
where:
Base-Base interactions energy: -169.175
where: short stacking energy: -86.004
Base-Backbone interact. energy: -0.003
local terms energy: -82.706829
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -15.955
flat angles P-C4'-P energy: -13.823
tors. eta vs tors. theta energy: -26.435
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: 4
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -243.980044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.980044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.980044 (E_RNA)
where:
Base-Base interactions energy: -162.889
where: short stacking energy: -74.132
Base-Backbone interact. energy: -0.001
local terms energy: -81.090459
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -24.676
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: 9
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -253.480789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.480789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.480789 (E_RNA)
where:
Base-Base interactions energy: -163.274
where: short stacking energy: -85.490
Base-Backbone interact. energy: -0.017
local terms energy: -90.188955
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -15.879
flat angles C4'-P-C4' energy: -19.106
flat angles P-C4'-P energy: -13.415
tors. eta vs tors. theta energy: -27.106
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: 2
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -219.449875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.449875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.449875 (E_RNA)
where:
Base-Base interactions energy: -137.232
where: short stacking energy: -62.290
Base-Backbone interact. energy: -0.112
local terms energy: -82.105830
where:
bonds (distance) C4'-P energy: -17.936
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -13.849
flat angles P-C4'-P energy: -12.915
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: 7, replica: 8
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -112.919821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.919821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.919821 (E_RNA)
where:
Base-Base interactions energy: -56.127
where: short stacking energy: -24.803
Base-Backbone interact. energy: -0.206
local terms energy: -56.587541
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -11.361
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: -3.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -99.920430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.920430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.920430 (E_RNA)
where:
Base-Base interactions energy: -48.722
where: short stacking energy: -27.939
Base-Backbone interact. energy: -0.317
local terms energy: -50.882124
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -14.745
flat angles C4'-P-C4' energy: -10.979
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: -2.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -98.170851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.170851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.170851 (E_RNA)
where:
Base-Base interactions energy: -46.451
where: short stacking energy: -34.456
Base-Backbone interact. energy: -0.483
local terms energy: -51.236959
where:
bonds (distance) C4'-P energy: -13.430
bonds (distance) P-C4' energy: -15.866
flat angles C4'-P-C4' energy: -10.374
flat angles P-C4'-P energy: -7.191
tors. eta vs tors. theta energy: -4.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -80.167105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.167105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.167105 (E_RNA)
where:
Base-Base interactions energy: -30.859
where: short stacking energy: -30.674
Base-Backbone interact. energy: -1.227
local terms energy: -48.081076
where:
bonds (distance) C4'-P energy: -10.612
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -5.272
tors. eta vs tors. theta energy: -4.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -262.768423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.768423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.768423 (E_RNA)
where:
Base-Base interactions energy: -169.820
where: short stacking energy: -86.853
Base-Backbone interact. energy: -0.009
local terms energy: -92.939806
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -18.945
flat angles C4'-P-C4' energy: -18.881
flat angles P-C4'-P energy: -14.395
tors. eta vs tors. theta energy: -24.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -268.665519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.665519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.665519 (E_RNA)
where:
Base-Base interactions energy: -178.333
where: short stacking energy: -85.929
Base-Backbone interact. energy: -0.616
local terms energy: -89.716400
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -16.965
tors. eta vs tors. theta energy: -26.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -252.088799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.088799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.088799 (E_RNA)
where:
Base-Base interactions energy: -160.766
where: short stacking energy: -86.171
Base-Backbone interact. energy: -0.009
local terms energy: -91.313715
where:
bonds (distance) C4'-P energy: -14.179
bonds (distance) P-C4' energy: -18.446
flat angles C4'-P-C4' energy: -19.920
flat angles P-C4'-P energy: -13.054
tors. eta vs tors. theta energy: -25.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -245.865055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.865055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.865055 (E_RNA)
where:
Base-Base interactions energy: -164.416
where: short stacking energy: -77.299
Base-Backbone interact. energy: -0.006
local terms energy: -81.443518
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -25.175
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: 2
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -216.826047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.826047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.826047 (E_RNA)
where:
Base-Base interactions energy: -141.660
where: short stacking energy: -63.488
Base-Backbone interact. energy: -0.207
local terms energy: -74.959436
where:
bonds (distance) C4'-P energy: -16.095
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -17.179
flat angles P-C4'-P energy: -6.007
tors. eta vs tors. theta energy: -17.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -239.265275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.265275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.265275 (E_RNA)
where:
Base-Base interactions energy: -163.193
where: short stacking energy: -76.875
Base-Backbone interact. energy: -0.035
local terms energy: -76.037220
where:
bonds (distance) C4'-P energy: -11.275
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -12.037
flat angles P-C4'-P energy: -14.415
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: 7, replica: 1
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -89.323882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.323882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.323882 (E_RNA)
where:
Base-Base interactions energy: -30.221
where: short stacking energy: -28.178
Base-Backbone interact. energy: -0.377
local terms energy: -58.726302
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -19.228
flat angles C4'-P-C4' energy: -10.563
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -2.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -114.819989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.819989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.819989 (E_RNA)
where:
Base-Base interactions energy: -49.807
where: short stacking energy: -27.264
Base-Backbone interact. energy: -0.218
local terms energy: -64.795356
where:
bonds (distance) C4'-P energy: -19.602
bonds (distance) P-C4' energy: -17.846
flat angles C4'-P-C4' energy: -17.335
flat angles P-C4'-P energy: -8.004
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: 9, replica: 7
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -84.034222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.034222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.034222 (E_RNA)
where:
Base-Base interactions energy: -25.384
where: short stacking energy: -21.515
Base-Backbone interact. energy: -0.774
local terms energy: -57.875700
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -18.511
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -2.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -105.191639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.191639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.191639 (E_RNA)
where:
Base-Base interactions energy: -44.408
where: short stacking energy: -39.436
Base-Backbone interact. energy: 1.712
local terms energy: -62.495639
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -19.905
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -5.917
tors. eta vs tors. theta energy: -10.641
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: 10
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -261.865807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.865807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.865807 (E_RNA)
where:
Base-Base interactions energy: -171.747
where: short stacking energy: -76.564
Base-Backbone interact. energy: -0.007
local terms energy: -90.111835
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -18.685
flat angles C4'-P-C4' energy: -17.780
flat angles P-C4'-P energy: -12.664
tors. eta vs tors. theta energy: -23.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -264.933433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.933433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.933433 (E_RNA)
where:
Base-Base interactions energy: -171.457
where: short stacking energy: -77.913
Base-Backbone interact. energy: -0.115
local terms energy: -93.361472
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -19.972
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -14.583
tors. eta vs tors. theta energy: -25.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -245.240527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.240527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.240527 (E_RNA)
where:
Base-Base interactions energy: -159.202
where: short stacking energy: -80.829
Base-Backbone interact. energy: 0.790
local terms energy: -86.828532
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -20.245
flat angles C4'-P-C4' energy: -19.088
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -21.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -246.664738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.664738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.664738 (E_RNA)
where:
Base-Base interactions energy: -159.784
where: short stacking energy: -74.162
Base-Backbone interact. energy: -0.005
local terms energy: -86.875807
where:
bonds (distance) C4'-P energy: -19.103
bonds (distance) P-C4' energy: -17.017
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: -25.017
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: 2
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -244.367857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.367857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.367857 (E_RNA)
where:
Base-Base interactions energy: -156.851
where: short stacking energy: -78.292
Base-Backbone interact. energy: -0.066
local terms energy: -87.451330
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -19.194
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -25.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -233.750768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.750768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.750768 (E_RNA)
where:
Base-Base interactions energy: -157.525
where: short stacking energy: -75.495
Base-Backbone interact. energy: -0.607
local terms energy: -75.618432
where:
bonds (distance) C4'-P energy: -10.748
bonds (distance) P-C4' energy: -18.115
flat angles C4'-P-C4' energy: -12.393
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -23.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -95.382271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.382271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.382271 (E_RNA)
where:
Base-Base interactions energy: -36.399
where: short stacking energy: -23.026
Base-Backbone interact. energy: -0.054
local terms energy: -58.929984
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -18.473
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -6.901
tors. eta vs tors. theta energy: -8.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -90.827287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.827287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.827287 (E_RNA)
where:
Base-Base interactions energy: -40.742
where: short stacking energy: -22.076
Base-Backbone interact. energy: 0.031
local terms energy: -50.116200
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -3.839
tors. eta vs tors. theta energy: -2.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -114.227416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.227416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.227416 (E_RNA)
where:
Base-Base interactions energy: -55.755
where: short stacking energy: -30.266
Base-Backbone interact. energy: -0.402
local terms energy: -58.071098
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -19.074
flat angles C4'-P-C4' energy: -7.772
flat angles P-C4'-P energy: -10.445
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: 10, replica: 3
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -90.068666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.068666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.068666 (E_RNA)
where:
Base-Base interactions energy: -29.055
where: short stacking energy: -19.778
Base-Backbone interact. energy: -0.107
local terms energy: -60.907220
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -16.803
flat angles P-C4'-P energy: -5.929
tors. eta vs tors. theta energy: -3.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -265.645025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.645025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.645025 (E_RNA)
where:
Base-Base interactions energy: -176.339
where: short stacking energy: -79.814
Base-Backbone interact. energy: -0.052
local terms energy: -89.254110
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -19.467
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -12.551
tors. eta vs tors. theta energy: -26.394
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: 10
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -263.374628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.374628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.374628 (E_RNA)
where:
Base-Base interactions energy: -170.512
where: short stacking energy: -77.947
Base-Backbone interact. energy: -0.079
local terms energy: -92.783870
where:
bonds (distance) C4'-P energy: -18.334
bonds (distance) P-C4' energy: -18.847
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -13.196
tors. eta vs tors. theta energy: -25.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -244.188811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.188811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.188811 (E_RNA)
where:
Base-Base interactions energy: -169.561
where: short stacking energy: -80.145
Base-Backbone interact. energy: -0.028
local terms energy: -74.600283
where:
bonds (distance) C4'-P energy: -12.485
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -22.947
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: 4
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -244.285402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.285402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.285402 (E_RNA)
where:
Base-Base interactions energy: -165.310
where: short stacking energy: -78.439
Base-Backbone interact. energy: 0.173
local terms energy: -79.148576
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -16.811
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -23.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -231.086369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.086369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.086369 (E_RNA)
where:
Base-Base interactions energy: -147.042
where: short stacking energy: -67.089
Base-Backbone interact. energy: -0.005
local terms energy: -84.040075
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -17.294
flat angles P-C4'-P energy: -13.569
tors. eta vs tors. theta energy: -23.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -217.617086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.617086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.617086 (E_RNA)
where:
Base-Base interactions energy: -151.139
where: short stacking energy: -66.692
Base-Backbone interact. energy: 0.426
local terms energy: -66.904043
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -12.265
flat angles C4'-P-C4' energy: -9.893
flat angles P-C4'-P energy: -11.628
tors. eta vs tors. theta energy: -17.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -99.419875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.419875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.419875 (E_RNA)
where:
Base-Base interactions energy: -31.112
where: short stacking energy: -31.112
Base-Backbone interact. energy: -0.502
local terms energy: -67.806232
where:
bonds (distance) C4'-P energy: -17.992
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -10.353
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: 7
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -104.824945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.824945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.824945 (E_RNA)
where:
Base-Base interactions energy: -36.016
where: short stacking energy: -32.518
Base-Backbone interact. energy: -0.213
local terms energy: -68.595679
where:
bonds (distance) C4'-P energy: -16.939
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -8.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -85.539353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.539353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.539353 (E_RNA)
where:
Base-Base interactions energy: -37.868
where: short stacking energy: -23.233
Base-Backbone interact. energy: -1.009
local terms energy: -46.661863
where:
bonds (distance) C4'-P energy: -10.763
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -2.855
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: 10, replica: 8
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -100.538831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.538831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.538831 (E_RNA)
where:
Base-Base interactions energy: -40.654
where: short stacking energy: -31.689
Base-Backbone interact. energy: -0.089
local terms energy: -59.795547
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -3.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -263.636187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.636187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.636187 (E_RNA)
where:
Base-Base interactions energy: -170.750
where: short stacking energy: -74.594
Base-Backbone interact. energy: -0.016
local terms energy: -92.869508
where:
bonds (distance) C4'-P energy: -19.414
bonds (distance) P-C4' energy: -19.503
flat angles C4'-P-C4' energy: -17.976
flat angles P-C4'-P energy: -11.552
tors. eta vs tors. theta energy: -24.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -258.089840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.089840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.089840 (E_RNA)
where:
Base-Base interactions energy: -170.563
where: short stacking energy: -77.302
Base-Backbone interact. energy: -0.068
local terms energy: -87.458593
where:
bonds (distance) C4'-P energy: -17.419
bonds (distance) P-C4' energy: -14.003
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -14.354
tors. eta vs tors. theta energy: -26.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -257.269059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.269059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.269059 (E_RNA)
where:
Base-Base interactions energy: -176.092
where: short stacking energy: -84.957
Base-Backbone interact. energy: -0.041
local terms energy: -81.135819
where:
bonds (distance) C4'-P energy: -14.170
bonds (distance) P-C4' energy: -11.080
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -26.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -251.295649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.295649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.295649 (E_RNA)
where:
Base-Base interactions energy: -164.065
where: short stacking energy: -69.865
Base-Backbone interact. energy: -0.195
local terms energy: -87.035007
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -14.489
tors. eta vs tors. theta energy: -24.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -234.225275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.225275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.225275 (E_RNA)
where:
Base-Base interactions energy: -155.462
where: short stacking energy: -62.224
Base-Backbone interact. energy: -0.008
local terms energy: -78.755346
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -17.701
flat angles C4'-P-C4' energy: -13.231
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: -22.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -222.923597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.923597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.923597 (E_RNA)
where:
Base-Base interactions energy: -149.833
where: short stacking energy: -65.219
Base-Backbone interact. energy: 1.062
local terms energy: -74.151906
where:
bonds (distance) C4'-P energy: -18.231
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -13.100
flat angles P-C4'-P energy: -7.082
tors. eta vs tors. theta energy: -19.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -94.293798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.293798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.293798 (E_RNA)
where:
Base-Base interactions energy: -47.379
where: short stacking energy: -30.848
Base-Backbone interact. energy: 1.292
local terms energy: -48.206408
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -11.730
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: 1.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -95.682428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.682428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.682428 (E_RNA)
where:
Base-Base interactions energy: -39.873
where: short stacking energy: -28.393
Base-Backbone interact. energy: 0.078
local terms energy: -55.886702
where:
bonds (distance) C4'-P energy: -15.909
bonds (distance) P-C4' energy: -17.496
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -6.781
tors. eta vs tors. theta energy: -2.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -92.688870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.688870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.688870 (E_RNA)
where:
Base-Base interactions energy: -42.200
where: short stacking energy: -26.124
Base-Backbone interact. energy: -0.336
local terms energy: -50.153531
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: 0.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -81.728831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.728831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.728831 (E_RNA)
where:
Base-Base interactions energy: -37.265
where: short stacking energy: -20.493
Base-Backbone interact. energy: -0.278
local terms energy: -44.186220
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -18.820
flat angles C4'-P-C4' energy: -9.897
flat angles P-C4'-P energy: -5.631
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: 1, replica: 10
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -263.243925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.243925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.243925 (E_RNA)
where:
Base-Base interactions energy: -173.457
where: short stacking energy: -74.285
Base-Backbone interact. energy: -0.610
local terms energy: -89.176943
where:
bonds (distance) C4'-P energy: -15.296
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -18.531
flat angles P-C4'-P energy: -14.332
tors. eta vs tors. theta energy: -24.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -262.494949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.494949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.494949 (E_RNA)
where:
Base-Base interactions energy: -173.174
where: short stacking energy: -81.286
Base-Backbone interact. energy: 0.736
local terms energy: -90.057753
where:
bonds (distance) C4'-P energy: -18.801
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -17.515
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -25.717
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: 6
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -249.524587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.524587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.524587 (E_RNA)
where:
Base-Base interactions energy: -159.102
where: short stacking energy: -77.132
Base-Backbone interact. energy: -0.063
local terms energy: -90.359854
where:
bonds (distance) C4'-P energy: -19.025
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -17.350
flat angles P-C4'-P energy: -12.003
tors. eta vs tors. theta energy: -24.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -247.375795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.375795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.375795 (E_RNA)
where:
Base-Base interactions energy: -161.331
where: short stacking energy: -76.494
Base-Backbone interact. energy: 0.109
local terms energy: -86.154434
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -18.932
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -13.077
tors. eta vs tors. theta energy: -24.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -229.676001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.676001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.676001 (E_RNA)
where:
Base-Base interactions energy: -149.817
where: short stacking energy: -60.819
Base-Backbone interact. energy: -0.234
local terms energy: -79.624672
where:
bonds (distance) C4'-P energy: -11.168
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -17.357
flat angles P-C4'-P energy: -14.155
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: 6, replica: 4
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -217.376248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.376248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.376248 (E_RNA)
where:
Base-Base interactions energy: -136.126
where: short stacking energy: -62.311
Base-Backbone interact. energy: -0.150
local terms energy: -81.100884
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -20.187
flat angles C4'-P-C4' energy: -17.365
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -18.953
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: 7, replica: 3
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -93.653961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.653961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.653961 (E_RNA)
where:
Base-Base interactions energy: -33.239
where: short stacking energy: -22.308
Base-Backbone interact. energy: -0.100
local terms energy: -60.315455
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -16.742
flat angles C4'-P-C4' energy: -17.070
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -3.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -88.686717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.686717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.686717 (E_RNA)
where:
Base-Base interactions energy: -42.757
where: short stacking energy: -40.644
Base-Backbone interact. energy: -0.098
local terms energy: -45.831627
where:
bonds (distance) C4'-P energy: -11.835
bonds (distance) P-C4' energy: -11.335
flat angles C4'-P-C4' energy: -10.020
flat angles P-C4'-P energy: -6.950
tors. eta vs tors. theta energy: -5.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -82.221256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.221256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.221256 (E_RNA)
where:
Base-Base interactions energy: -26.768
where: short stacking energy: -26.281
Base-Backbone interact. energy: -0.631
local terms energy: -54.821482
where:
bonds (distance) C4'-P energy: -18.305
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -8.594
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -2.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -79.172615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.172615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.172615 (E_RNA)
where:
Base-Base interactions energy: -28.943
where: short stacking energy: -23.668
Base-Backbone interact. energy: 1.299
local terms energy: -51.528267
where:
bonds (distance) C4'-P energy: -12.030
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -10.652
tors. eta vs tors. theta energy: 3.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -263.961885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.961885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.961885 (E_RNA)
where:
Base-Base interactions energy: -170.555
where: short stacking energy: -87.431
Base-Backbone interact. energy: -0.588
local terms energy: -92.818674
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -18.273
flat angles C4'-P-C4' energy: -20.469
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -27.167
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: 6
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -265.318437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.318437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.318437 (E_RNA)
where:
Base-Base interactions energy: -176.270
where: short stacking energy: -81.708
Base-Backbone interact. energy: -0.101
local terms energy: -88.947477
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -18.586
flat angles C4'-P-C4' energy: -17.361
flat angles P-C4'-P energy: -14.012
tors. eta vs tors. theta energy: -25.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -250.997143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.997143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.997143 (E_RNA)
where:
Base-Base interactions energy: -160.449
where: short stacking energy: -74.247
Base-Backbone interact. energy: 0.236
local terms energy: -90.783731
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -17.271
flat angles C4'-P-C4' energy: -20.119
flat angles P-C4'-P energy: -15.608
tors. eta vs tors. theta energy: -24.305
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: 213
Temperature: 1.050000
Total energy: -234.098318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.098318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.098318 (E_RNA)
where:
Base-Base interactions energy: -151.052
where: short stacking energy: -74.236
Base-Backbone interact. energy: -0.092
local terms energy: -82.954146
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -18.428
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -20.650
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: 213
Temperature: 1.100000
Total energy: -233.215569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.215569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.215569 (E_RNA)
where:
Base-Base interactions energy: -147.957
where: short stacking energy: -64.509
Base-Backbone interact. energy: -0.005
local terms energy: -85.253986
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -16.078
flat angles P-C4'-P energy: -14.363
tors. eta vs tors. theta energy: -24.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -222.647546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.647546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.647546 (E_RNA)
where:
Base-Base interactions energy: -149.479
where: short stacking energy: -72.352
Base-Backbone interact. energy: -0.241
local terms energy: -72.927282
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -12.884
flat angles P-C4'-P energy: -9.103
tors. eta vs tors. theta energy: -18.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -92.789488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.789488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.789488 (E_RNA)
where:
Base-Base interactions energy: -38.594
where: short stacking energy: -24.313
Base-Backbone interact. energy: -0.130
local terms energy: -54.065569
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -13.922
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -0.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -100.123972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.123972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.123972 (E_RNA)
where:
Base-Base interactions energy: -45.199
where: short stacking energy: -28.504
Base-Backbone interact. energy: 0.181
local terms energy: -55.105785
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -13.337
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -2.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -81.475985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.475985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.475985 (E_RNA)
where:
Base-Base interactions energy: -29.902
where: short stacking energy: -29.902
Base-Backbone interact. energy: -0.080
local terms energy: -51.494372
where:
bonds (distance) C4'-P energy: -16.279
bonds (distance) P-C4' energy: -12.224
flat angles C4'-P-C4' energy: -13.560
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: 0.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -94.909936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.909936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.909936 (E_RNA)
where:
Base-Base interactions energy: -44.825
where: short stacking energy: -22.794
Base-Backbone interact. energy: 0.118
local terms energy: -50.202860
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -14.055
flat angles C4'-P-C4' energy: -12.017
flat angles P-C4'-P energy: -2.680
tors. eta vs tors. theta energy: -4.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -266.990042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.990042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.990042 (E_RNA)
where:
Base-Base interactions energy: -174.036
where: short stacking energy: -82.635
Base-Backbone interact. energy: -0.001
local terms energy: -92.952313
where:
bonds (distance) C4'-P energy: -17.613
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -18.088
flat angles P-C4'-P energy: -15.156
tors. eta vs tors. theta energy: -25.980
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: 6
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -263.019088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.019088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.019088 (E_RNA)
where:
Base-Base interactions energy: -169.890
where: short stacking energy: -80.077
Base-Backbone interact. energy: -0.005
local terms energy: -93.124350
where:
bonds (distance) C4'-P energy: -17.577
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -19.812
flat angles P-C4'-P energy: -13.523
tors. eta vs tors. theta energy: -25.712
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: 2
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -243.989602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.989602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.989602 (E_RNA)
where:
Base-Base interactions energy: -155.649
where: short stacking energy: -73.758
Base-Backbone interact. energy: -0.091
local terms energy: -88.249613
where:
bonds (distance) C4'-P energy: -19.440
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -14.707
tors. eta vs tors. theta energy: -20.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -242.228942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.228942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.228942 (E_RNA)
where:
Base-Base interactions energy: -158.366
where: short stacking energy: -69.847
Base-Backbone interact. energy: -0.048
local terms energy: -83.815852
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -11.770
flat angles P-C4'-P energy: -13.788
tors. eta vs tors. theta energy: -26.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -235.880116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.880116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.880116 (E_RNA)
where:
Base-Base interactions energy: -157.353
where: short stacking energy: -75.672
Base-Backbone interact. energy: 0.982
local terms energy: -79.508431
where:
bonds (distance) C4'-P energy: -17.544
bonds (distance) P-C4' energy: -15.096
flat angles C4'-P-C4' energy: -13.223
flat angles P-C4'-P energy: -14.224
tors. eta vs tors. theta energy: -19.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -242.583197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.583197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.583197 (E_RNA)
where:
Base-Base interactions energy: -154.334
where: short stacking energy: -71.981
Base-Backbone interact. energy: -0.103
local terms energy: -88.145735
where:
bonds (distance) C4'-P energy: -18.712
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -13.595
tors. eta vs tors. theta energy: -25.353
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: 1
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -98.940305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.940305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.940305 (E_RNA)
where:
Base-Base interactions energy: -48.279
where: short stacking energy: -27.841
Base-Backbone interact. energy: -0.077
local terms energy: -50.584150
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -15.359
flat angles C4'-P-C4' energy: -12.973
flat angles P-C4'-P energy: -7.523
tors. eta vs tors. theta energy: -2.978
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: 3
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -98.126368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.126368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.126368 (E_RNA)
where:
Base-Base interactions energy: -48.318
where: short stacking energy: -39.310
Base-Backbone interact. energy: -0.200
local terms energy: -49.608401
where:
bonds (distance) C4'-P energy: -16.407
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -10.776
flat angles P-C4'-P energy: 0.206
tors. eta vs tors. theta energy: -8.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -99.485076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.485076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.485076 (E_RNA)
where:
Base-Base interactions energy: -51.578
where: short stacking energy: -30.074
Base-Backbone interact. energy: -0.299
local terms energy: -47.607952
where:
bonds (distance) C4'-P energy: -12.191
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -10.863
flat angles P-C4'-P energy: -8.426
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: 8
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -87.145751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.145751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.145751 (E_RNA)
where:
Base-Base interactions energy: -30.127
where: short stacking energy: -18.481
Base-Backbone interact. energy: 0.658
local terms energy: -57.676867
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -18.995
flat angles C4'-P-C4' energy: -13.018
flat angles P-C4'-P energy: -6.269
tors. eta vs tors. theta energy: -4.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -267.886179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.886179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.886179 (E_RNA)
where:
Base-Base interactions energy: -172.763
where: short stacking energy: -88.799
Base-Backbone interact. energy: -0.001
local terms energy: -95.122277
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -20.629
flat angles C4'-P-C4' energy: -20.018
flat angles P-C4'-P energy: -14.585
tors. eta vs tors. theta energy: -23.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -259.702834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.702834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.702834 (E_RNA)
where:
Base-Base interactions energy: -168.183
where: short stacking energy: -84.594
Base-Backbone interact. energy: -0.030
local terms energy: -91.490199
where:
bonds (distance) C4'-P energy: -18.284
bonds (distance) P-C4' energy: -17.588
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -11.799
tors. eta vs tors. theta energy: -27.454
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: 6
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -247.664494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.664494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.664494 (E_RNA)
where:
Base-Base interactions energy: -162.128
where: short stacking energy: -75.182
Base-Backbone interact. energy: -0.086
local terms energy: -85.450298
where:
bonds (distance) C4'-P energy: -15.296
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -17.815
flat angles P-C4'-P energy: -11.893
tors. eta vs tors. theta energy: -24.667
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: 215
Temperature: 1.050000
Total energy: -247.174790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.174790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.174790 (E_RNA)
where:
Base-Base interactions energy: -162.284
where: short stacking energy: -74.481
Base-Backbone interact. energy: -1.712
local terms energy: -83.178465
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -11.870
flat angles C4'-P-C4' energy: -16.714
flat angles P-C4'-P energy: -16.082
tors. eta vs tors. theta energy: -25.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -245.076022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.076022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.076022 (E_RNA)
where:
Base-Base interactions energy: -165.288
where: short stacking energy: -74.684
Base-Backbone interact. energy: -0.058
local terms energy: -79.729805
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -17.609
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -8.145
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: 6, replica: 9
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -239.865205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.865205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.865205 (E_RNA)
where:
Base-Base interactions energy: -155.574
where: short stacking energy: -69.192
Base-Backbone interact. energy: -0.223
local terms energy: -84.068018
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -15.317
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -23.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -111.001966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.001966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.001966 (E_RNA)
where:
Base-Base interactions energy: -50.809
where: short stacking energy: -44.953
Base-Backbone interact. energy: -0.205
local terms energy: -59.987190
where:
bonds (distance) C4'-P energy: -9.847
bonds (distance) P-C4' energy: -15.979
flat angles C4'-P-C4' energy: -18.606
flat angles P-C4'-P energy: -7.604
tors. eta vs tors. theta energy: -7.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -102.084863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.084863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.084863 (E_RNA)
where:
Base-Base interactions energy: -57.050
where: short stacking energy: -30.513
Base-Backbone interact. energy: -0.584
local terms energy: -44.450906
where:
bonds (distance) C4'-P energy: -5.323
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -5.471
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: -7.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -116.403976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.403976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.403976 (E_RNA)
where:
Base-Base interactions energy: -56.005
where: short stacking energy: -31.927
Base-Backbone interact. energy: -0.064
local terms energy: -60.335824
where:
bonds (distance) C4'-P energy: -17.974
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -4.605
tors. eta vs tors. theta energy: -8.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -85.429630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.429630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.429630 (E_RNA)
where:
Base-Base interactions energy: -32.644
where: short stacking energy: -24.838
Base-Backbone interact. energy: -1.705
local terms energy: -51.080076
where:
bonds (distance) C4'-P energy: -16.573
bonds (distance) P-C4' energy: -19.116
flat angles C4'-P-C4' energy: -9.230
flat angles P-C4'-P energy: -0.176
tors. eta vs tors. theta energy: -5.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -270.301455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.301455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.301455 (E_RNA)
where:
Base-Base interactions energy: -181.219
where: short stacking energy: -87.750
Base-Backbone interact. energy: -0.025
local terms energy: -89.056775
where:
bonds (distance) C4'-P energy: -15.880
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -17.875
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -27.201
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: 2, replica: 2
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -261.862584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.862584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.862584 (E_RNA)
where:
Base-Base interactions energy: -170.577
where: short stacking energy: -77.998
Base-Backbone interact. energy: -0.135
local terms energy: -91.150447
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -17.477
flat angles P-C4'-P energy: -12.275
tors. eta vs tors. theta energy: -26.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -245.020709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.020709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.020709 (E_RNA)
where:
Base-Base interactions energy: -168.418
where: short stacking energy: -75.095
Base-Backbone interact. energy: -0.004
local terms energy: -76.598696
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -18.624
flat angles P-C4'-P energy: -8.758
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: 4, replica: 6
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -252.821742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.821742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.821742 (E_RNA)
where:
Base-Base interactions energy: -158.985
where: short stacking energy: -73.145
Base-Backbone interact. energy: 0.404
local terms energy: -94.240888
where:
bonds (distance) C4'-P energy: -17.756
bonds (distance) P-C4' energy: -18.963
flat angles C4'-P-C4' energy: -18.294
flat angles P-C4'-P energy: -15.042
tors. eta vs tors. theta energy: -24.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -238.609152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.609152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.609152 (E_RNA)
where:
Base-Base interactions energy: -157.393
where: short stacking energy: -68.243
Base-Backbone interact. energy: -0.018
local terms energy: -81.197824
where:
bonds (distance) C4'-P energy: -16.236
bonds (distance) P-C4' energy: -15.351
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -22.908
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: 6, replica: 9
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -237.980462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.980462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.980462 (E_RNA)
where:
Base-Base interactions energy: -154.930
where: short stacking energy: -63.317
Base-Backbone interact. energy: -0.109
local terms energy: -82.941825
where:
bonds (distance) C4'-P energy: -15.497
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -9.801
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: 7, replica: 1
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -110.028811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.028811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.028811 (E_RNA)
where:
Base-Base interactions energy: -52.708
where: short stacking energy: -37.772
Base-Backbone interact. energy: -0.272
local terms energy: -57.049378
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -17.046
flat angles C4'-P-C4' energy: -18.068
flat angles P-C4'-P energy: 1.573
tors. eta vs tors. theta energy: -6.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -88.136847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.136847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.136847 (E_RNA)
where:
Base-Base interactions energy: -31.454
where: short stacking energy: -26.955
Base-Backbone interact. energy: -0.064
local terms energy: -56.618876
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -19.732
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -7.099
tors. eta vs tors. theta energy: 0.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -109.157351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.157351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.157351 (E_RNA)
where:
Base-Base interactions energy: -45.195
where: short stacking energy: -37.310
Base-Backbone interact. energy: -3.305
local terms energy: -60.657435
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -10.521
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -8.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -126.951897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.951897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.951897 (E_RNA)
where:
Base-Base interactions energy: -73.639
where: short stacking energy: -38.010
Base-Backbone interact. energy: -0.166
local terms energy: -53.146423
where:
bonds (distance) C4'-P energy: -18.081
bonds (distance) P-C4' energy: -8.674
flat angles C4'-P-C4' energy: -11.328
flat angles P-C4'-P energy: -6.876
tors. eta vs tors. theta energy: -8.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -260.153643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.153643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.153643 (E_RNA)
where:
Base-Base interactions energy: -167.954
where: short stacking energy: -73.290
Base-Backbone interact. energy: -0.027
local terms energy: -92.172504
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -18.586
flat angles C4'-P-C4' energy: -19.482
flat angles P-C4'-P energy: -15.951
tors. eta vs tors. theta energy: -23.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -262.140792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.140792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.140792 (E_RNA)
where:
Base-Base interactions energy: -166.260
where: short stacking energy: -84.341
Base-Backbone interact. energy: -0.009
local terms energy: -95.872285
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -19.252
flat angles C4'-P-C4' energy: -20.235
flat angles P-C4'-P energy: -15.898
tors. eta vs tors. theta energy: -26.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -242.432602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.432602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.432602 (E_RNA)
where:
Base-Base interactions energy: -157.990
where: short stacking energy: -72.250
Base-Backbone interact. energy: -0.008
local terms energy: -84.434341
where:
bonds (distance) C4'-P energy: -18.289
bonds (distance) P-C4' energy: -11.137
flat angles C4'-P-C4' energy: -18.752
flat angles P-C4'-P energy: -14.293
tors. eta vs tors. theta energy: -21.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -243.478017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.478017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.478017 (E_RNA)
where:
Base-Base interactions energy: -162.453
where: short stacking energy: -73.990
Base-Backbone interact. energy: -0.059
local terms energy: -80.965670
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -17.780
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: -24.985
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: 6
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -233.285346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.285346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.285346 (E_RNA)
where:
Base-Base interactions energy: -151.824
where: short stacking energy: -61.944
Base-Backbone interact. energy: -0.085
local terms energy: -81.376669
where:
bonds (distance) C4'-P energy: -17.623
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: -22.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -223.447412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.447412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.447412 (E_RNA)
where:
Base-Base interactions energy: -140.330
where: short stacking energy: -63.752
Base-Backbone interact. energy: -0.152
local terms energy: -82.965038
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -18.432
flat angles C4'-P-C4' energy: -17.740
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: -20.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -101.733865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.733865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.733865 (E_RNA)
where:
Base-Base interactions energy: -46.777
where: short stacking energy: -26.709
Base-Backbone interact. energy: -0.078
local terms energy: -54.878806
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -16.059
flat angles C4'-P-C4' energy: -10.325
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: -3.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -104.357706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.357706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.357706 (E_RNA)
where:
Base-Base interactions energy: -48.558
where: short stacking energy: -38.848
Base-Backbone interact. energy: -0.051
local terms energy: -55.748710
where:
bonds (distance) C4'-P energy: -9.553
bonds (distance) P-C4' energy: -15.594
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -4.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -87.806433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.806433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.806433 (E_RNA)
where:
Base-Base interactions energy: -31.812
where: short stacking energy: -22.541
Base-Backbone interact. energy: -0.634
local terms energy: -55.360269
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -9.905
tors. eta vs tors. theta energy: 0.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -96.575272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.575272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.575272 (E_RNA)
where:
Base-Base interactions energy: -36.283
where: short stacking energy: -24.572
Base-Backbone interact. energy: -0.723
local terms energy: -59.568857
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -12.447
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -4.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -259.137555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.137555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.137555 (E_RNA)
where:
Base-Base interactions energy: -167.899
where: short stacking energy: -85.309
Base-Backbone interact. energy: -0.089
local terms energy: -91.150218
where:
bonds (distance) C4'-P energy: -12.721
bonds (distance) P-C4' energy: -17.395
flat angles C4'-P-C4' energy: -19.629
flat angles P-C4'-P energy: -14.281
tors. eta vs tors. theta energy: -27.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -265.137461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.137461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.137461 (E_RNA)
where:
Base-Base interactions energy: -172.856
where: short stacking energy: -81.071
Base-Backbone interact. energy: -0.101
local terms energy: -92.181113
where:
bonds (distance) C4'-P energy: -15.751
bonds (distance) P-C4' energy: -18.802
flat angles C4'-P-C4' energy: -18.162
flat angles P-C4'-P energy: -13.665
tors. eta vs tors. theta energy: -25.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -242.413886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.413886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.413886 (E_RNA)
where:
Base-Base interactions energy: -154.439
where: short stacking energy: -77.236
Base-Backbone interact. energy: -0.139
local terms energy: -87.835265
where:
bonds (distance) C4'-P energy: -18.082
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -20.245
flat angles P-C4'-P energy: -12.023
tors. eta vs tors. theta energy: -21.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -253.111145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.111145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.111145 (E_RNA)
where:
Base-Base interactions energy: -161.159
where: short stacking energy: -73.583
Base-Backbone interact. energy: -0.650
local terms energy: -91.301905
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -17.212
flat angles P-C4'-P energy: -14.120
tors. eta vs tors. theta energy: -25.209
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: 6
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -240.833281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.833281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.833281 (E_RNA)
where:
Base-Base interactions energy: -155.826
where: short stacking energy: -74.314
Base-Backbone interact. energy: -0.403
local terms energy: -84.603990
where:
bonds (distance) C4'-P energy: -14.005
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -16.523
flat angles P-C4'-P energy: -15.248
tors. eta vs tors. theta energy: -22.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -234.243054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.243054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.243054 (E_RNA)
where:
Base-Base interactions energy: -154.384
where: short stacking energy: -70.059
Base-Backbone interact. energy: -0.325
local terms energy: -79.534114
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -23.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -104.087282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.087282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.087282 (E_RNA)
where:
Base-Base interactions energy: -46.472
where: short stacking energy: -30.887
Base-Backbone interact. energy: -0.840
local terms energy: -56.775896
where:
bonds (distance) C4'-P energy: -12.014
bonds (distance) P-C4' energy: -17.904
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -7.092
tors. eta vs tors. theta energy: -2.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -87.148534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.148534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.148534 (E_RNA)
where:
Base-Base interactions energy: -38.100
where: short stacking energy: -29.234
Base-Backbone interact. energy: -0.199
local terms energy: -48.849994
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -15.505
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -3.396
tors. eta vs tors. theta energy: -1.611
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: 8
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -89.226631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.226631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.226631 (E_RNA)
where:
Base-Base interactions energy: -40.542
where: short stacking energy: -23.609
Base-Backbone interact. energy: -0.145
local terms energy: -48.539715
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -18.889
flat angles C4'-P-C4' energy: -16.610
flat angles P-C4'-P energy: -4.587
tors. eta vs tors. theta energy: 3.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -84.216929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.216929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.216929 (E_RNA)
where:
Base-Base interactions energy: -34.809
where: short stacking energy: -26.749
Base-Backbone interact. energy: 0.067
local terms energy: -49.474518
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -18.162
flat angles C4'-P-C4' energy: -9.261
flat angles P-C4'-P energy: -7.070
tors. eta vs tors. theta energy: -2.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -269.283128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.283128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.283128 (E_RNA)
where:
Base-Base interactions energy: -175.603
where: short stacking energy: -82.172
Base-Backbone interact. energy: -0.052
local terms energy: -93.628363
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -19.842
flat angles C4'-P-C4' energy: -19.595
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -26.175
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: 4
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -245.098394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.098394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.098394 (E_RNA)
where:
Base-Base interactions energy: -166.306
where: short stacking energy: -64.448
Base-Backbone interact. energy: -0.127
local terms energy: -78.665167
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -13.936
tors. eta vs tors. theta energy: -19.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -235.693789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.693789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.693789 (E_RNA)
where:
Base-Base interactions energy: -148.124
where: short stacking energy: -72.818
Base-Backbone interact. energy: -0.001
local terms energy: -87.568701
where:
bonds (distance) C4'-P energy: -18.440
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -19.849
flat angles P-C4'-P energy: -13.401
tors. eta vs tors. theta energy: -22.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -249.718031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.718031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.718031 (E_RNA)
where:
Base-Base interactions energy: -161.192
where: short stacking energy: -75.681
Base-Backbone interact. energy: -0.002
local terms energy: -88.523855
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -20.480
flat angles P-C4'-P energy: -7.657
tors. eta vs tors. theta energy: -26.572
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: 5
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -240.184083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.184083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.184083 (E_RNA)
where:
Base-Base interactions energy: -162.179
where: short stacking energy: -77.673
Base-Backbone interact. energy: -0.070
local terms energy: -77.935035
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -11.875
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -7.925
tors. eta vs tors. theta energy: -24.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -200.629392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.629392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.629392 (E_RNA)
where:
Base-Base interactions energy: -138.138
where: short stacking energy: -64.392
Base-Backbone interact. energy: 0.069
local terms energy: -62.561059
where:
bonds (distance) C4'-P energy: -8.421
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -6.498
tors. eta vs tors. theta energy: -15.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -94.394228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.394228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.394228 (E_RNA)
where:
Base-Base interactions energy: -34.581
where: short stacking energy: -34.581
Base-Backbone interact. energy: 0.310
local terms energy: -60.122464
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -19.489
flat angles C4'-P-C4' energy: -16.859
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -2.767
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: 8, replica: 8
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -98.419632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.419632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.419632 (E_RNA)
where:
Base-Base interactions energy: -32.686
where: short stacking energy: -32.686
Base-Backbone interact. energy: -0.306
local terms energy: -65.427618
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -6.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -87.330467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.330467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.330467 (E_RNA)
where:
Base-Base interactions energy: -31.101
where: short stacking energy: -31.078
Base-Backbone interact. energy: -0.207
local terms energy: -56.022437
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -17.340
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -4.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -87.612046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.612046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.612046 (E_RNA)
where:
Base-Base interactions energy: -29.576
where: short stacking energy: -21.209
Base-Backbone interact. energy: -0.073
local terms energy: -57.962761
where:
bonds (distance) C4'-P energy: -12.044
bonds (distance) P-C4' energy: -18.090
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -13.942
tors. eta vs tors. theta energy: 2.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -262.137307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.137307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.137307 (E_RNA)
where:
Base-Base interactions energy: -180.076
where: short stacking energy: -75.018
Base-Backbone interact. energy: -0.011
local terms energy: -82.050285
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -17.755
flat angles C4'-P-C4' energy: -16.791
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -22.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -251.929268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.929268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.929268 (E_RNA)
where:
Base-Base interactions energy: -164.561
where: short stacking energy: -76.915
Base-Backbone interact. energy: 0.265
local terms energy: -87.633959
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -19.496
flat angles C4'-P-C4' energy: -18.504
flat angles P-C4'-P energy: -13.342
tors. eta vs tors. theta energy: -20.541
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: 6
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -247.180940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.180940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.180940 (E_RNA)
where:
Base-Base interactions energy: -160.183
where: short stacking energy: -77.055
Base-Backbone interact. energy: -0.035
local terms energy: -86.962939
where:
bonds (distance) C4'-P energy: -19.576
bonds (distance) P-C4' energy: -20.473
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -22.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -235.350863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.350863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.350863 (E_RNA)
where:
Base-Base interactions energy: -156.176
where: short stacking energy: -78.281
Base-Backbone interact. energy: -0.215
local terms energy: -78.960039
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -18.808
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -20.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -228.198999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.198999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.198999 (E_RNA)
where:
Base-Base interactions energy: -152.871
where: short stacking energy: -71.882
Base-Backbone interact. energy: -0.723
local terms energy: -74.605038
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -14.576
flat angles C4'-P-C4' energy: -17.582
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -22.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -235.730382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.730382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.730382 (E_RNA)
where:
Base-Base interactions energy: -156.889
where: short stacking energy: -77.354
Base-Backbone interact. energy: -0.034
local terms energy: -78.807961
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -14.248
flat angles C4'-P-C4' energy: -16.803
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: -23.766
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: 8
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -100.186155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.186155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.186155 (E_RNA)
where:
Base-Base interactions energy: -36.277
where: short stacking energy: -36.277
Base-Backbone interact. energy: -0.114
local terms energy: -63.795064
where:
bonds (distance) C4'-P energy: -12.101
bonds (distance) P-C4' energy: -18.427
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -9.830
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: 3
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -99.171629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.171629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.171629 (E_RNA)
where:
Base-Base interactions energy: -44.480
where: short stacking energy: -24.626
Base-Backbone interact. energy: -1.835
local terms energy: -52.856666
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -11.077
tors. eta vs tors. theta energy: 1.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -88.719111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.719111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.719111 (E_RNA)
where:
Base-Base interactions energy: -36.058
where: short stacking energy: -36.058
Base-Backbone interact. energy: -0.217
local terms energy: -52.444012
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -12.735
flat angles C4'-P-C4' energy: -9.135
flat angles P-C4'-P energy: -12.924
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: 10, replica: 1
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -85.974469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.974469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.974469 (E_RNA)
where:
Base-Base interactions energy: -23.622
where: short stacking energy: -23.622
Base-Backbone interact. energy: -0.109
local terms energy: -62.243243
where:
bonds (distance) C4'-P energy: -17.896
bonds (distance) P-C4' energy: -12.378
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -8.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -254.819465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.819465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.819465 (E_RNA)
where:
Base-Base interactions energy: -169.921
where: short stacking energy: -79.968
Base-Backbone interact. energy: -0.064
local terms energy: -84.834677
where:
bonds (distance) C4'-P energy: -14.154
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -18.016
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -24.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -252.469382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.469382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.469382 (E_RNA)
where:
Base-Base interactions energy: -165.785
where: short stacking energy: -79.777
Base-Backbone interact. energy: -0.005
local terms energy: -86.679604
where:
bonds (distance) C4'-P energy: -17.505
bonds (distance) P-C4' energy: -16.956
flat angles C4'-P-C4' energy: -16.775
flat angles P-C4'-P energy: -14.126
tors. eta vs tors. theta energy: -21.318
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: 6
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -244.203505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.203505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.203505 (E_RNA)
where:
Base-Base interactions energy: -158.127
where: short stacking energy: -69.541
Base-Backbone interact. energy: -0.046
local terms energy: -86.029693
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: -24.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -241.201416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.201416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.201416 (E_RNA)
where:
Base-Base interactions energy: -159.531
where: short stacking energy: -73.862
Base-Backbone interact. energy: 0.075
local terms energy: -81.744978
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -13.330
tors. eta vs tors. theta energy: -22.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -230.107841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.107841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.107841 (E_RNA)
where:
Base-Base interactions energy: -155.440
where: short stacking energy: -71.714
Base-Backbone interact. energy: -0.334
local terms energy: -74.334182
where:
bonds (distance) C4'-P energy: -15.462
bonds (distance) P-C4' energy: -11.638
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -9.580
tors. eta vs tors. theta energy: -21.016
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: 221
Temperature: 1.150000
Total energy: -212.719840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.719840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.719840 (E_RNA)
where:
Base-Base interactions energy: -140.347
where: short stacking energy: -59.587
Base-Backbone interact. energy: -0.023
local terms energy: -72.349904
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -12.236
tors. eta vs tors. theta energy: -14.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -93.706530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.706530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.706530 (E_RNA)
where:
Base-Base interactions energy: -30.955
where: short stacking energy: -30.955
Base-Backbone interact. energy: -0.614
local terms energy: -62.137136
where:
bonds (distance) C4'-P energy: -14.883
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -12.411
tors. eta vs tors. theta energy: -2.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -104.446470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.446470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.446470 (E_RNA)
where:
Base-Base interactions energy: -48.122
where: short stacking energy: -37.718
Base-Backbone interact. energy: -1.625
local terms energy: -54.699214
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -17.300
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -5.199
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: 221
Temperature: 1.300000
Total energy: -84.908202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.908202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.908202 (E_RNA)
where:
Base-Base interactions energy: -30.496
where: short stacking energy: -28.252
Base-Backbone interact. energy: -0.153
local terms energy: -54.258967
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -18.590
flat angles C4'-P-C4' energy: -16.492
flat angles P-C4'-P energy: -2.769
tors. eta vs tors. theta energy: -3.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -85.466521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.466521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.466521 (E_RNA)
where:
Base-Base interactions energy: -24.032
where: short stacking energy: -24.032
Base-Backbone interact. energy: -0.069
local terms energy: -61.365461
where:
bonds (distance) C4'-P energy: -10.318
bonds (distance) P-C4' energy: -19.249
flat angles C4'-P-C4' energy: -12.663
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -6.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -252.841410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.841410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.841410 (E_RNA)
where:
Base-Base interactions energy: -162.504
where: short stacking energy: -82.816
Base-Backbone interact. energy: -0.011
local terms energy: -90.327389
where:
bonds (distance) C4'-P energy: -17.899
bonds (distance) P-C4' energy: -20.070
flat angles C4'-P-C4' energy: -19.592
flat angles P-C4'-P energy: -9.935
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: 2, replica: 2
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -257.518809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.518809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.518809 (E_RNA)
where:
Base-Base interactions energy: -175.927
where: short stacking energy: -87.074
Base-Backbone interact. energy: -0.008
local terms energy: -81.584409
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -11.937
tors. eta vs tors. theta energy: -24.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -242.688425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.688425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.688425 (E_RNA)
where:
Base-Base interactions energy: -153.373
where: short stacking energy: -82.248
Base-Backbone interact. energy: -0.009
local terms energy: -89.305879
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -20.798
flat angles P-C4'-P energy: -11.742
tors. eta vs tors. theta energy: -24.616
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: 6
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -234.286583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.286583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.286583 (E_RNA)
where:
Base-Base interactions energy: -153.401
where: short stacking energy: -72.690
Base-Backbone interact. energy: -0.044
local terms energy: -80.841668
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -11.856
flat angles C4'-P-C4' energy: -20.165
flat angles P-C4'-P energy: -12.497
tors. eta vs tors. theta energy: -22.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -239.052199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.052199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.052199 (E_RNA)
where:
Base-Base interactions energy: -154.905
where: short stacking energy: -70.848
Base-Backbone interact. energy: -0.609
local terms energy: -83.538235
where:
bonds (distance) C4'-P energy: -17.838
bonds (distance) P-C4' energy: -16.341
flat angles C4'-P-C4' energy: -18.259
flat angles P-C4'-P energy: -10.338
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: 6, replica: 9
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -209.854337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.854337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.854337 (E_RNA)
where:
Base-Base interactions energy: -138.386
where: short stacking energy: -54.758
Base-Backbone interact. energy: -0.100
local terms energy: -71.368959
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -18.567
flat angles P-C4'-P energy: -12.013
tors. eta vs tors. theta energy: -13.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -89.637367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.637367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.637367 (E_RNA)
where:
Base-Base interactions energy: -32.297
where: short stacking energy: -27.879
Base-Backbone interact. energy: -0.362
local terms energy: -56.977736
where:
bonds (distance) C4'-P energy: -16.033
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -10.712
flat angles P-C4'-P energy: -9.278
tors. eta vs tors. theta energy: -5.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -106.564027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.564027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.564027 (E_RNA)
where:
Base-Base interactions energy: -53.892
where: short stacking energy: -26.492
Base-Backbone interact. energy: -0.141
local terms energy: -52.531080
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -7.200
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -2.572
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: 1
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -82.316302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.316302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.316302 (E_RNA)
where:
Base-Base interactions energy: -30.486
where: short stacking energy: -24.457
Base-Backbone interact. energy: -0.423
local terms energy: -51.406990
where:
bonds (distance) C4'-P energy: -19.889
bonds (distance) P-C4' energy: -10.761
flat angles C4'-P-C4' energy: -16.650
flat angles P-C4'-P energy: -4.929
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: 7
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -81.636315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.636315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.636315 (E_RNA)
where:
Base-Base interactions energy: -20.057
where: short stacking energy: -20.057
Base-Backbone interact. energy: 0.611
local terms energy: -62.190400
where:
bonds (distance) C4'-P energy: -19.762
bonds (distance) P-C4' energy: -19.969
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -12.794
tors. eta vs tors. theta energy: 2.799
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: 223
Temperature: 0.900000
Total energy: -259.185162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.185162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.185162 (E_RNA)
where:
Base-Base interactions energy: -166.353
where: short stacking energy: -71.793
Base-Backbone interact. energy: -0.672
local terms energy: -92.160141
where:
bonds (distance) C4'-P energy: -19.166
bonds (distance) P-C4' energy: -17.431
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -14.107
tors. eta vs tors. theta energy: -24.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -256.236015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.236015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.236015 (E_RNA)
where:
Base-Base interactions energy: -167.222
where: short stacking energy: -81.573
Base-Backbone interact. energy: -0.065
local terms energy: -88.949006
where:
bonds (distance) C4'-P energy: -17.895
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: -25.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -250.064043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.064043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.064043 (E_RNA)
where:
Base-Base interactions energy: -171.829
where: short stacking energy: -78.069
Base-Backbone interact. energy: -0.000
local terms energy: -78.234442
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -24.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -251.430389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.430389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.430389 (E_RNA)
where:
Base-Base interactions energy: -160.978
where: short stacking energy: -78.387
Base-Backbone interact. energy: -0.026
local terms energy: -90.426844
where:
bonds (distance) C4'-P energy: -12.995
bonds (distance) P-C4' energy: -17.065
flat angles C4'-P-C4' energy: -19.472
flat angles P-C4'-P energy: -13.686
tors. eta vs tors. theta energy: -27.209
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: 6
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -237.728415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.728415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.728415 (E_RNA)
where:
Base-Base interactions energy: -156.849
where: short stacking energy: -68.104
Base-Backbone interact. energy: -0.131
local terms energy: -80.748246
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -12.850
tors. eta vs tors. theta energy: -20.794
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: 9
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -207.276556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.276556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.276556 (E_RNA)
where:
Base-Base interactions energy: -131.131
where: short stacking energy: -63.086
Base-Backbone interact. energy: -0.245
local terms energy: -75.900747
where:
bonds (distance) C4'-P energy: -18.310
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -18.295
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -15.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -90.391672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.391672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.391672 (E_RNA)
where:
Base-Base interactions energy: -35.794
where: short stacking energy: -33.905
Base-Backbone interact. energy: -0.186
local terms energy: -54.412516
where:
bonds (distance) C4'-P energy: -19.228
bonds (distance) P-C4' energy: -11.154
flat angles C4'-P-C4' energy: -8.897
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -4.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -104.084337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.084337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.084337 (E_RNA)
where:
Base-Base interactions energy: -47.802
where: short stacking energy: -39.831
Base-Backbone interact. energy: -0.006
local terms energy: -56.276142
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -12.447
flat angles P-C4'-P energy: -6.474
tors. eta vs tors. theta energy: -5.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -101.699865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.699865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.699865 (E_RNA)
where:
Base-Base interactions energy: -48.724
where: short stacking energy: -20.434
Base-Backbone interact. energy: -1.304
local terms energy: -51.671776
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -12.882
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -3.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -82.227277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.227277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.227277 (E_RNA)
where:
Base-Base interactions energy: -20.129
where: short stacking energy: -20.129
Base-Backbone interact. energy: 0.408
local terms energy: -62.505938
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -20.345
flat angles C4'-P-C4' energy: -17.352
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: -4.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -261.126480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.126480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.126480 (E_RNA)
where:
Base-Base interactions energy: -173.196
where: short stacking energy: -81.361
Base-Backbone interact. energy: -0.022
local terms energy: -87.908359
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -17.813
flat angles P-C4'-P energy: -13.652
tors. eta vs tors. theta energy: -22.230
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: 4
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -254.549681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.549681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.549681 (E_RNA)
where:
Base-Base interactions energy: -166.982
where: short stacking energy: -82.154
Base-Backbone interact. energy: -0.062
local terms energy: -87.505972
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -13.465
tors. eta vs tors. theta energy: -25.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -256.014794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.014794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.014794 (E_RNA)
where:
Base-Base interactions energy: -162.963
where: short stacking energy: -73.362
Base-Backbone interact. energy: -0.038
local terms energy: -93.014439
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -19.482
flat angles C4'-P-C4' energy: -18.917
flat angles P-C4'-P energy: -13.218
tors. eta vs tors. theta energy: -26.408
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: 4, replica: 10
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -244.353102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.353102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.353102 (E_RNA)
where:
Base-Base interactions energy: -157.108
where: short stacking energy: -81.173
Base-Backbone interact. energy: -0.239
local terms energy: -87.005882
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -14.235
flat angles C4'-P-C4' energy: -20.732
flat angles P-C4'-P energy: -12.844
tors. eta vs tors. theta energy: -25.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -226.346538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.346538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.346538 (E_RNA)
where:
Base-Base interactions energy: -141.531
where: short stacking energy: -70.000
Base-Backbone interact. energy: -1.036
local terms energy: -83.778880
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -18.773
flat angles C4'-P-C4' energy: -16.736
flat angles P-C4'-P energy: -11.864
tors. eta vs tors. theta energy: -19.968
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: 6
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -233.750236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.750236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.750236 (E_RNA)
where:
Base-Base interactions energy: -146.906
where: short stacking energy: -65.632
Base-Backbone interact. energy: -0.007
local terms energy: -86.837076
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -19.002
flat angles C4'-P-C4' energy: -18.131
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: -21.946
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: 224
Temperature: 1.200000
Total energy: -111.505962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.505962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.505962 (E_RNA)
where:
Base-Base interactions energy: -61.984
where: short stacking energy: -44.030
Base-Backbone interact. energy: 0.216
local terms energy: -49.737714
where:
bonds (distance) C4'-P energy: -5.347
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -7.294
tors. eta vs tors. theta energy: -7.876
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: 8
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -91.241821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.241821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.241821 (E_RNA)
where:
Base-Base interactions energy: -41.697
where: short stacking energy: -33.871
Base-Backbone interact. energy: -0.011
local terms energy: -49.533636
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -8.196
flat angles P-C4'-P energy: -2.714
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: 9, replica: 7
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -95.900074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.900074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.900074 (E_RNA)
where:
Base-Base interactions energy: -28.790
where: short stacking energy: -27.390
Base-Backbone interact. energy: -0.141
local terms energy: -66.968719
where:
bonds (distance) C4'-P energy: -11.633
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -19.219
flat angles P-C4'-P energy: -15.255
tors. eta vs tors. theta energy: -6.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -86.708196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.708196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.708196 (E_RNA)
where:
Base-Base interactions energy: -22.141
where: short stacking energy: -21.421
Base-Backbone interact. energy: -0.298
local terms energy: -64.269396
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -18.294
flat angles C4'-P-C4' energy: -17.756
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -2.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -254.438575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.438575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.438575 (E_RNA)
where:
Base-Base interactions energy: -167.085
where: short stacking energy: -80.149
Base-Backbone interact. energy: -0.118
local terms energy: -87.235689
where:
bonds (distance) C4'-P energy: -13.061
bonds (distance) P-C4' energy: -19.024
flat angles C4'-P-C4' energy: -20.822
flat angles P-C4'-P energy: -13.902
tors. eta vs tors. theta energy: -20.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -247.212276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.212276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.212276 (E_RNA)
where:
Base-Base interactions energy: -162.290
where: short stacking energy: -76.140
Base-Backbone interact. energy: -0.094
local terms energy: -84.828654
where:
bonds (distance) C4'-P energy: -18.083
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -23.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -255.873372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.873372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.873372 (E_RNA)
where:
Base-Base interactions energy: -170.592
where: short stacking energy: -84.380
Base-Backbone interact. energy: -0.607
local terms energy: -84.673699
where:
bonds (distance) C4'-P energy: -18.223
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -17.409
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -25.632
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: 10
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -244.161857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.161857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.161857 (E_RNA)
where:
Base-Base interactions energy: -152.653
where: short stacking energy: -77.483
Base-Backbone interact. energy: -0.187
local terms energy: -91.321738
where:
bonds (distance) C4'-P energy: -17.588
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -20.725
flat angles P-C4'-P energy: -11.331
tors. eta vs tors. theta energy: -23.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -231.376383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.376383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.376383 (E_RNA)
where:
Base-Base interactions energy: -153.063
where: short stacking energy: -69.114
Base-Backbone interact. energy: -0.092
local terms energy: -78.221762
where:
bonds (distance) C4'-P energy: -17.317
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -20.286
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -17.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -229.063440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.063440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.063440 (E_RNA)
where:
Base-Base interactions energy: -142.997
where: short stacking energy: -68.362
Base-Backbone interact. energy: -0.415
local terms energy: -85.651280
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -19.032
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -23.888
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: 3
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -115.857084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.857084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.857084 (E_RNA)
where:
Base-Base interactions energy: -44.879
where: short stacking energy: -29.806
Base-Backbone interact. energy: -0.099
local terms energy: -70.878502
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -8.935
tors. eta vs tors. theta energy: -12.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -101.471781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.471781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.471781 (E_RNA)
where:
Base-Base interactions energy: -39.485
where: short stacking energy: -39.485
Base-Backbone interact. energy: -0.211
local terms energy: -61.775303
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -15.486
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -4.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -87.722504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.722504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.722504 (E_RNA)
where:
Base-Base interactions energy: -34.674
where: short stacking energy: -34.674
Base-Backbone interact. energy: -0.114
local terms energy: -52.935094
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -13.330
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -10.459
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: 10, replica: 1
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -85.346944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.346944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.346944 (E_RNA)
where:
Base-Base interactions energy: -30.900
where: short stacking energy: -24.628
Base-Backbone interact. energy: -0.218
local terms energy: -54.229375
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -11.320
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: -3.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -263.036899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.036899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.036899 (E_RNA)
where:
Base-Base interactions energy: -171.091
where: short stacking energy: -80.989
Base-Backbone interact. energy: 0.076
local terms energy: -92.021787
where:
bonds (distance) C4'-P energy: -18.226
bonds (distance) P-C4' energy: -17.691
flat angles C4'-P-C4' energy: -19.647
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: -25.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -247.935538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.935538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.935538 (E_RNA)
where:
Base-Base interactions energy: -165.645
where: short stacking energy: -83.566
Base-Backbone interact. energy: -0.077
local terms energy: -82.213465
where:
bonds (distance) C4'-P energy: -16.600
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -19.264
flat angles P-C4'-P energy: -4.324
tors. eta vs tors. theta energy: -25.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -243.334081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.334081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.334081 (E_RNA)
where:
Base-Base interactions energy: -158.482
where: short stacking energy: -72.551
Base-Backbone interact. energy: -1.726
local terms energy: -83.125384
where:
bonds (distance) C4'-P energy: -18.193
bonds (distance) P-C4' energy: -13.309
flat angles C4'-P-C4' energy: -18.451
flat angles P-C4'-P energy: -8.251
tors. eta vs tors. theta energy: -24.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -247.881884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.881884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.881884 (E_RNA)
where:
Base-Base interactions energy: -161.408
where: short stacking energy: -78.634
Base-Backbone interact. energy: -0.126
local terms energy: -86.347654
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -13.319
tors. eta vs tors. theta energy: -24.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -247.494601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.494601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.494601 (E_RNA)
where:
Base-Base interactions energy: -161.763
where: short stacking energy: -72.875
Base-Backbone interact. energy: -0.009
local terms energy: -85.722811
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -18.627
flat angles C4'-P-C4' energy: -18.075
flat angles P-C4'-P energy: -10.948
tors. eta vs tors. theta energy: -21.742
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: 6
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -194.567843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.567843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.567843 (E_RNA)
where:
Base-Base interactions energy: -130.197
where: short stacking energy: -58.844
Base-Backbone interact. energy: -0.022
local terms energy: -64.349287
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -11.021
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -9.458
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: 7, replica: 7
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -100.069495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.069495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.069495 (E_RNA)
where:
Base-Base interactions energy: -29.861
where: short stacking energy: -29.861
Base-Backbone interact. energy: -0.214
local terms energy: -69.994746
where:
bonds (distance) C4'-P energy: -16.310
bonds (distance) P-C4' energy: -20.212
flat angles C4'-P-C4' energy: -18.168
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -6.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -109.717250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.717250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.717250 (E_RNA)
where:
Base-Base interactions energy: -47.287
where: short stacking energy: -35.714
Base-Backbone interact. energy: -0.201
local terms energy: -62.230003
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -17.740
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -7.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -95.748707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.748707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.748707 (E_RNA)
where:
Base-Base interactions energy: -40.306
where: short stacking energy: -37.648
Base-Backbone interact. energy: -0.220
local terms energy: -55.222862
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -12.754
flat angles C4'-P-C4' energy: -10.607
flat angles P-C4'-P energy: -12.983
tors. eta vs tors. theta energy: -2.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -102.633879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.633879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.633879 (E_RNA)
where:
Base-Base interactions energy: -49.193
where: short stacking energy: -36.076
Base-Backbone interact. energy: -0.060
local terms energy: -53.381505
where:
bonds (distance) C4'-P energy: -7.130
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -11.888
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -10.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -266.195299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.195299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.195299 (E_RNA)
where:
Base-Base interactions energy: -174.174
where: short stacking energy: -85.823
Base-Backbone interact. energy: -0.003
local terms energy: -92.018284
where:
bonds (distance) C4'-P energy: -16.673
bonds (distance) P-C4' energy: -19.287
flat angles C4'-P-C4' energy: -17.706
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -28.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -256.410794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.410794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.410794 (E_RNA)
where:
Base-Base interactions energy: -165.822
where: short stacking energy: -81.839
Base-Backbone interact. energy: -0.571
local terms energy: -90.017568
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -13.999
flat angles C4'-P-C4' energy: -21.149
flat angles P-C4'-P energy: -12.635
tors. eta vs tors. theta energy: -27.154
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: 10
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -244.185290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.185290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.185290 (E_RNA)
where:
Base-Base interactions energy: -155.127
where: short stacking energy: -80.033
Base-Backbone interact. energy: -0.077
local terms energy: -88.981930
where:
bonds (distance) C4'-P energy: -16.860
bonds (distance) P-C4' energy: -13.147
flat angles C4'-P-C4' energy: -19.069
flat angles P-C4'-P energy: -16.177
tors. eta vs tors. theta energy: -23.728
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: 4
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -250.247133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.247133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.247133 (E_RNA)
where:
Base-Base interactions energy: -168.100
where: short stacking energy: -73.308
Base-Backbone interact. energy: -0.021
local terms energy: -82.126623
where:
bonds (distance) C4'-P energy: -18.073
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -12.679
tors. eta vs tors. theta energy: -22.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -212.843278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.843278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.843278 (E_RNA)
where:
Base-Base interactions energy: -141.426
where: short stacking energy: -68.250
Base-Backbone interact. energy: -0.035
local terms energy: -71.382497
where:
bonds (distance) C4'-P energy: -9.623
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -19.033
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: -19.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -235.102432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.102432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.102432 (E_RNA)
where:
Base-Base interactions energy: -150.066
where: short stacking energy: -67.061
Base-Backbone interact. energy: -0.044
local terms energy: -84.992223
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -12.800
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: 7, replica: 7
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -111.896501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.896501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.896501 (E_RNA)
where:
Base-Base interactions energy: -64.085
where: short stacking energy: -36.720
Base-Backbone interact. energy: -0.129
local terms energy: -47.682730
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -9.450
flat angles C4'-P-C4' energy: -17.244
flat angles P-C4'-P energy: -5.837
tors. eta vs tors. theta energy: -2.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -88.776377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.776377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.776377 (E_RNA)
where:
Base-Base interactions energy: -39.327
where: short stacking energy: -35.985
Base-Backbone interact. energy: -2.397
local terms energy: -47.052660
where:
bonds (distance) C4'-P energy: -17.965
bonds (distance) P-C4' energy: -11.281
flat angles C4'-P-C4' energy: -9.987
flat angles P-C4'-P energy: -6.544
tors. eta vs tors. theta energy: -1.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -88.217602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.217602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.217602 (E_RNA)
where:
Base-Base interactions energy: -41.433
where: short stacking energy: -23.123
Base-Backbone interact. energy: 1.867
local terms energy: -48.652030
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -10.649
flat angles P-C4'-P energy: -6.046
tors. eta vs tors. theta energy: 1.777
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: 10, replica: 8
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -81.721814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.721814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.721814 (E_RNA)
where:
Base-Base interactions energy: -28.119
where: short stacking energy: -25.485
Base-Backbone interact. energy: -0.364
local terms energy: -53.239429
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -11.415
flat angles P-C4'-P energy: -6.604
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: 5
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -263.650198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.650198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.650198 (E_RNA)
where:
Base-Base interactions energy: -172.367
where: short stacking energy: -79.547
Base-Backbone interact. energy: -0.341
local terms energy: -90.942003
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -20.274
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -27.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -266.390368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.390368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.390368 (E_RNA)
where:
Base-Base interactions energy: -174.450
where: short stacking energy: -84.608
Base-Backbone interact. energy: -0.473
local terms energy: -91.467653
where:
bonds (distance) C4'-P energy: -15.968
bonds (distance) P-C4' energy: -17.644
flat angles C4'-P-C4' energy: -16.923
flat angles P-C4'-P energy: -13.426
tors. eta vs tors. theta energy: -27.507
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: 4
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -249.416255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.416255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.416255 (E_RNA)
where:
Base-Base interactions energy: -158.981
where: short stacking energy: -73.316
Base-Backbone interact. energy: -0.012
local terms energy: -90.423424
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -20.208
flat angles C4'-P-C4' energy: -17.480
flat angles P-C4'-P energy: -14.941
tors. eta vs tors. theta energy: -25.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -248.188613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.188613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.188613 (E_RNA)
where:
Base-Base interactions energy: -167.325
where: short stacking energy: -79.292
Base-Backbone interact. energy: -0.121
local terms energy: -80.742615
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -18.814
flat angles P-C4'-P energy: -11.610
tors. eta vs tors. theta energy: -21.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -234.785330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.785330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.785330 (E_RNA)
where:
Base-Base interactions energy: -150.869
where: short stacking energy: -68.402
Base-Backbone interact. energy: -0.047
local terms energy: -83.869181
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -18.371
flat angles C4'-P-C4' energy: -18.812
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -21.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -211.632137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.632137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.632137 (E_RNA)
where:
Base-Base interactions energy: -132.993
where: short stacking energy: -62.942
Base-Backbone interact. energy: -0.686
local terms energy: -77.953279
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -17.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -111.210012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.210012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.210012 (E_RNA)
where:
Base-Base interactions energy: -42.750
where: short stacking energy: -40.687
Base-Backbone interact. energy: -0.263
local terms energy: -68.197127
where:
bonds (distance) C4'-P energy: -14.329
bonds (distance) P-C4' energy: -12.636
flat angles C4'-P-C4' energy: -17.890
flat angles P-C4'-P energy: -12.142
tors. eta vs tors. theta energy: -11.201
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: 7
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -100.773002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.773002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.773002 (E_RNA)
where:
Base-Base interactions energy: -37.088
where: short stacking energy: -35.052
Base-Backbone interact. energy: -0.042
local terms energy: -63.643183
where:
bonds (distance) C4'-P energy: -17.804
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -7.647
tors. eta vs tors. theta energy: -5.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -86.440820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.440820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.440820 (E_RNA)
where:
Base-Base interactions energy: -29.789
where: short stacking energy: -29.210
Base-Backbone interact. energy: 0.398
local terms energy: -57.049918
where:
bonds (distance) C4'-P energy: -16.830
bonds (distance) P-C4' energy: -12.579
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -1.853
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: 3
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -92.850178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.850178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.850178 (E_RNA)
where:
Base-Base interactions energy: -34.108
where: short stacking energy: -30.011
Base-Backbone interact. energy: -0.066
local terms energy: -58.676607
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -8.616
tors. eta vs tors. theta energy: -3.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -259.363233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.363233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.363233 (E_RNA)
where:
Base-Base interactions energy: -171.086
where: short stacking energy: -87.579
Base-Backbone interact. energy: -0.150
local terms energy: -88.127220
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -18.075
flat angles C4'-P-C4' energy: -17.507
flat angles P-C4'-P energy: -13.547
tors. eta vs tors. theta energy: -22.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -254.303353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.303353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.303353 (E_RNA)
where:
Base-Base interactions energy: -169.969
where: short stacking energy: -84.747
Base-Backbone interact. energy: -0.083
local terms energy: -84.252087
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -14.285
flat angles C4'-P-C4' energy: -20.243
flat angles P-C4'-P energy: -13.317
tors. eta vs tors. theta energy: -24.287
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: 2
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -261.930450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.930450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.930450 (E_RNA)
where:
Base-Base interactions energy: -173.867
where: short stacking energy: -77.213
Base-Backbone interact. energy: 2.682
local terms energy: -90.745920
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -17.972
flat angles P-C4'-P energy: -11.846
tors. eta vs tors. theta energy: -25.843
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: 6
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -243.734665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.734665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.734665 (E_RNA)
where:
Base-Base interactions energy: -153.913
where: short stacking energy: -78.707
Base-Backbone interact. energy: -0.158
local terms energy: -89.664226
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -19.344
flat angles P-C4'-P energy: -16.374
tors. eta vs tors. theta energy: -24.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -235.855850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.855850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.855850 (E_RNA)
where:
Base-Base interactions energy: -160.043
where: short stacking energy: -78.782
Base-Backbone interact. energy: -0.009
local terms energy: -75.803709
where:
bonds (distance) C4'-P energy: -8.931
bonds (distance) P-C4' energy: -15.890
flat angles C4'-P-C4' energy: -18.892
flat angles P-C4'-P energy: -7.390
tors. eta vs tors. theta energy: -24.701
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: 229
Temperature: 1.150000
Total energy: -226.602050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.602050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.602050 (E_RNA)
where:
Base-Base interactions energy: -143.024
where: short stacking energy: -69.918
Base-Backbone interact. energy: -0.056
local terms energy: -83.521599
where:
bonds (distance) C4'-P energy: -15.957
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -18.932
flat angles P-C4'-P energy: -13.172
tors. eta vs tors. theta energy: -19.561
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: 1
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -91.034606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.034606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.034606 (E_RNA)
where:
Base-Base interactions energy: -34.788
where: short stacking energy: -27.144
Base-Backbone interact. energy: -0.315
local terms energy: -55.932434
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -9.650
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -6.710
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: 8
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -97.862034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.862034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.862034 (E_RNA)
where:
Base-Base interactions energy: -47.164
where: short stacking energy: -30.802
Base-Backbone interact. energy: 0.510
local terms energy: -51.208605
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -18.131
flat angles C4'-P-C4' energy: -10.589
flat angles P-C4'-P energy: -6.771
tors. eta vs tors. theta energy: -0.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -82.030418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.030418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.030418 (E_RNA)
where:
Base-Base interactions energy: -29.626
where: short stacking energy: -29.626
Base-Backbone interact. energy: -0.419
local terms energy: -51.985510
where:
bonds (distance) C4'-P energy: -19.112
bonds (distance) P-C4' energy: -11.521
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -3.324
tors. eta vs tors. theta energy: -3.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -82.497055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.497055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.497055 (E_RNA)
where:
Base-Base interactions energy: -33.447
where: short stacking energy: -28.759
Base-Backbone interact. energy: 0.263
local terms energy: -49.313165
where:
bonds (distance) C4'-P energy: -10.358
bonds (distance) P-C4' energy: -17.625
flat angles C4'-P-C4' energy: -10.578
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: -1.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -256.473484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.473484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.473484 (E_RNA)
where:
Base-Base interactions energy: -165.077
where: short stacking energy: -84.129
Base-Backbone interact. energy: -0.431
local terms energy: -90.965090
where:
bonds (distance) C4'-P energy: -16.432
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -20.089
flat angles P-C4'-P energy: -14.225
tors. eta vs tors. theta energy: -24.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -261.985370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.985370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.985370 (E_RNA)
where:
Base-Base interactions energy: -171.048
where: short stacking energy: -75.226
Base-Backbone interact. energy: -0.111
local terms energy: -90.826158
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -18.322
flat angles C4'-P-C4' energy: -17.744
flat angles P-C4'-P energy: -12.093
tors. eta vs tors. theta energy: -26.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -251.499794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.499794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.499794 (E_RNA)
where:
Base-Base interactions energy: -160.951
where: short stacking energy: -74.524
Base-Backbone interact. energy: -0.036
local terms energy: -90.512538
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -20.193
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -27.056
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: 6
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -232.546343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.546343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.546343 (E_RNA)
where:
Base-Base interactions energy: -147.122
where: short stacking energy: -73.417
Base-Backbone interact. energy: -0.006
local terms energy: -85.418214
where:
bonds (distance) C4'-P energy: -19.708
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -17.960
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -20.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -252.808931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.808931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.808931 (E_RNA)
where:
Base-Base interactions energy: -169.635
where: short stacking energy: -76.436
Base-Backbone interact. energy: -0.004
local terms energy: -83.169657
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -18.421
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -22.550
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: 9
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -239.344072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.344072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.344072 (E_RNA)
where:
Base-Base interactions energy: -158.270
where: short stacking energy: -77.957
Base-Backbone interact. energy: -0.111
local terms energy: -80.963432
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -10.651
tors. eta vs tors. theta energy: -24.751
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: 7, replica: 8
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -102.702180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.702180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.702180 (E_RNA)
where:
Base-Base interactions energy: -38.128
where: short stacking energy: -37.435
Base-Backbone interact. energy: -0.083
local terms energy: -64.490544
where:
bonds (distance) C4'-P energy: -15.388
bonds (distance) P-C4' energy: -17.525
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -9.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -99.579496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.579496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.579496 (E_RNA)
where:
Base-Base interactions energy: -39.743
where: short stacking energy: -24.293
Base-Backbone interact. energy: 0.303
local terms energy: -60.139575
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -18.883
flat angles C4'-P-C4' energy: -17.499
flat angles P-C4'-P energy: -4.551
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: 3
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -77.543466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.543466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.543466 (E_RNA)
where:
Base-Base interactions energy: -26.466
where: short stacking energy: -22.378
Base-Backbone interact. energy: -0.196
local terms energy: -50.881836
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -10.752
flat angles P-C4'-P energy: -15.507
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: 10, replica: 7
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -98.052459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.052459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.052459 (E_RNA)
where:
Base-Base interactions energy: -43.852
where: short stacking energy: -22.142
Base-Backbone interact. energy: -0.033
local terms energy: -54.168288
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -12.278
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -3.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -272.022969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.022969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.022969 (E_RNA)
where:
Base-Base interactions energy: -178.829
where: short stacking energy: -88.741
Base-Backbone interact. energy: -0.124
local terms energy: -93.070597
where:
bonds (distance) C4'-P energy: -16.142
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -18.865
flat angles P-C4'-P energy: -14.934
tors. eta vs tors. theta energy: -25.424
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: 2
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -252.150108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.150108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.150108 (E_RNA)
where:
Base-Base interactions energy: -165.987
where: short stacking energy: -78.523
Base-Backbone interact. energy: -0.069
local terms energy: -86.093502
where:
bonds (distance) C4'-P energy: -17.076
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -13.447
tors. eta vs tors. theta energy: -25.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -241.457702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.457702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.457702 (E_RNA)
where:
Base-Base interactions energy: -153.611
where: short stacking energy: -77.130
Base-Backbone interact. energy: -0.035
local terms energy: -87.812277
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -17.443
flat angles P-C4'-P energy: -12.919
tors. eta vs tors. theta energy: -23.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -252.951753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.951753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.951753 (E_RNA)
where:
Base-Base interactions energy: -174.375
where: short stacking energy: -78.980
Base-Backbone interact. energy: -0.045
local terms energy: -78.531743
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -17.134
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -23.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -224.602613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.602613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.602613 (E_RNA)
where:
Base-Base interactions energy: -140.698
where: short stacking energy: -54.979
Base-Backbone interact. energy: -0.215
local terms energy: -83.689728
where:
bonds (distance) C4'-P energy: -18.595
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -11.864
tors. eta vs tors. theta energy: -20.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -219.330187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.330187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.330187 (E_RNA)
where:
Base-Base interactions energy: -146.693
where: short stacking energy: -70.176
Base-Backbone interact. energy: -0.112
local terms energy: -72.524921
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -11.056
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -23.358
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: 231
Temperature: 1.200000
Total energy: -105.118417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.118417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.118417 (E_RNA)
where:
Base-Base interactions energy: -45.050
where: short stacking energy: -38.531
Base-Backbone interact. energy: -0.306
local terms energy: -59.762674
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -6.166
tors. eta vs tors. theta energy: -4.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -96.961846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.961846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.961846 (E_RNA)
where:
Base-Base interactions energy: -39.827
where: short stacking energy: -39.827
Base-Backbone interact. energy: -0.074
local terms energy: -57.061454
where:
bonds (distance) C4'-P energy: -13.053
bonds (distance) P-C4' energy: -12.477
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -7.447
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: 1
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -90.740840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.740840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.740840 (E_RNA)
where:
Base-Base interactions energy: -32.814
where: short stacking energy: -24.488
Base-Backbone interact. energy: -0.104
local terms energy: -57.822382
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -13.004
flat angles P-C4'-P energy: -13.841
tors. eta vs tors. theta energy: -1.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -79.964226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.964226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.964226 (E_RNA)
where:
Base-Base interactions energy: -24.049
where: short stacking energy: -24.049
Base-Backbone interact. energy: -0.281
local terms energy: -55.633920
where:
bonds (distance) C4'-P energy: -11.611
bonds (distance) P-C4' energy: -20.824
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -5.307
tors. eta vs tors. theta energy: -5.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -265.755615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.755615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.755615 (E_RNA)
where:
Base-Base interactions energy: -177.863
where: short stacking energy: -90.054
Base-Backbone interact. energy: -0.016
local terms energy: -87.877103
where:
bonds (distance) C4'-P energy: -17.845
bonds (distance) P-C4' energy: -10.446
flat angles C4'-P-C4' energy: -19.651
flat angles P-C4'-P energy: -14.432
tors. eta vs tors. theta energy: -25.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -254.178519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.178519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.178519 (E_RNA)
where:
Base-Base interactions energy: -167.439
where: short stacking energy: -78.625
Base-Backbone interact. energy: -0.005
local terms energy: -86.734311
where:
bonds (distance) C4'-P energy: -18.275
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -12.086
tors. eta vs tors. theta energy: -23.285
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: 3, replica: 6
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -238.614158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.614158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.614158 (E_RNA)
where:
Base-Base interactions energy: -162.499
where: short stacking energy: -72.015
Base-Backbone interact. energy: -0.092
local terms energy: -76.023778
where:
bonds (distance) C4'-P energy: -16.735
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -19.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -237.979778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.979778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.979778 (E_RNA)
where:
Base-Base interactions energy: -164.410
where: short stacking energy: -70.647
Base-Backbone interact. energy: -0.451
local terms energy: -73.118717
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -18.283
flat angles P-C4'-P energy: -4.278
tors. eta vs tors. theta energy: -22.422
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: 232
Temperature: 1.100000
Total energy: -238.812531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.812531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.812531 (E_RNA)
where:
Base-Base interactions energy: -157.784
where: short stacking energy: -77.456
Base-Backbone interact. energy: -0.009
local terms energy: -81.019565
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -17.905
flat angles C4'-P-C4' energy: -19.343
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -20.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -235.778742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.778742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.778742 (E_RNA)
where:
Base-Base interactions energy: -156.107
where: short stacking energy: -70.136
Base-Backbone interact. energy: -0.029
local terms energy: -79.643140
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -7.664
tors. eta vs tors. theta energy: -24.249
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: 7, replica: 3
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -105.830376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.830376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.830376 (E_RNA)
where:
Base-Base interactions energy: -44.792
where: short stacking energy: -29.402
Base-Backbone interact. energy: -0.107
local terms energy: -60.930627
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -11.832
flat angles P-C4'-P energy: -12.217
tors. eta vs tors. theta energy: -7.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -106.417905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.417905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.417905 (E_RNA)
where:
Base-Base interactions energy: -47.542
where: short stacking energy: -37.735
Base-Backbone interact. energy: -0.282
local terms energy: -58.594755
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -13.443
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -7.990
tors. eta vs tors. theta energy: -6.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -92.540554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.540554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.540554 (E_RNA)
where:
Base-Base interactions energy: -34.284
where: short stacking energy: -26.958
Base-Backbone interact. energy: -0.350
local terms energy: -57.906476
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -16.659
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -11.276
tors. eta vs tors. theta energy: -5.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -81.087761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.087761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.087761 (E_RNA)
where:
Base-Base interactions energy: -20.884
where: short stacking energy: -14.099
Base-Backbone interact. energy: 0.887
local terms energy: -61.090526
where:
bonds (distance) C4'-P energy: -16.182
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -12.844
flat angles P-C4'-P energy: -15.495
tors. eta vs tors. theta energy: 2.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -261.262293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.262293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.262293 (E_RNA)
where:
Base-Base interactions energy: -170.746
where: short stacking energy: -83.733
Base-Backbone interact. energy: -0.008
local terms energy: -90.507629
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -18.181
flat angles P-C4'-P energy: -12.636
tors. eta vs tors. theta energy: -24.556
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: 6
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -251.899072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.899072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.899072 (E_RNA)
where:
Base-Base interactions energy: -165.483
where: short stacking energy: -74.190
Base-Backbone interact. energy: -0.257
local terms energy: -86.158878
where:
bonds (distance) C4'-P energy: -16.073
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -18.213
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: -24.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -252.989144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.989144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.989144 (E_RNA)
where:
Base-Base interactions energy: -162.492
where: short stacking energy: -82.690
Base-Backbone interact. energy: -0.013
local terms energy: -90.483990
where:
bonds (distance) C4'-P energy: -18.412
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -17.663
flat angles P-C4'-P energy: -14.441
tors. eta vs tors. theta energy: -22.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -248.244192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.244192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.244192 (E_RNA)
where:
Base-Base interactions energy: -160.055
where: short stacking energy: -82.315
Base-Backbone interact. energy: -0.004
local terms energy: -88.184910
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -19.019
flat angles C4'-P-C4' energy: -18.777
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -25.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -243.468496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.468496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.468496 (E_RNA)
where:
Base-Base interactions energy: -160.425
where: short stacking energy: -78.767
Base-Backbone interact. energy: -0.007
local terms energy: -83.035642
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -14.999
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -14.672
tors. eta vs tors. theta energy: -26.114
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: 10
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -227.791918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.791918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.791918 (E_RNA)
where:
Base-Base interactions energy: -154.856
where: short stacking energy: -67.975
Base-Backbone interact. energy: -0.129
local terms energy: -72.806762
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -11.893
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -21.047
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: 3
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -95.162257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.162257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.162257 (E_RNA)
where:
Base-Base interactions energy: -37.077
where: short stacking energy: -31.764
Base-Backbone interact. energy: -0.048
local terms energy: -58.036770
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -7.345
tors. eta vs tors. theta energy: -6.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -102.999941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.999941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.999941 (E_RNA)
where:
Base-Base interactions energy: -47.697
where: short stacking energy: -27.953
Base-Backbone interact. energy: -0.321
local terms energy: -54.982789
where:
bonds (distance) C4'-P energy: -11.941
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -12.405
tors. eta vs tors. theta energy: -0.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -96.083197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.083197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.083197 (E_RNA)
where:
Base-Base interactions energy: -35.377
where: short stacking energy: -35.377
Base-Backbone interact. energy: 0.004
local terms energy: -60.710652
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -17.594
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -4.290
tors. eta vs tors. theta energy: -9.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -82.586556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.586556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.586556 (E_RNA)
where:
Base-Base interactions energy: -25.163
where: short stacking energy: -20.484
Base-Backbone interact. energy: -0.452
local terms energy: -56.971388
where:
bonds (distance) C4'-P energy: -14.813
bonds (distance) P-C4' energy: -19.190
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -4.719
tors. eta vs tors. theta energy: -1.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -261.537720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.537720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.537720 (E_RNA)
where:
Base-Base interactions energy: -177.681
where: short stacking energy: -86.139
Base-Backbone interact. energy: -0.605
local terms energy: -83.251677
where:
bonds (distance) C4'-P energy: -19.788
bonds (distance) P-C4' energy: -13.779
flat angles C4'-P-C4' energy: -17.100
flat angles P-C4'-P energy: -5.339
tors. eta vs tors. theta energy: -27.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -264.240941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.240941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.240941 (E_RNA)
where:
Base-Base interactions energy: -181.026
where: short stacking energy: -87.687
Base-Backbone interact. energy: -0.687
local terms energy: -82.528102
where:
bonds (distance) C4'-P energy: -10.547
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -17.395
flat angles P-C4'-P energy: -13.960
tors. eta vs tors. theta energy: -26.093
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: 9
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -264.606328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.606328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.606328 (E_RNA)
where:
Base-Base interactions energy: -176.436
where: short stacking energy: -83.237
Base-Backbone interact. energy: 0.329
local terms energy: -88.499654
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -18.153
flat angles P-C4'-P energy: -14.862
tors. eta vs tors. theta energy: -26.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -237.783124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.783124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.783124 (E_RNA)
where:
Base-Base interactions energy: -161.281
where: short stacking energy: -77.103
Base-Backbone interact. energy: -0.042
local terms energy: -76.459516
where:
bonds (distance) C4'-P energy: -11.115
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -16.914
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -22.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -238.755732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.755732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.755732 (E_RNA)
where:
Base-Base interactions energy: -159.522
where: short stacking energy: -72.548
Base-Backbone interact. energy: -0.641
local terms energy: -78.592745
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -11.600
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -22.905
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: 10
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -232.492538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.492538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.492538 (E_RNA)
where:
Base-Base interactions energy: -148.366
where: short stacking energy: -66.633
Base-Backbone interact. energy: -0.641
local terms energy: -83.485113
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -17.602
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -14.175
tors. eta vs tors. theta energy: -20.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -101.394284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.394284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.394284 (E_RNA)
where:
Base-Base interactions energy: -37.747
where: short stacking energy: -35.311
Base-Backbone interact. energy: -0.141
local terms energy: -63.506758
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -13.300
flat angles C4'-P-C4' energy: -18.046
flat angles P-C4'-P energy: -7.267
tors. eta vs tors. theta energy: -7.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -95.791080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.791080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.791080 (E_RNA)
where:
Base-Base interactions energy: -41.413
where: short stacking energy: -32.592
Base-Backbone interact. energy: 0.018
local terms energy: -54.395614
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -13.284
flat angles C4'-P-C4' energy: -11.874
flat angles P-C4'-P energy: -4.950
tors. eta vs tors. theta energy: -9.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -92.015340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.015340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.015340 (E_RNA)
where:
Base-Base interactions energy: -33.624
where: short stacking energy: -23.794
Base-Backbone interact. energy: 0.163
local terms energy: -58.554801
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -15.858
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -1.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -77.643568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.643568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.643568 (E_RNA)
where:
Base-Base interactions energy: -32.214
where: short stacking energy: -32.214
Base-Backbone interact. energy: -0.899
local terms energy: -44.530693
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -7.680
flat angles P-C4'-P energy: -4.515
tors. eta vs tors. theta energy: -4.220
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: 6
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -271.446202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.446202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.446202 (E_RNA)
where:
Base-Base interactions energy: -179.833
where: short stacking energy: -85.118
Base-Backbone interact. energy: -0.006
local terms energy: -91.607166
where:
bonds (distance) C4'-P energy: -11.445
bonds (distance) P-C4' energy: -17.927
flat angles C4'-P-C4' energy: -21.300
flat angles P-C4'-P energy: -13.948
tors. eta vs tors. theta energy: -26.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -244.212896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.212896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.212896 (E_RNA)
where:
Base-Base interactions energy: -161.825
where: short stacking energy: -76.439
Base-Backbone interact. energy: -0.261
local terms energy: -82.126794
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -19.156
flat angles C4'-P-C4' energy: -17.781
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -20.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -259.532454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.532454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.532454 (E_RNA)
where:
Base-Base interactions energy: -169.252
where: short stacking energy: -75.200
Base-Backbone interact. energy: -0.107
local terms energy: -90.173366
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -18.756
flat angles P-C4'-P energy: -15.108
tors. eta vs tors. theta energy: -24.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -238.833603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.833603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.833603 (E_RNA)
where:
Base-Base interactions energy: -155.030
where: short stacking energy: -72.888
Base-Backbone interact. energy: -0.084
local terms energy: -83.720123
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -11.597
flat angles C4'-P-C4' energy: -19.563
flat angles P-C4'-P energy: -12.757
tors. eta vs tors. theta energy: -22.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -243.167855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.167855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.167855 (E_RNA)
where:
Base-Base interactions energy: -161.682
where: short stacking energy: -68.617
Base-Backbone interact. energy: 0.002
local terms energy: -81.488493
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -17.064
flat angles C4'-P-C4' energy: -17.041
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -21.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -241.768844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.768844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.768844 (E_RNA)
where:
Base-Base interactions energy: -149.947
where: short stacking energy: -73.643
Base-Backbone interact. energy: -0.017
local terms energy: -91.804408
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -16.933
flat angles P-C4'-P energy: -16.205
tors. eta vs tors. theta energy: -25.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -119.969580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.969580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.969580 (E_RNA)
where:
Base-Base interactions energy: -59.165
where: short stacking energy: -28.137
Base-Backbone interact. energy: -0.343
local terms energy: -60.461752
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -11.954
flat angles P-C4'-P energy: -9.537
tors. eta vs tors. theta energy: -4.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -93.737272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.737272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.737272 (E_RNA)
where:
Base-Base interactions energy: -40.820
where: short stacking energy: -22.175
Base-Backbone interact. energy: -0.618
local terms energy: -52.298777
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -7.605
tors. eta vs tors. theta energy: 2.118
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: 9, replica: 3
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -80.977670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.977670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.977670 (E_RNA)
where:
Base-Base interactions energy: -30.732
where: short stacking energy: -30.732
Base-Backbone interact. energy: -0.160
local terms energy: -50.084997
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -13.947
flat angles C4'-P-C4' energy: -9.925
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: -3.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -89.762213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.762213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.762213 (E_RNA)
where:
Base-Base interactions energy: -39.079
where: short stacking energy: -28.011
Base-Backbone interact. energy: 1.141
local terms energy: -51.824027
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -11.411
flat angles C4'-P-C4' energy: -8.475
flat angles P-C4'-P energy: -15.443
tors. eta vs tors. theta energy: -2.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -251.859691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.859691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.859691 (E_RNA)
where:
Base-Base interactions energy: -163.201
where: short stacking energy: -82.184
Base-Backbone interact. energy: -0.104
local terms energy: -88.555597
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -19.446
flat angles C4'-P-C4' energy: -17.116
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -24.412
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: 2, replica: 6
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -264.639475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.639475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.639475 (E_RNA)
where:
Base-Base interactions energy: -176.813
where: short stacking energy: -79.390
Base-Backbone interact. energy: -0.030
local terms energy: -87.796235
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -15.080
tors. eta vs tors. theta energy: -23.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -251.280822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.280822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.280822 (E_RNA)
where:
Base-Base interactions energy: -160.519
where: short stacking energy: -76.008
Base-Backbone interact. energy: -0.008
local terms energy: -90.753341
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -18.163
flat angles C4'-P-C4' energy: -20.309
flat angles P-C4'-P energy: -13.139
tors. eta vs tors. theta energy: -22.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -240.980064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.980064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.980064 (E_RNA)
where:
Base-Base interactions energy: -152.923
where: short stacking energy: -69.513
Base-Backbone interact. energy: -0.029
local terms energy: -88.028514
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -17.025
flat angles C4'-P-C4' energy: -18.837
flat angles P-C4'-P energy: -13.639
tors. eta vs tors. theta energy: -24.156
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: 10
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -230.601441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.601441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.601441 (E_RNA)
where:
Base-Base interactions energy: -143.604
where: short stacking energy: -70.493
Base-Backbone interact. energy: 0.870
local terms energy: -87.867955
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -19.086
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -17.022
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: 6, replica: 5
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -211.024403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.024403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.024403 (E_RNA)
where:
Base-Base interactions energy: -133.871
where: short stacking energy: -50.130
Base-Backbone interact. energy: 2.035
local terms energy: -79.187753
where:
bonds (distance) C4'-P energy: -17.394
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -17.127
flat angles P-C4'-P energy: -12.117
tors. eta vs tors. theta energy: -16.819
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: 1
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -93.991277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.991277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.991277 (E_RNA)
where:
Base-Base interactions energy: -30.178
where: short stacking energy: -26.573
Base-Backbone interact. energy: -0.041
local terms energy: -63.771883
where:
bonds (distance) C4'-P energy: -15.818
bonds (distance) P-C4' energy: -16.788
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -4.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -90.028372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.028372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.028372 (E_RNA)
where:
Base-Base interactions energy: -37.673
where: short stacking energy: -27.106
Base-Backbone interact. energy: -0.181
local terms energy: -52.174323
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -16.508
flat angles C4'-P-C4' energy: -15.886
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: 0.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -80.221316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.221316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.221316 (E_RNA)
where:
Base-Base interactions energy: -40.795
where: short stacking energy: -38.732
Base-Backbone interact. energy: 2.174
local terms energy: -41.600767
where:
bonds (distance) C4'-P energy: -12.535
bonds (distance) P-C4' energy: -9.301
flat angles C4'-P-C4' energy: -10.378
flat angles P-C4'-P energy: -7.923
tors. eta vs tors. theta energy: -1.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -89.772012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.772012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.772012 (E_RNA)
where:
Base-Base interactions energy: -43.240
where: short stacking energy: -30.407
Base-Backbone interact. energy: -0.224
local terms energy: -46.307308
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -13.613
flat angles P-C4'-P energy: -3.285
tors. eta vs tors. theta energy: 0.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -253.658611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.658611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.658611 (E_RNA)
where:
Base-Base interactions energy: -165.664
where: short stacking energy: -76.714
Base-Backbone interact. energy: 0.130
local terms energy: -88.124895
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -17.415
flat angles C4'-P-C4' energy: -19.069
flat angles P-C4'-P energy: -11.897
tors. eta vs tors. theta energy: -23.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -260.942551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.942551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.942551 (E_RNA)
where:
Base-Base interactions energy: -170.526
where: short stacking energy: -73.604
Base-Backbone interact. energy: -0.353
local terms energy: -90.063415
where:
bonds (distance) C4'-P energy: -19.411
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -12.551
tors. eta vs tors. theta energy: -25.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -259.787690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.787690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.787690 (E_RNA)
where:
Base-Base interactions energy: -176.769
where: short stacking energy: -80.515
Base-Backbone interact. energy: -0.001
local terms energy: -83.018110
where:
bonds (distance) C4'-P energy: -17.272
bonds (distance) P-C4' energy: -12.275
flat angles C4'-P-C4' energy: -17.840
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -23.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -251.671417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.671417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.671417 (E_RNA)
where:
Base-Base interactions energy: -166.957
where: short stacking energy: -80.570
Base-Backbone interact. energy: -0.379
local terms energy: -84.334563
where:
bonds (distance) C4'-P energy: -18.159
bonds (distance) P-C4' energy: -15.073
flat angles C4'-P-C4' energy: -17.888
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -24.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -222.210433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.210433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.210433 (E_RNA)
where:
Base-Base interactions energy: -143.978
where: short stacking energy: -66.303
Base-Backbone interact. energy: -0.090
local terms energy: -78.142943
where:
bonds (distance) C4'-P energy: -16.621
bonds (distance) P-C4' energy: -15.597
flat angles C4'-P-C4' energy: -12.302
flat angles P-C4'-P energy: -11.584
tors. eta vs tors. theta energy: -22.040
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: 5
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -209.319023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.319023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.319023 (E_RNA)
where:
Base-Base interactions energy: -132.272
where: short stacking energy: -62.070
Base-Backbone interact. energy: -0.015
local terms energy: -77.031509
where:
bonds (distance) C4'-P energy: -17.138
bonds (distance) P-C4' energy: -10.915
flat angles C4'-P-C4' energy: -18.034
flat angles P-C4'-P energy: -15.872
tors. eta vs tors. theta energy: -15.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -106.577689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.577689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.577689 (E_RNA)
where:
Base-Base interactions energy: -40.138
where: short stacking energy: -13.080
Base-Backbone interact. energy: -0.821
local terms energy: -65.618665
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -20.585
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: -3.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -90.226711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.226711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.226711 (E_RNA)
where:
Base-Base interactions energy: -37.647
where: short stacking energy: -33.001
Base-Backbone interact. energy: -0.341
local terms energy: -52.238516
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -16.497
flat angles C4'-P-C4' energy: -10.493
flat angles P-C4'-P energy: -8.399
tors. eta vs tors. theta energy: 0.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -85.090878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.090878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.090878 (E_RNA)
where:
Base-Base interactions energy: -28.796
where: short stacking energy: -25.719
Base-Backbone interact. energy: -0.248
local terms energy: -56.047729
where:
bonds (distance) C4'-P energy: -15.172
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -11.824
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: 237
Temperature: 1.350000
Total energy: -77.837196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.837196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.837196 (E_RNA)
where:
Base-Base interactions energy: -22.055
where: short stacking energy: -22.055
Base-Backbone interact. energy: -0.188
local terms energy: -55.593844
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -16.652
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: 2.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -267.819676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.819676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.819676 (E_RNA)
where:
Base-Base interactions energy: -175.169
where: short stacking energy: -81.972
Base-Backbone interact. energy: -0.008
local terms energy: -92.642516
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -18.371
flat angles C4'-P-C4' energy: -18.002
flat angles P-C4'-P energy: -12.796
tors. eta vs tors. theta energy: -26.128
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: 9
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -260.657597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.657597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.657597 (E_RNA)
where:
Base-Base interactions energy: -168.596
where: short stacking energy: -82.821
Base-Backbone interact. energy: -3.065
local terms energy: -88.997025
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -18.365
flat angles C4'-P-C4' energy: -19.031
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -28.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -247.753449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.753449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.753449 (E_RNA)
where:
Base-Base interactions energy: -157.514
where: short stacking energy: -75.362
Base-Backbone interact. energy: -0.321
local terms energy: -89.918549
where:
bonds (distance) C4'-P energy: -17.755
bonds (distance) P-C4' energy: -19.390
flat angles C4'-P-C4' energy: -16.807
flat angles P-C4'-P energy: -13.072
tors. eta vs tors. theta energy: -22.895
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: 4, replica: 6
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -239.218662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.218662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.218662 (E_RNA)
where:
Base-Base interactions energy: -160.780
where: short stacking energy: -82.575
Base-Backbone interact. energy: 2.020
local terms energy: -80.459187
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -12.141
tors. eta vs tors. theta energy: -22.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -224.307376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.307376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.307376 (E_RNA)
where:
Base-Base interactions energy: -142.072
where: short stacking energy: -69.317
Base-Backbone interact. energy: -0.090
local terms energy: -82.145301
where:
bonds (distance) C4'-P energy: -17.347
bonds (distance) P-C4' energy: -10.745
flat angles C4'-P-C4' energy: -18.635
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -23.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -211.867285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.867285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.867285 (E_RNA)
where:
Base-Base interactions energy: -132.107
where: short stacking energy: -61.974
Base-Backbone interact. energy: -0.239
local terms energy: -79.521474
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -20.634
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -9.618
tors. eta vs tors. theta energy: -19.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -96.632368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.632368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.632368 (E_RNA)
where:
Base-Base interactions energy: -33.156
where: short stacking energy: -33.156
Base-Backbone interact. energy: -0.416
local terms energy: -63.060378
where:
bonds (distance) C4'-P energy: -17.621
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -6.596
tors. eta vs tors. theta energy: -8.163
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: 8
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -89.536190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.536190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.536190 (E_RNA)
where:
Base-Base interactions energy: -28.541
where: short stacking energy: -28.292
Base-Backbone interact. energy: -0.175
local terms energy: -60.820099
where:
bonds (distance) C4'-P energy: -18.322
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -6.431
tors. eta vs tors. theta energy: -4.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -80.521146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.521146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.521146 (E_RNA)
where:
Base-Base interactions energy: -29.782
where: short stacking energy: -26.133
Base-Backbone interact. energy: -0.129
local terms energy: -50.609689
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -17.853
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -6.043
tors. eta vs tors. theta energy: -1.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -82.354519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.354519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.354519 (E_RNA)
where:
Base-Base interactions energy: -36.784
where: short stacking energy: -26.035
Base-Backbone interact. energy: 1.736
local terms energy: -47.306158
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -9.437
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: 2.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -258.842020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.842020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.842020 (E_RNA)
where:
Base-Base interactions energy: -173.421
where: short stacking energy: -79.099
Base-Backbone interact. energy: -0.163
local terms energy: -85.257451
where:
bonds (distance) C4'-P energy: -17.532
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -19.830
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -21.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -255.959322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.959322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.959322 (E_RNA)
where:
Base-Base interactions energy: -172.689
where: short stacking energy: -81.232
Base-Backbone interact. energy: -0.692
local terms energy: -82.577903
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -17.677
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -26.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -252.987922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.987922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.987922 (E_RNA)
where:
Base-Base interactions energy: -166.023
where: short stacking energy: -74.675
Base-Backbone interact. energy: -0.017
local terms energy: -86.948224
where:
bonds (distance) C4'-P energy: -20.535
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -18.603
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -24.080
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: 6
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -244.555728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.555728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.555728 (E_RNA)
where:
Base-Base interactions energy: -156.911
where: short stacking energy: -78.247
Base-Backbone interact. energy: -0.090
local terms energy: -87.554216
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -18.945
flat angles P-C4'-P energy: -13.487
tors. eta vs tors. theta energy: -24.040
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: 2
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -216.000038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.000038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.000038 (E_RNA)
where:
Base-Base interactions energy: -144.030
where: short stacking energy: -67.532
Base-Backbone interact. energy: -0.044
local terms energy: -71.925316
where:
bonds (distance) C4'-P energy: -15.629
bonds (distance) P-C4' energy: -14.667
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -7.815
tors. eta vs tors. theta energy: -17.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -210.894584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.894584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.894584 (E_RNA)
where:
Base-Base interactions energy: -142.019
where: short stacking energy: -68.503
Base-Backbone interact. energy: -0.188
local terms energy: -68.687426
where:
bonds (distance) C4'-P energy: -19.137
bonds (distance) P-C4' energy: -10.420
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -4.890
tors. eta vs tors. theta energy: -19.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -95.040491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.040491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.040491 (E_RNA)
where:
Base-Base interactions energy: -41.989
where: short stacking energy: -29.769
Base-Backbone interact. energy: -0.201
local terms energy: -52.851139
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -17.793
flat angles C4'-P-C4' energy: -10.691
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -1.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -87.359158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.359158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.359158 (E_RNA)
where:
Base-Base interactions energy: -44.217
where: short stacking energy: -29.776
Base-Backbone interact. energy: 0.532
local terms energy: -43.674550
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -13.059
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -5.310
tors. eta vs tors. theta energy: -1.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -82.983996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.983996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.983996 (E_RNA)
where:
Base-Base interactions energy: -26.072
where: short stacking energy: -25.304
Base-Backbone interact. energy: -0.160
local terms energy: -56.752205
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -5.057
tors. eta vs tors. theta energy: -4.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -76.631050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.631050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.631050 (E_RNA)
where:
Base-Base interactions energy: -35.846
where: short stacking energy: -29.740
Base-Backbone interact. energy: -0.138
local terms energy: -40.646910
where:
bonds (distance) C4'-P energy: -11.430
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -2.888
flat angles P-C4'-P energy: -7.980
tors. eta vs tors. theta energy: -3.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -266.186879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.186879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.186879 (E_RNA)
where:
Base-Base interactions energy: -174.746
where: short stacking energy: -83.988
Base-Backbone interact. energy: -0.011
local terms energy: -91.429914
where:
bonds (distance) C4'-P energy: -19.236
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -14.813
tors. eta vs tors. theta energy: -23.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -264.136799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.136799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.136799 (E_RNA)
where:
Base-Base interactions energy: -177.826
where: short stacking energy: -84.155
Base-Backbone interact. energy: -0.026
local terms energy: -86.284628
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -14.872
flat angles C4'-P-C4' energy: -19.886
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -25.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -248.737328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.737328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.737328 (E_RNA)
where:
Base-Base interactions energy: -160.525
where: short stacking energy: -75.112
Base-Backbone interact. energy: -0.027
local terms energy: -88.185103
where:
bonds (distance) C4'-P energy: -18.367
bonds (distance) P-C4' energy: -18.581
flat angles C4'-P-C4' energy: -17.891
flat angles P-C4'-P energy: -7.985
tors. eta vs tors. theta energy: -25.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -227.127093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.127093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.127093 (E_RNA)
where:
Base-Base interactions energy: -147.427
where: short stacking energy: -65.542
Base-Backbone interact. energy: -0.006
local terms energy: -79.693898
where:
bonds (distance) C4'-P energy: -14.027
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -11.264
tors. eta vs tors. theta energy: -18.427
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: 5, replica: 5
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -216.724699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.724699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.724699 (E_RNA)
where:
Base-Base interactions energy: -138.523
where: short stacking energy: -67.437
Base-Backbone interact. energy: -0.417
local terms energy: -77.784267
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -16.958
flat angles C4'-P-C4' energy: -18.954
flat angles P-C4'-P energy: -11.962
tors. eta vs tors. theta energy: -16.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -208.688147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.688147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.688147 (E_RNA)
where:
Base-Base interactions energy: -135.484
where: short stacking energy: -64.197
Base-Backbone interact. energy: -0.361
local terms energy: -72.843223
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -17.199
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -16.439
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: 1
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -95.371260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.371260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.371260 (E_RNA)
where:
Base-Base interactions energy: -32.627
where: short stacking energy: -28.332
Base-Backbone interact. energy: 0.798
local terms energy: -63.541374
where:
bonds (distance) C4'-P energy: -20.189
bonds (distance) P-C4' energy: -14.898
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -4.685
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: 8, replica: 3
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -106.192814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.192814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.192814 (E_RNA)
where:
Base-Base interactions energy: -39.847
where: short stacking energy: -30.636
Base-Backbone interact. energy: -0.570
local terms energy: -65.775162
where:
bonds (distance) C4'-P energy: -19.643
bonds (distance) P-C4' energy: -11.815
flat angles C4'-P-C4' energy: -18.952
flat angles P-C4'-P energy: -13.680
tors. eta vs tors. theta energy: -1.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -104.708731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.708731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.708731 (E_RNA)
where:
Base-Base interactions energy: -41.861
where: short stacking energy: -41.861
Base-Backbone interact. energy: -0.405
local terms energy: -62.443122
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -16.151
flat angles C4'-P-C4' energy: -18.119
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -4.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -77.229020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.229020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.229020 (E_RNA)
where:
Base-Base interactions energy: -26.993
where: short stacking energy: -24.318
Base-Backbone interact. energy: 0.596
local terms energy: -50.831707
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -9.356
flat angles P-C4'-P energy: -9.234
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: 10
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -265.588829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.588829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.588829 (E_RNA)
where:
Base-Base interactions energy: -175.386
where: short stacking energy: -83.897
Base-Backbone interact. energy: -0.272
local terms energy: -89.931670
where:
bonds (distance) C4'-P energy: -13.844
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -14.194
tors. eta vs tors. theta energy: -28.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -265.706042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.706042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.706042 (E_RNA)
where:
Base-Base interactions energy: -169.649
where: short stacking energy: -82.567
Base-Backbone interact. energy: -0.011
local terms energy: -96.045811
where:
bonds (distance) C4'-P energy: -18.567
bonds (distance) P-C4' energy: -18.089
flat angles C4'-P-C4' energy: -19.763
flat angles P-C4'-P energy: -12.622
tors. eta vs tors. theta energy: -27.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -261.542338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.542338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.542338 (E_RNA)
where:
Base-Base interactions energy: -170.728
where: short stacking energy: -83.892
Base-Backbone interact. energy: -0.010
local terms energy: -90.804552
where:
bonds (distance) C4'-P energy: -18.963
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -12.843
tors. eta vs tors. theta energy: -26.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -231.429140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.429140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.429140 (E_RNA)
where:
Base-Base interactions energy: -153.738
where: short stacking energy: -69.484
Base-Backbone interact. energy: -0.236
local terms energy: -77.454910
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -18.260
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -20.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -226.466553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.466553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.466553 (E_RNA)
where:
Base-Base interactions energy: -140.723
where: short stacking energy: -62.858
Base-Backbone interact. energy: -0.218
local terms energy: -85.525225
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -17.874
flat angles C4'-P-C4' energy: -17.776
flat angles P-C4'-P energy: -14.899
tors. eta vs tors. theta energy: -18.896
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: 2
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -223.262046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.262046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.262046 (E_RNA)
where:
Base-Base interactions energy: -147.695
where: short stacking energy: -61.231
Base-Backbone interact. energy: -0.030
local terms energy: -75.537264
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -12.789
flat angles C4'-P-C4' energy: -17.458
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -20.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -103.392363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.392363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.392363 (E_RNA)
where:
Base-Base interactions energy: -41.519
where: short stacking energy: -38.490
Base-Backbone interact. energy: -0.530
local terms energy: -61.343402
where:
bonds (distance) C4'-P energy: -11.947
bonds (distance) P-C4' energy: -16.274
flat angles C4'-P-C4' energy: -13.318
flat angles P-C4'-P energy: -7.827
tors. eta vs tors. theta energy: -11.977
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: 241
Temperature: 1.250000
Total energy: -99.605336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.605336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.605336 (E_RNA)
where:
Base-Base interactions energy: -30.701
where: short stacking energy: -30.457
Base-Backbone interact. energy: 1.512
local terms energy: -70.416189
where:
bonds (distance) C4'-P energy: -18.855
bonds (distance) P-C4' energy: -19.986
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -8.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -90.639953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.639953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.639953 (E_RNA)
where:
Base-Base interactions energy: -38.566
where: short stacking energy: -27.553
Base-Backbone interact. energy: -0.004
local terms energy: -52.069746
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -11.382
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -10.182
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: 10, replica: 8
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -81.429461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.429461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.429461 (E_RNA)
where:
Base-Base interactions energy: -20.526
where: short stacking energy: -20.081
Base-Backbone interact. energy: -0.222
local terms energy: -60.681178
where:
bonds (distance) C4'-P energy: -18.859
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -4.013
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: 10
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -258.520475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.520475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.520475 (E_RNA)
where:
Base-Base interactions energy: -171.114
where: short stacking energy: -80.456
Base-Backbone interact. energy: -0.070
local terms energy: -87.336672
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -19.147
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -12.966
tors. eta vs tors. theta energy: -25.020
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: 9
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -268.495031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.495031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.495031 (E_RNA)
where:
Base-Base interactions energy: -177.517
where: short stacking energy: -78.467
Base-Backbone interact. energy: -0.055
local terms energy: -90.923381
where:
bonds (distance) C4'-P energy: -18.079
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: -25.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -243.460338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.460338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.460338 (E_RNA)
where:
Base-Base interactions energy: -168.624
where: short stacking energy: -68.333
Base-Backbone interact. energy: 4.377
local terms energy: -79.213497
where:
bonds (distance) C4'-P energy: -12.187
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -16.895
flat angles P-C4'-P energy: -14.646
tors. eta vs tors. theta energy: -19.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -239.590558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.590558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.590558 (E_RNA)
where:
Base-Base interactions energy: -153.587
where: short stacking energy: -66.830
Base-Backbone interact. energy: -0.353
local terms energy: -85.650614
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -12.944
tors. eta vs tors. theta energy: -25.770
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: 2
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -242.051659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.051659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.051659 (E_RNA)
where:
Base-Base interactions energy: -156.237
where: short stacking energy: -72.832
Base-Backbone interact. energy: -0.076
local terms energy: -85.738826
where:
bonds (distance) C4'-P energy: -12.328
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -17.283
flat angles P-C4'-P energy: -13.873
tors. eta vs tors. theta energy: -24.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -229.385609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.385609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.385609 (E_RNA)
where:
Base-Base interactions energy: -143.995
where: short stacking energy: -71.879
Base-Backbone interact. energy: -0.137
local terms energy: -85.254294
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -13.276
tors. eta vs tors. theta energy: -23.119
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: 242
Temperature: 1.200000
Total energy: -104.643002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.643002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.643002 (E_RNA)
where:
Base-Base interactions energy: -46.331
where: short stacking energy: -32.391
Base-Backbone interact. energy: 0.591
local terms energy: -58.903322
where:
bonds (distance) C4'-P energy: -8.721
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -8.381
tors. eta vs tors. theta energy: -9.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -85.597744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.597744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.597744 (E_RNA)
where:
Base-Base interactions energy: -25.084
where: short stacking energy: -25.084
Base-Backbone interact. energy: -1.606
local terms energy: -58.907800
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -14.455
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -4.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -93.024021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.024021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.024021 (E_RNA)
where:
Base-Base interactions energy: -33.634
where: short stacking energy: -29.952
Base-Backbone interact. energy: -0.008
local terms energy: -59.382356
where:
bonds (distance) C4'-P energy: -11.206
bonds (distance) P-C4' energy: -19.049
flat angles C4'-P-C4' energy: -12.278
flat angles P-C4'-P energy: -7.171
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: 10, replica: 3
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -76.629455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.629455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.629455 (E_RNA)
where:
Base-Base interactions energy: -26.483
where: short stacking energy: -19.921
Base-Backbone interact. energy: -0.352
local terms energy: -49.795074
where:
bonds (distance) C4'-P energy: -1.144
bonds (distance) P-C4' energy: -17.492
flat angles C4'-P-C4' energy: -18.193
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -1.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -272.432948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.432948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.432948 (E_RNA)
where:
Base-Base interactions energy: -174.376
where: short stacking energy: -78.376
Base-Backbone interact. energy: -0.001
local terms energy: -98.056077
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -21.106
flat angles C4'-P-C4' energy: -18.519
flat angles P-C4'-P energy: -15.598
tors. eta vs tors. theta energy: -26.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -253.775087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.775087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.775087 (E_RNA)
where:
Base-Base interactions energy: -168.987
where: short stacking energy: -81.769
Base-Backbone interact. energy: -0.092
local terms energy: -84.696194
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -14.105
tors. eta vs tors. theta energy: -26.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -251.102679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.102679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.102679 (E_RNA)
where:
Base-Base interactions energy: -169.730
where: short stacking energy: -77.732
Base-Backbone interact. energy: -0.006
local terms energy: -81.366477
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -13.239
flat angles C4'-P-C4' energy: -18.228
flat angles P-C4'-P energy: -12.485
tors. eta vs tors. theta energy: -23.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -235.893853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.893853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.893853 (E_RNA)
where:
Base-Base interactions energy: -150.633
where: short stacking energy: -66.367
Base-Backbone interact. energy: -0.003
local terms energy: -85.257786
where:
bonds (distance) C4'-P energy: -18.375
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -18.830
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -19.301
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: 5, replica: 2
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -242.665872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.665872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.665872 (E_RNA)
where:
Base-Base interactions energy: -158.293
where: short stacking energy: -76.030
Base-Backbone interact. energy: -0.105
local terms energy: -84.267861
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -18.093
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -25.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -206.386155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.386155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.386155 (E_RNA)
where:
Base-Base interactions energy: -139.502
where: short stacking energy: -68.664
Base-Backbone interact. energy: -0.172
local terms energy: -66.712592
where:
bonds (distance) C4'-P energy: -10.753
bonds (distance) P-C4' energy: -11.681
flat angles C4'-P-C4' energy: -16.325
flat angles P-C4'-P energy: -8.849
tors. eta vs tors. theta energy: -19.104
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: 7
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -95.307712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.307712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.307712 (E_RNA)
where:
Base-Base interactions energy: -32.649
where: short stacking energy: -32.649
Base-Backbone interact. energy: -0.093
local terms energy: -62.565783
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -17.627
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -4.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -96.932471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.932471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.932471 (E_RNA)
where:
Base-Base interactions energy: -36.009
where: short stacking energy: -27.189
Base-Backbone interact. energy: -0.208
local terms energy: -60.714930
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -10.790
flat angles P-C4'-P energy: -13.943
tors. eta vs tors. theta energy: -1.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -85.972498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.972498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.972498 (E_RNA)
where:
Base-Base interactions energy: -23.686
where: short stacking energy: -13.173
Base-Backbone interact. energy: -0.251
local terms energy: -62.035802
where:
bonds (distance) C4'-P energy: -16.911
bonds (distance) P-C4' energy: -19.743
flat angles C4'-P-C4' energy: -10.379
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -5.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -91.057414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.057414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.057414 (E_RNA)
where:
Base-Base interactions energy: -37.769
where: short stacking energy: -32.809
Base-Backbone interact. energy: -0.324
local terms energy: -52.964828
where:
bonds (distance) C4'-P energy: -13.856
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -11.957
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -3.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -255.811500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.811500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.811500 (E_RNA)
where:
Base-Base interactions energy: -167.863
where: short stacking energy: -76.248
Base-Backbone interact. energy: -0.019
local terms energy: -87.930195
where:
bonds (distance) C4'-P energy: -18.588
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -18.061
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -24.044
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: 2, replica: 9
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -258.551229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.551229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.551229 (E_RNA)
where:
Base-Base interactions energy: -169.189
where: short stacking energy: -73.716
Base-Backbone interact. energy: -0.047
local terms energy: -89.315692
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -13.454
tors. eta vs tors. theta energy: -26.591
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: 244
Temperature: 1.000000
Total energy: -251.835674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.835674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.835674 (E_RNA)
where:
Base-Base interactions energy: -168.962
where: short stacking energy: -78.431
Base-Backbone interact. energy: -0.073
local terms energy: -82.800927
where:
bonds (distance) C4'-P energy: -16.321
bonds (distance) P-C4' energy: -16.098
flat angles C4'-P-C4' energy: -17.227
flat angles P-C4'-P energy: -8.704
tors. eta vs tors. theta energy: -24.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -246.503397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.503397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.503397 (E_RNA)
where:
Base-Base interactions energy: -161.663
where: short stacking energy: -80.659
Base-Backbone interact. energy: 1.334
local terms energy: -86.174252
where:
bonds (distance) C4'-P energy: -15.457
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -18.303
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -23.542
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: 2
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -239.406547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.406547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.406547 (E_RNA)
where:
Base-Base interactions energy: -153.008
where: short stacking energy: -77.215
Base-Backbone interact. energy: -0.098
local terms energy: -86.300365
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -18.253
flat angles C4'-P-C4' energy: -17.397
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -25.244
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: 6
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -210.832852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.832852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.832852 (E_RNA)
where:
Base-Base interactions energy: -138.483
where: short stacking energy: -65.604
Base-Backbone interact. energy: -0.034
local terms energy: -72.315803
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -12.124
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -13.571
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: 7, replica: 1
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -101.781494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.781494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.781494 (E_RNA)
where:
Base-Base interactions energy: -45.275
where: short stacking energy: -32.701
Base-Backbone interact. energy: 0.018
local terms energy: -56.524478
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -6.843
tors. eta vs tors. theta energy: -4.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -90.499423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.499423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.499423 (E_RNA)
where:
Base-Base interactions energy: -37.558
where: short stacking energy: -23.868
Base-Backbone interact. energy: -0.059
local terms energy: -52.882388
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -8.752
tors. eta vs tors. theta energy: -0.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -85.494810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.494810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.494810 (E_RNA)
where:
Base-Base interactions energy: -29.491
where: short stacking energy: -28.951
Base-Backbone interact. energy: 0.090
local terms energy: -56.093644
where:
bonds (distance) C4'-P energy: -11.015
bonds (distance) P-C4' energy: -19.101
flat angles C4'-P-C4' energy: -8.796
flat angles P-C4'-P energy: -12.193
tors. eta vs tors. theta energy: -4.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -79.423417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.423417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.423417 (E_RNA)
where:
Base-Base interactions energy: -26.691
where: short stacking energy: -26.691
Base-Backbone interact. energy: -0.228
local terms energy: -52.504272
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -17.558
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -1.461
tors. eta vs tors. theta energy: -4.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -258.526291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.526291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.526291 (E_RNA)
where:
Base-Base interactions energy: -173.713
where: short stacking energy: -83.422
Base-Backbone interact. energy: -0.007
local terms energy: -84.806987
where:
bonds (distance) C4'-P energy: -16.298
bonds (distance) P-C4' energy: -13.766
flat angles C4'-P-C4' energy: -17.743
flat angles P-C4'-P energy: -12.892
tors. eta vs tors. theta energy: -24.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -248.986597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.986597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.986597 (E_RNA)
where:
Base-Base interactions energy: -158.175
where: short stacking energy: -72.288
Base-Backbone interact. energy: -0.090
local terms energy: -90.721545
where:
bonds (distance) C4'-P energy: -17.812
bonds (distance) P-C4' energy: -18.818
flat angles C4'-P-C4' energy: -18.837
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -22.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -259.814068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.814068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.814068 (E_RNA)
where:
Base-Base interactions energy: -167.781
where: short stacking energy: -78.907
Base-Backbone interact. energy: -0.078
local terms energy: -91.954851
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -15.932
flat angles C4'-P-C4' energy: -19.299
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -28.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -251.079892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.079892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.079892 (E_RNA)
where:
Base-Base interactions energy: -164.040
where: short stacking energy: -76.831
Base-Backbone interact. energy: -0.039
local terms energy: -87.001278
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -19.583
flat angles P-C4'-P energy: -14.319
tors. eta vs tors. theta energy: -25.165
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: 5
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -221.206161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.206161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.206161 (E_RNA)
where:
Base-Base interactions energy: -142.373
where: short stacking energy: -56.613
Base-Backbone interact. energy: -0.094
local terms energy: -78.738497
where:
bonds (distance) C4'-P energy: -17.617
bonds (distance) P-C4' energy: -18.115
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -15.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -210.166979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.166979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.166979 (E_RNA)
where:
Base-Base interactions energy: -130.000
where: short stacking energy: -64.602
Base-Backbone interact. energy: -0.005
local terms energy: -80.162516
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -16.466
flat angles P-C4'-P energy: -13.134
tors. eta vs tors. theta energy: -19.403
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: 1
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -105.357990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.357990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.357990 (E_RNA)
where:
Base-Base interactions energy: -42.896
where: short stacking energy: -33.706
Base-Backbone interact. energy: -0.215
local terms energy: -62.247246
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -16.225
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -11.875
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: 8, replica: 7
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -88.038406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.038406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.038406 (E_RNA)
where:
Base-Base interactions energy: -30.822
where: short stacking energy: -22.263
Base-Backbone interact. energy: -0.121
local terms energy: -57.095237
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -11.707
flat angles P-C4'-P energy: -12.322
tors. eta vs tors. theta energy: 2.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -96.040064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.040064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.040064 (E_RNA)
where:
Base-Base interactions energy: -32.699
where: short stacking energy: -32.699
Base-Backbone interact. energy: -0.623
local terms energy: -62.718665
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -19.259
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -1.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -89.915087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.915087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.915087 (E_RNA)
where:
Base-Base interactions energy: -50.916
where: short stacking energy: -21.743
Base-Backbone interact. energy: 0.242
local terms energy: -39.240414
where:
bonds (distance) C4'-P energy: -11.454
bonds (distance) P-C4' energy: -15.217
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: 0.947
tors. eta vs tors. theta energy: 0.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -272.520555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.520555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.520555 (E_RNA)
where:
Base-Base interactions energy: -173.222
where: short stacking energy: -91.099
Base-Backbone interact. energy: -0.007
local terms energy: -99.291295
where:
bonds (distance) C4'-P energy: -18.681
bonds (distance) P-C4' energy: -18.790
flat angles C4'-P-C4' energy: -19.714
flat angles P-C4'-P energy: -13.783
tors. eta vs tors. theta energy: -28.322
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: 10
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -263.948568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.948568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.948568 (E_RNA)
where:
Base-Base interactions energy: -176.669
where: short stacking energy: -82.269
Base-Backbone interact. energy: -0.091
local terms energy: -87.188911
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -14.391
flat angles C4'-P-C4' energy: -18.204
flat angles P-C4'-P energy: -13.003
tors. eta vs tors. theta energy: -27.840
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: 246
Temperature: 1.000000
Total energy: -250.245946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.245946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.245946 (E_RNA)
where:
Base-Base interactions energy: -165.880
where: short stacking energy: -84.364
Base-Backbone interact. energy: -0.203
local terms energy: -84.162692
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -13.426
flat angles C4'-P-C4' energy: -19.187
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -27.577
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: 9
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -251.800825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.800825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.800825 (E_RNA)
where:
Base-Base interactions energy: -164.549
where: short stacking energy: -83.007
Base-Backbone interact. energy: -0.005
local terms energy: -87.247382
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -16.091
flat angles C4'-P-C4' energy: -18.112
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -24.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -230.618966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.618966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.618966 (E_RNA)
where:
Base-Base interactions energy: -151.371
where: short stacking energy: -68.228
Base-Backbone interact. energy: -1.023
local terms energy: -78.224785
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -17.782
flat angles P-C4'-P energy: -7.909
tors. eta vs tors. theta energy: -22.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -232.398995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.398995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.398995 (E_RNA)
where:
Base-Base interactions energy: -148.897
where: short stacking energy: -69.283
Base-Backbone interact. energy: -0.083
local terms energy: -83.418852
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -18.263
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -22.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -109.687086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.687086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.687086 (E_RNA)
where:
Base-Base interactions energy: -61.138
where: short stacking energy: -33.667
Base-Backbone interact. energy: -0.343
local terms energy: -48.205721
where:
bonds (distance) C4'-P energy: -11.644
bonds (distance) P-C4' energy: -11.965
flat angles C4'-P-C4' energy: -10.184
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -3.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -88.848855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.848855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.848855 (E_RNA)
where:
Base-Base interactions energy: -32.745
where: short stacking energy: -31.175
Base-Backbone interact. energy: -0.196
local terms energy: -55.907766
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -19.675
flat angles C4'-P-C4' energy: -11.658
flat angles P-C4'-P energy: -6.800
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: 9, replica: 8
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -83.671439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.671439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.671439 (E_RNA)
where:
Base-Base interactions energy: -26.006
where: short stacking energy: -26.006
Base-Backbone interact. energy: -0.101
local terms energy: -57.564291
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -17.310
flat angles C4'-P-C4' energy: -15.223
flat angles P-C4'-P energy: -4.804
tors. eta vs tors. theta energy: -4.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -92.199402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.199402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.199402 (E_RNA)
where:
Base-Base interactions energy: -44.054
where: short stacking energy: -44.054
Base-Backbone interact. energy: -0.079
local terms energy: -48.066201
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -5.098
tors. eta vs tors. theta energy: -2.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -268.803788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.803788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.803788 (E_RNA)
where:
Base-Base interactions energy: -173.742
where: short stacking energy: -77.585
Base-Backbone interact. energy: -0.506
local terms energy: -94.555972
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -18.368
flat angles C4'-P-C4' energy: -20.566
flat angles P-C4'-P energy: -16.214
tors. eta vs tors. theta energy: -23.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -261.954778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.954778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.954778 (E_RNA)
where:
Base-Base interactions energy: -176.439
where: short stacking energy: -83.479
Base-Backbone interact. energy: -0.033
local terms energy: -85.482668
where:
bonds (distance) C4'-P energy: -18.322
bonds (distance) P-C4' energy: -9.707
flat angles C4'-P-C4' energy: -20.022
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -25.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -257.611869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.611869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.611869 (E_RNA)
where:
Base-Base interactions energy: -166.221
where: short stacking energy: -79.665
Base-Backbone interact. energy: -0.002
local terms energy: -91.388654
where:
bonds (distance) C4'-P energy: -15.880
bonds (distance) P-C4' energy: -16.923
flat angles C4'-P-C4' energy: -18.153
flat angles P-C4'-P energy: -14.003
tors. eta vs tors. theta energy: -26.429
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: 5
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -236.831129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.831129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.831129 (E_RNA)
where:
Base-Base interactions energy: -160.490
where: short stacking energy: -74.759
Base-Backbone interact. energy: -0.015
local terms energy: -76.326351
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -23.407
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: 247
Temperature: 1.100000
Total energy: -249.309535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.309535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.309535 (E_RNA)
where:
Base-Base interactions energy: -157.203
where: short stacking energy: -74.518
Base-Backbone interact. energy: -0.147
local terms energy: -91.959342
where:
bonds (distance) C4'-P energy: -18.607
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -17.832
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: -26.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -226.890003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.890003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.890003 (E_RNA)
where:
Base-Base interactions energy: -157.735
where: short stacking energy: -75.842
Base-Backbone interact. energy: -0.000
local terms energy: -69.154129
where:
bonds (distance) C4'-P energy: -11.597
bonds (distance) P-C4' energy: -9.025
flat angles C4'-P-C4' energy: -16.900
flat angles P-C4'-P energy: -6.528
tors. eta vs tors. theta energy: -25.104
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: 1
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -90.606525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.606525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.606525 (E_RNA)
where:
Base-Base interactions energy: -38.164
where: short stacking energy: -28.894
Base-Backbone interact. energy: -0.316
local terms energy: -52.126226
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -18.445
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -3.410
tors. eta vs tors. theta energy: -1.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -98.880154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.880154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.880154 (E_RNA)
where:
Base-Base interactions energy: -34.581
where: short stacking energy: -33.273
Base-Backbone interact. energy: 0.028
local terms energy: -64.327262
where:
bonds (distance) C4'-P energy: -19.075
bonds (distance) P-C4' energy: -11.595
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -7.601
tors. eta vs tors. theta energy: -9.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -83.296775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.296775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.296775 (E_RNA)
where:
Base-Base interactions energy: -29.785
where: short stacking energy: -29.785
Base-Backbone interact. energy: -1.159
local terms energy: -52.353377
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -2.795
tors. eta vs tors. theta energy: -2.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -83.679584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.679584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.679584 (E_RNA)
where:
Base-Base interactions energy: -33.309
where: short stacking energy: -33.309
Base-Backbone interact. energy: 0.477
local terms energy: -50.847667
where:
bonds (distance) C4'-P energy: -16.852
bonds (distance) P-C4' energy: -19.082
flat angles C4'-P-C4' energy: -9.875
flat angles P-C4'-P energy: -3.714
tors. eta vs tors. theta energy: -1.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -263.778305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.778305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.778305 (E_RNA)
where:
Base-Base interactions energy: -176.720
where: short stacking energy: -83.584
Base-Backbone interact. energy: -0.002
local terms energy: -87.056852
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -20.386
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -26.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -252.078771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.078771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.078771 (E_RNA)
where:
Base-Base interactions energy: -162.628
where: short stacking energy: -81.784
Base-Backbone interact. energy: -0.041
local terms energy: -89.410442
where:
bonds (distance) C4'-P energy: -15.306
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -17.890
flat angles P-C4'-P energy: -15.342
tors. eta vs tors. theta energy: -25.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -234.207274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.207274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.207274 (E_RNA)
where:
Base-Base interactions energy: -151.274
where: short stacking energy: -74.769
Base-Backbone interact. energy: -0.007
local terms energy: -82.926205
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -17.288
flat angles P-C4'-P energy: -11.836
tors. eta vs tors. theta energy: -24.893
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: 248
Temperature: 1.050000
Total energy: -250.308770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.308770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.308770 (E_RNA)
where:
Base-Base interactions energy: -170.438
where: short stacking energy: -72.718
Base-Backbone interact. energy: 0.930
local terms energy: -80.800738
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -15.076
flat angles C4'-P-C4' energy: -17.713
flat angles P-C4'-P energy: -14.752
tors. eta vs tors. theta energy: -21.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -228.986529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.986529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.986529 (E_RNA)
where:
Base-Base interactions energy: -149.724
where: short stacking energy: -71.865
Base-Backbone interact. energy: -0.003
local terms energy: -79.260213
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -20.874
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: -18.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -232.625257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.625257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.625257 (E_RNA)
where:
Base-Base interactions energy: -151.851
where: short stacking energy: -70.960
Base-Backbone interact. energy: -0.080
local terms energy: -80.694550
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -17.469
flat angles P-C4'-P energy: -8.656
tors. eta vs tors. theta energy: -23.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -110.220103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.220103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.220103 (E_RNA)
where:
Base-Base interactions energy: -53.090
where: short stacking energy: -39.165
Base-Backbone interact. energy: 0.682
local terms energy: -57.812364
where:
bonds (distance) C4'-P energy: -12.150
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -4.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -99.843466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.843466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.843466 (E_RNA)
where:
Base-Base interactions energy: -40.029
where: short stacking energy: -31.297
Base-Backbone interact. energy: -0.120
local terms energy: -59.694623
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -11.259
flat angles P-C4'-P energy: -14.966
tors. eta vs tors. theta energy: -6.714
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: 8
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -89.666441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.666441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.666441 (E_RNA)
where:
Base-Base interactions energy: -26.200
where: short stacking energy: -26.200
Base-Backbone interact. energy: -0.148
local terms energy: -63.318939
where:
bonds (distance) C4'-P energy: -17.486
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -12.567
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: 3
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -94.650443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.650443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.650443 (E_RNA)
where:
Base-Base interactions energy: -34.074
where: short stacking energy: -34.074
Base-Backbone interact. energy: -1.042
local terms energy: -59.534373
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -16.623
flat angles C4'-P-C4' energy: -9.644
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -9.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -263.405227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.405227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.405227 (E_RNA)
where:
Base-Base interactions energy: -172.336
where: short stacking energy: -83.251
Base-Backbone interact. energy: -0.020
local terms energy: -91.049729
where:
bonds (distance) C4'-P energy: -16.253
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -19.141
flat angles P-C4'-P energy: -13.156
tors. eta vs tors. theta energy: -25.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -252.137890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.137890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.137890 (E_RNA)
where:
Base-Base interactions energy: -170.165
where: short stacking energy: -76.424
Base-Backbone interact. energy: 0.083
local terms energy: -82.055884
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -23.762
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: 10
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -232.456497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.456497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.456497 (E_RNA)
where:
Base-Base interactions energy: -152.284
where: short stacking energy: -74.566
Base-Backbone interact. energy: -0.289
local terms energy: -79.883676
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -14.210
flat angles C4'-P-C4' energy: -18.590
flat angles P-C4'-P energy: -13.477
tors. eta vs tors. theta energy: -21.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -245.680750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.680750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.680750 (E_RNA)
where:
Base-Base interactions energy: -159.037
where: short stacking energy: -83.013
Base-Backbone interact. energy: -0.023
local terms energy: -86.620159
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -14.996
flat angles C4'-P-C4' energy: -17.768
flat angles P-C4'-P energy: -13.181
tors. eta vs tors. theta energy: -25.748
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: 2
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -246.644351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.644351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.644351 (E_RNA)
where:
Base-Base interactions energy: -161.455
where: short stacking energy: -79.576
Base-Backbone interact. energy: -0.036
local terms energy: -85.153297
where:
bonds (distance) C4'-P energy: -15.570
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -19.607
flat angles P-C4'-P energy: -11.388
tors. eta vs tors. theta energy: -22.909
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: 9
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -244.916174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.916174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.916174 (E_RNA)
where:
Base-Base interactions energy: -159.313
where: short stacking energy: -79.849
Base-Backbone interact. energy: -0.013
local terms energy: -85.590566
where:
bonds (distance) C4'-P energy: -16.419
bonds (distance) P-C4' energy: -18.675
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -11.285
tors. eta vs tors. theta energy: -24.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -108.805675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.805675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.805675 (E_RNA)
where:
Base-Base interactions energy: -50.694
where: short stacking energy: -48.067
Base-Backbone interact. energy: 0.480
local terms energy: -58.591982
where:
bonds (distance) C4'-P energy: -17.343
bonds (distance) P-C4' energy: -12.523
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -4.246
tors. eta vs tors. theta energy: -11.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -93.295730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.295730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.295730 (E_RNA)
where:
Base-Base interactions energy: -30.428
where: short stacking energy: -26.501
Base-Backbone interact. energy: -0.041
local terms energy: -62.826737
where:
bonds (distance) C4'-P energy: -16.592
bonds (distance) P-C4' energy: -15.827
flat angles C4'-P-C4' energy: -10.665
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -10.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -89.601306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.601306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.601306 (E_RNA)
where:
Base-Base interactions energy: -36.092
where: short stacking energy: -33.507
Base-Backbone interact. energy: -0.209
local terms energy: -53.300409
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -6.362
flat angles P-C4'-P energy: -9.650
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: 3
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -92.942828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.942828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.942828 (E_RNA)
where:
Base-Base interactions energy: -31.369
where: short stacking energy: -27.626
Base-Backbone interact. energy: -0.033
local terms energy: -61.540948
where:
bonds (distance) C4'-P energy: -19.171
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -17.208
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -0.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -263.046185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.046185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.046185 (E_RNA)
where:
Base-Base interactions energy: -165.108
where: short stacking energy: -85.697
Base-Backbone interact. energy: -0.616
local terms energy: -97.322845
where:
bonds (distance) C4'-P energy: -17.349
bonds (distance) P-C4' energy: -18.083
flat angles C4'-P-C4' energy: -20.534
flat angles P-C4'-P energy: -13.850
tors. eta vs tors. theta energy: -27.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -266.304581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.304581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.304581 (E_RNA)
where:
Base-Base interactions energy: -174.900
where: short stacking energy: -81.657
Base-Backbone interact. energy: -0.589
local terms energy: -90.815536
where:
bonds (distance) C4'-P energy: -14.299
bonds (distance) P-C4' energy: -20.011
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -14.539
tors. eta vs tors. theta energy: -25.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -259.517472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.517472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.517472 (E_RNA)
where:
Base-Base interactions energy: -168.281
where: short stacking energy: -84.593
Base-Backbone interact. energy: 0.325
local terms energy: -91.561747
where:
bonds (distance) C4'-P energy: -18.367
bonds (distance) P-C4' energy: -19.355
flat angles C4'-P-C4' energy: -17.337
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -24.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -220.931365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.931365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.931365 (E_RNA)
where:
Base-Base interactions energy: -140.715
where: short stacking energy: -67.955
Base-Backbone interact. energy: -0.174
local terms energy: -80.042134
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -22.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -238.272728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.272728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.272728 (E_RNA)
where:
Base-Base interactions energy: -156.452
where: short stacking energy: -72.375
Base-Backbone interact. energy: -0.727
local terms energy: -81.093961
where:
bonds (distance) C4'-P energy: -18.023
bonds (distance) P-C4' energy: -10.758
flat angles C4'-P-C4' energy: -19.048
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: -23.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -229.358342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.358342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.358342 (E_RNA)
where:
Base-Base interactions energy: -152.505
where: short stacking energy: -70.455
Base-Backbone interact. energy: -0.007
local terms energy: -76.845506
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -19.153
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -7.436
tors. eta vs tors. theta energy: -22.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -101.594277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.594277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.594277 (E_RNA)
where:
Base-Base interactions energy: -40.284
where: short stacking energy: -28.908
Base-Backbone interact. energy: 0.011
local terms energy: -61.321686
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -15.460
flat angles P-C4'-P energy: -6.088
tors. eta vs tors. theta energy: -7.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -99.520954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.520954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.520954 (E_RNA)
where:
Base-Base interactions energy: -35.774
where: short stacking energy: -29.840
Base-Backbone interact. energy: -0.258
local terms energy: -63.488729
where:
bonds (distance) C4'-P energy: -16.750
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -17.501
flat angles P-C4'-P energy: -11.580
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: 3
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -82.934945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.934945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.934945 (E_RNA)
where:
Base-Base interactions energy: -24.829
where: short stacking energy: -24.829
Base-Backbone interact. energy: -0.752
local terms energy: -57.353862
where:
bonds (distance) C4'-P energy: -16.956
bonds (distance) P-C4' energy: -14.702
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -5.755
tors. eta vs tors. theta energy: -4.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -76.557575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.557575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.557575 (E_RNA)
where:
Base-Base interactions energy: -33.290
where: short stacking energy: -22.420
Base-Backbone interact. energy: -0.059
local terms energy: -43.208244
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -13.189
flat angles C4'-P-C4' energy: -12.615
flat angles P-C4'-P energy: -1.984
tors. eta vs tors. theta energy: -4.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -265.075151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.075151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.075151 (E_RNA)
where:
Base-Base interactions energy: -175.656
where: short stacking energy: -85.249
Base-Backbone interact. energy: 0.473
local terms energy: -89.892687
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -18.309
flat angles C4'-P-C4' energy: -19.320
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -25.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -263.626403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.626403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.626403 (E_RNA)
where:
Base-Base interactions energy: -170.327
where: short stacking energy: -82.846
Base-Backbone interact. energy: -0.240
local terms energy: -93.059678
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -19.034
flat angles C4'-P-C4' energy: -17.431
flat angles P-C4'-P energy: -13.151
tors. eta vs tors. theta energy: -27.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -251.068151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.068151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.068151 (E_RNA)
where:
Base-Base interactions energy: -172.101
where: short stacking energy: -81.688
Base-Backbone interact. energy: -0.300
local terms energy: -78.668009
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -10.273
flat angles C4'-P-C4' energy: -16.902
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -24.950
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: 9
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -255.931200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.931200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.931200 (E_RNA)
where:
Base-Base interactions energy: -167.733
where: short stacking energy: -75.853
Base-Backbone interact. energy: -0.025
local terms energy: -88.172515
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -20.430
flat angles C4'-P-C4' energy: -18.255
flat angles P-C4'-P energy: -11.771
tors. eta vs tors. theta energy: -23.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -214.903233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.903233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.903233 (E_RNA)
where:
Base-Base interactions energy: -134.808
where: short stacking energy: -69.876
Base-Backbone interact. energy: -0.105
local terms energy: -79.990013
where:
bonds (distance) C4'-P energy: -16.711
bonds (distance) P-C4' energy: -19.236
flat angles C4'-P-C4' energy: -12.040
flat angles P-C4'-P energy: -12.936
tors. eta vs tors. theta energy: -19.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -244.257037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.257037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.257037 (E_RNA)
where:
Base-Base interactions energy: -154.762
where: short stacking energy: -70.594
Base-Backbone interact. energy: -0.139
local terms energy: -89.355940
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -18.055
flat angles C4'-P-C4' energy: -18.609
flat angles P-C4'-P energy: -14.119
tors. eta vs tors. theta energy: -24.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -91.237394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.237394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.237394 (E_RNA)
where:
Base-Base interactions energy: -31.539
where: short stacking energy: -32.439
Base-Backbone interact. energy: 0.353
local terms energy: -60.051879
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -19.911
flat angles C4'-P-C4' energy: -17.045
flat angles P-C4'-P energy: -5.266
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: 8
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -103.796946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.796946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.796946 (E_RNA)
where:
Base-Base interactions energy: -48.488
where: short stacking energy: -31.882
Base-Backbone interact. energy: -0.093
local terms energy: -55.216173
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -13.975
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -7.765
tors. eta vs tors. theta energy: -4.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -79.801178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.801178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.801178 (E_RNA)
where:
Base-Base interactions energy: -23.968
where: short stacking energy: -18.239
Base-Backbone interact. energy: 0.791
local terms energy: -56.625155
where:
bonds (distance) C4'-P energy: -8.613
bonds (distance) P-C4' energy: -14.572
flat angles C4'-P-C4' energy: -18.477
flat angles P-C4'-P energy: -12.864
tors. eta vs tors. theta energy: -2.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -87.641352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.641352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.641352 (E_RNA)
where:
Base-Base interactions energy: -37.836
where: short stacking energy: -27.066
Base-Backbone interact. energy: 3.001
local terms energy: -52.805576
where:
bonds (distance) C4'-P energy: -9.662
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -11.508
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -6.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -266.441391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.441391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.441391 (E_RNA)
where:
Base-Base interactions energy: -173.652
where: short stacking energy: -88.075
Base-Backbone interact. energy: -0.105
local terms energy: -92.684581
where:
bonds (distance) C4'-P energy: -16.954
bonds (distance) P-C4' energy: -18.984
flat angles C4'-P-C4' energy: -19.686
flat angles P-C4'-P energy: -12.150
tors. eta vs tors. theta energy: -24.911
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: 4
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -251.962928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.962928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.962928 (E_RNA)
where:
Base-Base interactions energy: -163.993
where: short stacking energy: -79.501
Base-Backbone interact. energy: -1.707
local terms energy: -86.262975
where:
bonds (distance) C4'-P energy: -16.869
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -17.940
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: -27.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -254.508940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.508940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.508940 (E_RNA)
where:
Base-Base interactions energy: -166.458
where: short stacking energy: -79.357
Base-Backbone interact. energy: -0.088
local terms energy: -87.963133
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -14.810
tors. eta vs tors. theta energy: -22.797
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: 4, replica: 6
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -254.364738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.364738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.364738 (E_RNA)
where:
Base-Base interactions energy: -171.560
where: short stacking energy: -86.602
Base-Backbone interact. energy: -0.011
local terms energy: -82.793660
where:
bonds (distance) C4'-P energy: -16.245
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -24.451
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: 2
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -239.594424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.594424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.594424 (E_RNA)
where:
Base-Base interactions energy: -155.222
where: short stacking energy: -70.962
Base-Backbone interact. energy: -0.695
local terms energy: -83.677480
where:
bonds (distance) C4'-P energy: -19.095
bonds (distance) P-C4' energy: -17.032
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -10.400
tors. eta vs tors. theta energy: -23.349
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: 10
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -231.467812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.467812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.467812 (E_RNA)
where:
Base-Base interactions energy: -151.039
where: short stacking energy: -62.891
Base-Backbone interact. energy: -0.158
local terms energy: -80.270433
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -16.014
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -11.950
tors. eta vs tors. theta energy: -23.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -104.908829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.908829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.908829 (E_RNA)
where:
Base-Base interactions energy: -41.520
where: short stacking energy: -38.862
Base-Backbone interact. energy: -0.145
local terms energy: -63.244084
where:
bonds (distance) C4'-P energy: -16.344
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -11.814
flat angles P-C4'-P energy: -12.414
tors. eta vs tors. theta energy: -7.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -107.185152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.185152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.185152 (E_RNA)
where:
Base-Base interactions energy: -44.637
where: short stacking energy: -44.637
Base-Backbone interact. energy: -0.120
local terms energy: -62.427598
where:
bonds (distance) C4'-P energy: -11.809
bonds (distance) P-C4' energy: -10.932
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -10.884
tors. eta vs tors. theta energy: -14.443
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: 9, replica: 1
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -93.925871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.925871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.925871 (E_RNA)
where:
Base-Base interactions energy: -35.031
where: short stacking energy: -35.031
Base-Backbone interact. energy: -0.216
local terms energy: -58.679089
where:
bonds (distance) C4'-P energy: -17.136
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -13.830
flat angles P-C4'-P energy: -6.458
tors. eta vs tors. theta energy: -6.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -92.155523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.155523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.155523 (E_RNA)
where:
Base-Base interactions energy: -36.776
where: short stacking energy: -29.534
Base-Backbone interact. energy: -0.169
local terms energy: -55.209717
where:
bonds (distance) C4'-P energy: -13.906
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -9.719
tors. eta vs tors. theta energy: -1.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -263.035432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.035432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.035432 (E_RNA)
where:
Base-Base interactions energy: -172.242
where: short stacking energy: -76.938
Base-Backbone interact. energy: -0.012
local terms energy: -90.781463
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -16.078
tors. eta vs tors. theta energy: -26.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -248.973926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.973926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.973926 (E_RNA)
where:
Base-Base interactions energy: -160.657
where: short stacking energy: -72.708
Base-Backbone interact. energy: -0.075
local terms energy: -88.242112
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -17.563
flat angles P-C4'-P energy: -13.068
tors. eta vs tors. theta energy: -25.284
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: 253
Temperature: 1.000000
Total energy: -258.636993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.636993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.636993 (E_RNA)
where:
Base-Base interactions energy: -174.196
where: short stacking energy: -78.154
Base-Backbone interact. energy: -0.620
local terms energy: -83.821490
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -16.645
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -25.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -250.431456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.431456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.431456 (E_RNA)
where:
Base-Base interactions energy: -165.038
where: short stacking energy: -71.124
Base-Backbone interact. energy: -0.085
local terms energy: -85.308345
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -17.257
flat angles C4'-P-C4' energy: -17.473
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -27.496
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: 5, replica: 6
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -231.269411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.269411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.269411 (E_RNA)
where:
Base-Base interactions energy: -151.153
where: short stacking energy: -62.415
Base-Backbone interact. energy: -0.033
local terms energy: -80.083614
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -19.750
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -20.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -209.873699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.873699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.873699 (E_RNA)
where:
Base-Base interactions energy: -142.506
where: short stacking energy: -71.922
Base-Backbone interact. energy: -0.025
local terms energy: -67.342405
where:
bonds (distance) C4'-P energy: -12.021
bonds (distance) P-C4' energy: -9.571
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: -18.808
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: 7
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -112.393527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.393527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.393527 (E_RNA)
where:
Base-Base interactions energy: -45.818
where: short stacking energy: -45.710
Base-Backbone interact. energy: 0.679
local terms energy: -67.254369
where:
bonds (distance) C4'-P energy: -13.703
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -17.662
flat angles P-C4'-P energy: -14.584
tors. eta vs tors. theta energy: -5.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -84.828784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.828784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.828784 (E_RNA)
where:
Base-Base interactions energy: -27.538
where: short stacking energy: -27.538
Base-Backbone interact. energy: 1.739
local terms energy: -59.030175
where:
bonds (distance) C4'-P energy: -16.546
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -10.791
flat angles P-C4'-P energy: -13.731
tors. eta vs tors. theta energy: -1.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -104.158512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.158512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.158512 (E_RNA)
where:
Base-Base interactions energy: -42.235
where: short stacking energy: -38.597
Base-Backbone interact. energy: -0.015
local terms energy: -61.908174
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -8.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -80.188864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.188864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.188864 (E_RNA)
where:
Base-Base interactions energy: -32.616
where: short stacking energy: -17.677
Base-Backbone interact. energy: -0.323
local terms energy: -47.250156
where:
bonds (distance) C4'-P energy: -14.739
bonds (distance) P-C4' energy: -18.326
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -3.241
tors. eta vs tors. theta energy: 4.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -263.103922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.103922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.103922 (E_RNA)
where:
Base-Base interactions energy: -164.868
where: short stacking energy: -79.503
Base-Backbone interact. energy: -0.034
local terms energy: -98.201116
where:
bonds (distance) C4'-P energy: -19.133
bonds (distance) P-C4' energy: -20.129
flat angles C4'-P-C4' energy: -18.636
flat angles P-C4'-P energy: -15.215
tors. eta vs tors. theta energy: -25.088
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: 5
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -270.862600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.862600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.862600 (E_RNA)
where:
Base-Base interactions energy: -175.074
where: short stacking energy: -79.669
Base-Backbone interact. energy: -0.003
local terms energy: -95.786073
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -18.213
flat angles C4'-P-C4' energy: -20.165
flat angles P-C4'-P energy: -13.835
tors. eta vs tors. theta energy: -28.672
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: 3, replica: 2
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -240.920583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.920583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.920583 (E_RNA)
where:
Base-Base interactions energy: -157.441
where: short stacking energy: -71.048
Base-Backbone interact. energy: 1.471
local terms energy: -84.950610
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -16.843
flat angles P-C4'-P energy: -15.285
tors. eta vs tors. theta energy: -20.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -242.707120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.707120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.707120 (E_RNA)
where:
Base-Base interactions energy: -160.904
where: short stacking energy: -68.842
Base-Backbone interact. energy: -0.048
local terms energy: -81.755677
where:
bonds (distance) C4'-P energy: -16.422
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: -23.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -214.008513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.008513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.008513 (E_RNA)
where:
Base-Base interactions energy: -127.667
where: short stacking energy: -60.469
Base-Backbone interact. energy: -0.099
local terms energy: -86.242723
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -19.312
flat angles C4'-P-C4' energy: -18.403
flat angles P-C4'-P energy: -16.212
tors. eta vs tors. theta energy: -18.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -222.548056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.548056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.548056 (E_RNA)
where:
Base-Base interactions energy: -151.418
where: short stacking energy: -73.831
Base-Backbone interact. energy: 0.991
local terms energy: -72.121989
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -9.793
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: -21.606
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: 7
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -99.323809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.323809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.323809 (E_RNA)
where:
Base-Base interactions energy: -34.767
where: short stacking energy: -34.767
Base-Backbone interact. energy: -0.182
local terms energy: -64.375264
where:
bonds (distance) C4'-P energy: -15.948
bonds (distance) P-C4' energy: -16.960
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -7.585
tors. eta vs tors. theta energy: -8.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -91.911649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.911649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.911649 (E_RNA)
where:
Base-Base interactions energy: -20.628
where: short stacking energy: -20.628
Base-Backbone interact. energy: -0.244
local terms energy: -71.039495
where:
bonds (distance) C4'-P energy: -18.935
bonds (distance) P-C4' energy: -16.779
flat angles C4'-P-C4' energy: -18.871
flat angles P-C4'-P energy: -12.497
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: 9, replica: 3
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -91.774547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.774547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.774547 (E_RNA)
where:
Base-Base interactions energy: -27.171
where: short stacking energy: -26.941
Base-Backbone interact. energy: -0.105
local terms energy: -64.498927
where:
bonds (distance) C4'-P energy: -17.697
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: 0.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -81.564180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.564180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.564180 (E_RNA)
where:
Base-Base interactions energy: -28.867
where: short stacking energy: -19.928
Base-Backbone interact. energy: -0.081
local terms energy: -52.616099
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -12.290
tors. eta vs tors. theta energy: 2.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -263.891636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.891636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.891636 (E_RNA)
where:
Base-Base interactions energy: -171.131
where: short stacking energy: -82.367
Base-Backbone interact. energy: -0.093
local terms energy: -92.667624
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -18.181
flat angles C4'-P-C4' energy: -18.179
flat angles P-C4'-P energy: -13.362
tors. eta vs tors. theta energy: -28.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -250.332910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.332910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.332910 (E_RNA)
where:
Base-Base interactions energy: -159.368
where: short stacking energy: -80.349
Base-Backbone interact. energy: -0.197
local terms energy: -90.767397
where:
bonds (distance) C4'-P energy: -20.081
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -19.040
flat angles P-C4'-P energy: -12.576
tors. eta vs tors. theta energy: -24.321
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: 5
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -248.808980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.808980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.808980 (E_RNA)
where:
Base-Base interactions energy: -160.867
where: short stacking energy: -74.275
Base-Backbone interact. energy: -0.012
local terms energy: -87.930010
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -17.822
flat angles C4'-P-C4' energy: -16.864
flat angles P-C4'-P energy: -13.821
tors. eta vs tors. theta energy: -23.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -239.325486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.325486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.325486 (E_RNA)
where:
Base-Base interactions energy: -154.081
where: short stacking energy: -64.335
Base-Backbone interact. energy: -0.058
local terms energy: -85.187048
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -16.306
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -13.721
tors. eta vs tors. theta energy: -24.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -221.183870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.183870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.183870 (E_RNA)
where:
Base-Base interactions energy: -143.537
where: short stacking energy: -70.445
Base-Backbone interact. energy: -0.174
local terms energy: -77.472912
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -13.449
flat angles P-C4'-P energy: -13.688
tors. eta vs tors. theta energy: -20.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -239.964367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.964367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.964367 (E_RNA)
where:
Base-Base interactions energy: -158.504
where: short stacking energy: -70.426
Base-Backbone interact. energy: -0.005
local terms energy: -81.455560
where:
bonds (distance) C4'-P energy: -18.827
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -12.185
tors. eta vs tors. theta energy: -22.010
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: 7
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -101.585978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.585978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.585978 (E_RNA)
where:
Base-Base interactions energy: -39.423
where: short stacking energy: -34.848
Base-Backbone interact. energy: -0.040
local terms energy: -62.123208
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -18.957
flat angles C4'-P-C4' energy: -17.610
flat angles P-C4'-P energy: -9.490
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: 8, replica: 3
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -99.324125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.324125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.324125 (E_RNA)
where:
Base-Base interactions energy: -43.425
where: short stacking energy: -37.430
Base-Backbone interact. energy: -0.236
local terms energy: -55.663031
where:
bonds (distance) C4'-P energy: -6.095
bonds (distance) P-C4' energy: -18.531
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -4.904
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: 9, replica: 1
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -92.016872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.016872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.016872 (E_RNA)
where:
Base-Base interactions energy: -40.566
where: short stacking energy: -40.566
Base-Backbone interact. energy: -0.087
local terms energy: -51.363766
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -8.818
flat angles P-C4'-P energy: -11.444
tors. eta vs tors. theta energy: -2.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -80.771189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.771189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.771189 (E_RNA)
where:
Base-Base interactions energy: -30.117
where: short stacking energy: -22.600
Base-Backbone interact. energy: 0.642
local terms energy: -51.295557
where:
bonds (distance) C4'-P energy: -9.396
bonds (distance) P-C4' energy: -16.042
flat angles C4'-P-C4' energy: -12.281
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -4.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -263.344223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.344223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.344223 (E_RNA)
where:
Base-Base interactions energy: -173.479
where: short stacking energy: -82.092
Base-Backbone interact. energy: -0.142
local terms energy: -89.722711
where:
bonds (distance) C4'-P energy: -15.691
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -18.085
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -26.669
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: 256
Temperature: 0.950000
Total energy: -264.830810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.830810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.830810 (E_RNA)
where:
Base-Base interactions energy: -172.650
where: short stacking energy: -83.989
Base-Backbone interact. energy: -0.020
local terms energy: -92.161239
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -17.966
flat angles C4'-P-C4' energy: -17.677
flat angles P-C4'-P energy: -16.529
tors. eta vs tors. theta energy: -25.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -260.886711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.886711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.886711 (E_RNA)
where:
Base-Base interactions energy: -176.720
where: short stacking energy: -76.978
Base-Backbone interact. energy: 0.167
local terms energy: -84.333259
where:
bonds (distance) C4'-P energy: -12.851
bonds (distance) P-C4' energy: -19.847
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -26.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -251.523456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.523456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.523456 (E_RNA)
where:
Base-Base interactions energy: -159.506
where: short stacking energy: -73.788
Base-Backbone interact. energy: -0.024
local terms energy: -91.994360
where:
bonds (distance) C4'-P energy: -17.904
bonds (distance) P-C4' energy: -19.206
flat angles C4'-P-C4' energy: -17.841
flat angles P-C4'-P energy: -14.398
tors. eta vs tors. theta energy: -22.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -253.861174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.861174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.861174 (E_RNA)
where:
Base-Base interactions energy: -170.889
where: short stacking energy: -78.565
Base-Backbone interact. energy: -0.023
local terms energy: -82.949755
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -17.724
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -22.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -223.963532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.963532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.963532 (E_RNA)
where:
Base-Base interactions energy: -142.439
where: short stacking energy: -65.244
Base-Backbone interact. energy: -0.004
local terms energy: -81.520787
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -19.058
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -20.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -88.305473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.305473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.305473 (E_RNA)
where:
Base-Base interactions energy: -34.732
where: short stacking energy: -25.962
Base-Backbone interact. energy: -0.099
local terms energy: -53.474418
where:
bonds (distance) C4'-P energy: -10.831
bonds (distance) P-C4' energy: -19.486
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: 0.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -97.539443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.539443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.539443 (E_RNA)
where:
Base-Base interactions energy: -38.104
where: short stacking energy: -32.423
Base-Backbone interact. energy: -0.044
local terms energy: -59.391895
where:
bonds (distance) C4'-P energy: -9.784
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -19.088
flat angles P-C4'-P energy: -8.096
tors. eta vs tors. theta energy: -7.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -88.223903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.223903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.223903 (E_RNA)
where:
Base-Base interactions energy: -41.910
where: short stacking energy: -21.364
Base-Backbone interact. energy: 0.409
local terms energy: -46.723271
where:
bonds (distance) C4'-P energy: -19.200
bonds (distance) P-C4' energy: -13.558
flat angles C4'-P-C4' energy: -11.279
flat angles P-C4'-P energy: -7.303
tors. eta vs tors. theta energy: 4.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -88.901047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.901047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.901047 (E_RNA)
where:
Base-Base interactions energy: -29.106
where: short stacking energy: -28.671
Base-Backbone interact. energy: -0.158
local terms energy: -59.637012
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -12.315
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: -5.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -262.173128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.173128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.173128 (E_RNA)
where:
Base-Base interactions energy: -172.192
where: short stacking energy: -83.896
Base-Backbone interact. energy: -0.038
local terms energy: -89.943289
where:
bonds (distance) C4'-P energy: -17.178
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -19.231
flat angles P-C4'-P energy: -12.791
tors. eta vs tors. theta energy: -25.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -256.652324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.652324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.652324 (E_RNA)
where:
Base-Base interactions energy: -168.650
where: short stacking energy: -78.118
Base-Backbone interact. energy: -0.304
local terms energy: -87.698922
where:
bonds (distance) C4'-P energy: -17.470
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -17.330
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -24.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -264.588498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.588498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.588498 (E_RNA)
where:
Base-Base interactions energy: -177.116
where: short stacking energy: -87.091
Base-Backbone interact. energy: 2.978
local terms energy: -90.451399
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -19.545
flat angles C4'-P-C4' energy: -17.066
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -26.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -255.298092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.298092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.298092 (E_RNA)
where:
Base-Base interactions energy: -169.051
where: short stacking energy: -81.156
Base-Backbone interact. energy: -0.123
local terms energy: -86.123843
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -11.647
flat angles C4'-P-C4' energy: -18.431
flat angles P-C4'-P energy: -11.864
tors. eta vs tors. theta energy: -27.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -248.983861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.983861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.983861 (E_RNA)
where:
Base-Base interactions energy: -167.605
where: short stacking energy: -81.584
Base-Backbone interact. energy: -0.094
local terms energy: -81.284384
where:
bonds (distance) C4'-P energy: -9.595
bonds (distance) P-C4' energy: -18.313
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -12.141
tors. eta vs tors. theta energy: -24.066
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: 10
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -217.511676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.511676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.511676 (E_RNA)
where:
Base-Base interactions energy: -150.914
where: short stacking energy: -74.261
Base-Backbone interact. energy: -0.655
local terms energy: -65.942310
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -12.901
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -12.034
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: 7, replica: 7
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -110.187163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.187163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.187163 (E_RNA)
where:
Base-Base interactions energy: -53.507
where: short stacking energy: -33.990
Base-Backbone interact. energy: -0.234
local terms energy: -56.446177
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -8.348
flat angles P-C4'-P energy: -5.832
tors. eta vs tors. theta energy: -11.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -106.834194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.834194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.834194 (E_RNA)
where:
Base-Base interactions energy: -43.796
where: short stacking energy: -40.702
Base-Backbone interact. energy: -0.054
local terms energy: -62.984180
where:
bonds (distance) C4'-P energy: -14.415
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -14.791
flat angles P-C4'-P energy: -13.350
tors. eta vs tors. theta energy: -3.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -94.617270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.617270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.617270 (E_RNA)
where:
Base-Base interactions energy: -40.292
where: short stacking energy: -29.662
Base-Backbone interact. energy: -0.158
local terms energy: -54.167715
where:
bonds (distance) C4'-P energy: -18.578
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -9.949
flat angles P-C4'-P energy: -11.105
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: 1
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -91.405468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.405468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.405468 (E_RNA)
where:
Base-Base interactions energy: -33.023
where: short stacking energy: -28.801
Base-Backbone interact. energy: -0.209
local terms energy: -58.173481
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -10.315
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -3.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -264.441259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.441259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.441259 (E_RNA)
where:
Base-Base interactions energy: -172.485
where: short stacking energy: -81.029
Base-Backbone interact. energy: -0.017
local terms energy: -91.940177
where:
bonds (distance) C4'-P energy: -15.451
bonds (distance) P-C4' energy: -17.947
flat angles C4'-P-C4' energy: -18.367
flat angles P-C4'-P energy: -12.662
tors. eta vs tors. theta energy: -27.514
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: 2, replica: 9
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -257.540969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.540969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.540969 (E_RNA)
where:
Base-Base interactions energy: -170.888
where: short stacking energy: -82.495
Base-Backbone interact. energy: -0.045
local terms energy: -86.607919
where:
bonds (distance) C4'-P energy: -18.889
bonds (distance) P-C4' energy: -12.600
flat angles C4'-P-C4' energy: -19.306
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -24.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -241.434077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.434077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.434077 (E_RNA)
where:
Base-Base interactions energy: -156.476
where: short stacking energy: -74.396
Base-Backbone interact. energy: -0.004
local terms energy: -84.954305
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -12.211
flat angles C4'-P-C4' energy: -17.383
flat angles P-C4'-P energy: -15.798
tors. eta vs tors. theta energy: -23.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -250.321120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.321120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.321120 (E_RNA)
where:
Base-Base interactions energy: -163.380
where: short stacking energy: -75.267
Base-Backbone interact. energy: -0.187
local terms energy: -86.753785
where:
bonds (distance) C4'-P energy: -16.484
bonds (distance) P-C4' energy: -16.122
flat angles C4'-P-C4' energy: -18.582
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -25.553
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: 5
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -227.481102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.481102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.481102 (E_RNA)
where:
Base-Base interactions energy: -145.150
where: short stacking energy: -69.702
Base-Backbone interact. energy: -0.003
local terms energy: -82.327741
where:
bonds (distance) C4'-P energy: -18.553
bonds (distance) P-C4' energy: -15.129
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -22.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -223.258498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.258498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.258498 (E_RNA)
where:
Base-Base interactions energy: -147.156
where: short stacking energy: -65.299
Base-Backbone interact. energy: -0.131
local terms energy: -75.971854
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -19.010
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -10.090
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: 7, replica: 7
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -135.988809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.988809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.988809 (E_RNA)
where:
Base-Base interactions energy: -72.247
where: short stacking energy: -40.533
Base-Backbone interact. energy: -0.030
local terms energy: -63.711754
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -16.767
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -7.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -87.409757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.409757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.409757 (E_RNA)
where:
Base-Base interactions energy: -31.663
where: short stacking energy: -25.557
Base-Backbone interact. energy: -0.356
local terms energy: -55.391173
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -18.685
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -2.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -87.132030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.132030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.132030 (E_RNA)
where:
Base-Base interactions energy: -29.260
where: short stacking energy: -23.678
Base-Backbone interact. energy: -0.386
local terms energy: -57.486411
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -20.699
flat angles C4'-P-C4' energy: -9.222
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -1.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -76.546677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.546677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.546677 (E_RNA)
where:
Base-Base interactions energy: -38.039
where: short stacking energy: -28.238
Base-Backbone interact. energy: -0.220
local terms energy: -38.287658
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -17.784
flat angles P-C4'-P energy: 5.574
tors. eta vs tors. theta energy: 1.297
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: 259
Temperature: 0.900000
Total energy: -263.477492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.477492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.477492 (E_RNA)
where:
Base-Base interactions energy: -169.844
where: short stacking energy: -78.179
Base-Backbone interact. energy: -0.068
local terms energy: -93.565140
where:
bonds (distance) C4'-P energy: -18.689
bonds (distance) P-C4' energy: -19.711
flat angles C4'-P-C4' energy: -17.849
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: -25.718
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: 9
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -253.867700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.867700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.867700 (E_RNA)
where:
Base-Base interactions energy: -162.886
where: short stacking energy: -76.240
Base-Backbone interact. energy: -0.144
local terms energy: -90.837818
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -20.314
flat angles P-C4'-P energy: -13.671
tors. eta vs tors. theta energy: -23.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -262.751061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.751061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.751061 (E_RNA)
where:
Base-Base interactions energy: -172.635
where: short stacking energy: -75.364
Base-Backbone interact. energy: -0.005
local terms energy: -90.111370
where:
bonds (distance) C4'-P energy: -17.642
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -14.650
tors. eta vs tors. theta energy: -23.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -245.687024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.687024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.687024 (E_RNA)
where:
Base-Base interactions energy: -169.450
where: short stacking energy: -75.517
Base-Backbone interact. energy: -0.001
local terms energy: -76.236014
where:
bonds (distance) C4'-P energy: -10.655
bonds (distance) P-C4' energy: -13.975
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: -24.532
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: 6
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -252.387531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.387531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.387531 (E_RNA)
where:
Base-Base interactions energy: -160.400
where: short stacking energy: -80.802
Base-Backbone interact. energy: 0.095
local terms energy: -92.082287
where:
bonds (distance) C4'-P energy: -16.946
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -19.434
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: -28.040
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: 10
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -207.502342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.502342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.502342 (E_RNA)
where:
Base-Base interactions energy: -136.444
where: short stacking energy: -55.783
Base-Backbone interact. energy: -0.190
local terms energy: -70.868860
where:
bonds (distance) C4'-P energy: -12.250
bonds (distance) P-C4' energy: -16.517
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -7.969
tors. eta vs tors. theta energy: -17.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -150.039271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.039271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.039271 (E_RNA)
where:
Base-Base interactions energy: -83.233
where: short stacking energy: -48.859
Base-Backbone interact. energy: 1.017
local terms energy: -67.823124
where:
bonds (distance) C4'-P energy: -16.301
bonds (distance) P-C4' energy: -18.212
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -8.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -115.886020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.886020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.886020 (E_RNA)
where:
Base-Base interactions energy: -62.426
where: short stacking energy: -25.072
Base-Backbone interact. energy: -0.928
local terms energy: -52.531564
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: 0.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -80.664754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.664754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.664754 (E_RNA)
where:
Base-Base interactions energy: -25.409
where: short stacking energy: -23.138
Base-Backbone interact. energy: -0.066
local terms energy: -55.189226
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -11.721
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: 10, replica: 3
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -86.262311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.262311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.262311 (E_RNA)
where:
Base-Base interactions energy: -38.334
where: short stacking energy: -33.456
Base-Backbone interact. energy: -0.084
local terms energy: -47.844808
where:
bonds (distance) C4'-P energy: -9.815
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -4.783
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: 9
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -256.996187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.996187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.996187 (E_RNA)
where:
Base-Base interactions energy: -165.404
where: short stacking energy: -83.183
Base-Backbone interact. energy: -0.153
local terms energy: -91.439355
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -18.055
flat angles C4'-P-C4' energy: -19.079
flat angles P-C4'-P energy: -15.332
tors. eta vs tors. theta energy: -22.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -260.108578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.108578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.108578 (E_RNA)
where:
Base-Base interactions energy: -170.109
where: short stacking energy: -82.838
Base-Backbone interact. energy: -0.276
local terms energy: -89.723629
where:
bonds (distance) C4'-P energy: -16.284
bonds (distance) P-C4' energy: -17.778
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -13.039
tors. eta vs tors. theta energy: -26.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -261.840065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.840065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.840065 (E_RNA)
where:
Base-Base interactions energy: -175.044
where: short stacking energy: -78.825
Base-Backbone interact. energy: -0.065
local terms energy: -86.731430
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -15.581
flat angles C4'-P-C4' energy: -17.090
flat angles P-C4'-P energy: -12.940
tors. eta vs tors. theta energy: -26.069
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: 5
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -249.246226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.246226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.246226 (E_RNA)
where:
Base-Base interactions energy: -167.129
where: short stacking energy: -70.253
Base-Backbone interact. energy: -1.054
local terms energy: -81.063026
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -16.307
flat angles P-C4'-P energy: -13.388
tors. eta vs tors. theta energy: -23.529
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: 6
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -253.819450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.819450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.819450 (E_RNA)
where:
Base-Base interactions energy: -169.683
where: short stacking energy: -81.375
Base-Backbone interact. energy: -0.024
local terms energy: -84.112732
where:
bonds (distance) C4'-P energy: -17.293
bonds (distance) P-C4' energy: -11.592
flat angles C4'-P-C4' energy: -19.036
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -23.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -234.337735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.337735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.337735 (E_RNA)
where:
Base-Base interactions energy: -157.028
where: short stacking energy: -66.497
Base-Backbone interact. energy: -0.683
local terms energy: -76.627245
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -15.295
flat angles C4'-P-C4' energy: -19.072
flat angles P-C4'-P energy: -13.600
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: 7, replica: 1
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -118.227285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.227285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.227285 (E_RNA)
where:
Base-Base interactions energy: -63.165
where: short stacking energy: -32.319
Base-Backbone interact. energy: -1.026
local terms energy: -54.036134
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -6.139
tors. eta vs tors. theta energy: -5.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -137.736789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.736789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.736789 (E_RNA)
where:
Base-Base interactions energy: -77.410
where: short stacking energy: -44.886
Base-Backbone interact. energy: -0.267
local terms energy: -60.059653
where:
bonds (distance) C4'-P energy: -12.655
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -17.233
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -7.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -81.245300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.245300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.245300 (E_RNA)
where:
Base-Base interactions energy: -35.032
where: short stacking energy: -16.790
Base-Backbone interact. energy: -1.160
local terms energy: -45.052966
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -3.204
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: 10, replica: 8
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -92.011916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.011916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.011916 (E_RNA)
where:
Base-Base interactions energy: -30.312
where: short stacking energy: -17.195
Base-Backbone interact. energy: -0.153
local terms energy: -61.546893
where:
bonds (distance) C4'-P energy: -16.194
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -2.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -269.227723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.227723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.227723 (E_RNA)
where:
Base-Base interactions energy: -181.171
where: short stacking energy: -86.656
Base-Backbone interact. energy: -0.291
local terms energy: -87.766601
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -17.524
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -26.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -265.121146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.121146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.121146 (E_RNA)
where:
Base-Base interactions energy: -179.122
where: short stacking energy: -84.553
Base-Backbone interact. energy: -0.130
local terms energy: -85.868393
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -19.274
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -25.997
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: 261
Temperature: 1.000000
Total energy: -257.043140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.043140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.043140 (E_RNA)
where:
Base-Base interactions energy: -166.112
where: short stacking energy: -78.070
Base-Backbone interact. energy: -0.027
local terms energy: -90.903440
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -19.151
flat angles C4'-P-C4' energy: -18.673
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -26.153
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: 4, replica: 5
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -245.990085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.990085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.990085 (E_RNA)
where:
Base-Base interactions energy: -161.867
where: short stacking energy: -76.230
Base-Backbone interact. energy: -0.297
local terms energy: -83.826535
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -10.898
flat angles C4'-P-C4' energy: -17.424
flat angles P-C4'-P energy: -12.946
tors. eta vs tors. theta energy: -25.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -237.803436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.803436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.803436 (E_RNA)
where:
Base-Base interactions energy: -154.215
where: short stacking energy: -67.579
Base-Backbone interact. energy: -0.064
local terms energy: -83.524235
where:
bonds (distance) C4'-P energy: -18.839
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -18.740
flat angles P-C4'-P energy: -12.482
tors. eta vs tors. theta energy: -20.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -233.603778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.603778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.603778 (E_RNA)
where:
Base-Base interactions energy: -160.367
where: short stacking energy: -69.551
Base-Backbone interact. energy: -0.162
local terms energy: -73.074416
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -13.226
tors. eta vs tors. theta energy: -20.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -104.066496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.066496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.066496 (E_RNA)
where:
Base-Base interactions energy: -48.227
where: short stacking energy: -40.996
Base-Backbone interact. energy: -0.215
local terms energy: -55.624975
where:
bonds (distance) C4'-P energy: -9.537
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -9.924
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: 7
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -98.013624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.013624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.013624 (E_RNA)
where:
Base-Base interactions energy: -48.053
where: short stacking energy: -31.550
Base-Backbone interact. energy: 1.224
local terms energy: -51.184279
where:
bonds (distance) C4'-P energy: -14.867
bonds (distance) P-C4' energy: -13.890
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -1.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -90.240110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.240110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.240110 (E_RNA)
where:
Base-Base interactions energy: -27.755
where: short stacking energy: -27.604
Base-Backbone interact. energy: -0.093
local terms energy: -62.391813
where:
bonds (distance) C4'-P energy: -10.372
bonds (distance) P-C4' energy: -19.049
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -6.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -89.545608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.545608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.545608 (E_RNA)
where:
Base-Base interactions energy: -34.021
where: short stacking energy: -16.799
Base-Backbone interact. energy: -0.181
local terms energy: -55.343601
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -16.123
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: 1.312
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: 9
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -264.447708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.447708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.447708 (E_RNA)
where:
Base-Base interactions energy: -172.922
where: short stacking energy: -78.343
Base-Backbone interact. energy: 1.735
local terms energy: -93.261054
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -17.501
flat angles C4'-P-C4' energy: -19.992
flat angles P-C4'-P energy: -13.253
tors. eta vs tors. theta energy: -26.345
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: 2
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -257.614902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.614902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.614902 (E_RNA)
where:
Base-Base interactions energy: -168.971
where: short stacking energy: -81.766
Base-Backbone interact. energy: -0.012
local terms energy: -88.631797
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -18.450
flat angles C4'-P-C4' energy: -16.651
flat angles P-C4'-P energy: -13.730
tors. eta vs tors. theta energy: -27.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -250.654660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.654660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.654660 (E_RNA)
where:
Base-Base interactions energy: -164.339
where: short stacking energy: -78.394
Base-Backbone interact. energy: -0.085
local terms energy: -86.230601
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -18.694
flat angles P-C4'-P energy: -12.742
tors. eta vs tors. theta energy: -24.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -249.632200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.632200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.632200 (E_RNA)
where:
Base-Base interactions energy: -165.763
where: short stacking energy: -79.495
Base-Backbone interact. energy: -0.000
local terms energy: -83.869204
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -24.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -225.109109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.109109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.109109 (E_RNA)
where:
Base-Base interactions energy: -138.579
where: short stacking energy: -64.902
Base-Backbone interact. energy: -0.084
local terms energy: -86.445429
where:
bonds (distance) C4'-P energy: -17.908
bonds (distance) P-C4' energy: -18.359
flat angles C4'-P-C4' energy: -18.306
flat angles P-C4'-P energy: -8.660
tors. eta vs tors. theta energy: -23.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -228.346907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.346907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.346907 (E_RNA)
where:
Base-Base interactions energy: -152.296
where: short stacking energy: -72.725
Base-Backbone interact. energy: -0.025
local terms energy: -76.025651
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -13.446
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -22.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -97.869278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.869278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.869278 (E_RNA)
where:
Base-Base interactions energy: -37.634
where: short stacking energy: -31.714
Base-Backbone interact. energy: -0.053
local terms energy: -60.182007
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -12.536
tors. eta vs tors. theta energy: -2.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -118.071238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.071238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.071238 (E_RNA)
where:
Base-Base interactions energy: -65.458
where: short stacking energy: -41.536
Base-Backbone interact. energy: 0.151
local terms energy: -52.764188
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -16.719
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -3.440
tors. eta vs tors. theta energy: -3.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -96.422450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.422450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.422450 (E_RNA)
where:
Base-Base interactions energy: -43.037
where: short stacking energy: -26.844
Base-Backbone interact. energy: 0.829
local terms energy: -54.214214
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -6.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -93.200149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.200149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.200149 (E_RNA)
where:
Base-Base interactions energy: -42.477
where: short stacking energy: -24.475
Base-Backbone interact. energy: 0.044
local terms energy: -50.767844
where:
bonds (distance) C4'-P energy: -9.221
bonds (distance) P-C4' energy: -17.998
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -5.749
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: 1, replica: 9
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -266.853877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.853877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.853877 (E_RNA)
where:
Base-Base interactions energy: -171.146
where: short stacking energy: -79.370
Base-Backbone interact. energy: -0.031
local terms energy: -95.677290
where:
bonds (distance) C4'-P energy: -17.128
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -21.114
flat angles P-C4'-P energy: -13.361
tors. eta vs tors. theta energy: -27.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -255.861841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.861841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.861841 (E_RNA)
where:
Base-Base interactions energy: -163.003
where: short stacking energy: -73.098
Base-Backbone interact. energy: -0.057
local terms energy: -92.801343
where:
bonds (distance) C4'-P energy: -19.431
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -18.562
flat angles P-C4'-P energy: -12.546
tors. eta vs tors. theta energy: -24.811
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: 3, replica: 5
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -248.099379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.099379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.099379 (E_RNA)
where:
Base-Base interactions energy: -163.989
where: short stacking energy: -81.469
Base-Backbone interact. energy: 0.184
local terms energy: -84.294590
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -15.345
flat angles C4'-P-C4' energy: -19.843
flat angles P-C4'-P energy: -11.686
tors. eta vs tors. theta energy: -23.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -242.093258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.093258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.093258 (E_RNA)
where:
Base-Base interactions energy: -159.975
where: short stacking energy: -73.445
Base-Backbone interact. energy: -0.212
local terms energy: -81.906650
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -16.052
tors. eta vs tors. theta energy: -23.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -239.884091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.884091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.884091 (E_RNA)
where:
Base-Base interactions energy: -156.940
where: short stacking energy: -72.814
Base-Backbone interact. energy: 0.671
local terms energy: -83.614725
where:
bonds (distance) C4'-P energy: -17.903
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -25.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -223.612011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.612011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.612011 (E_RNA)
where:
Base-Base interactions energy: -148.471
where: short stacking energy: -70.851
Base-Backbone interact. energy: -0.051
local terms energy: -75.089711
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -12.914
flat angles C4'-P-C4' energy: -17.543
flat angles P-C4'-P energy: -12.440
tors. eta vs tors. theta energy: -17.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -96.288168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.288168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.288168 (E_RNA)
where:
Base-Base interactions energy: -36.667
where: short stacking energy: -31.938
Base-Backbone interact. energy: -0.638
local terms energy: -58.983731
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -18.582
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -5.592
tors. eta vs tors. theta energy: -2.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -86.070527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.070527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.070527 (E_RNA)
where:
Base-Base interactions energy: -23.662
where: short stacking energy: -23.662
Base-Backbone interact. energy: -0.117
local terms energy: -62.291759
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -16.872
flat angles C4'-P-C4' energy: -14.573
flat angles P-C4'-P energy: -7.666
tors. eta vs tors. theta energy: -7.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -88.145562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.145562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.145562 (E_RNA)
where:
Base-Base interactions energy: -32.361
where: short stacking energy: -23.071
Base-Backbone interact. energy: -0.116
local terms energy: -55.668641
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -20.824
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -3.937
tors. eta vs tors. theta energy: -2.172
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: 263
Temperature: 1.350000
Total energy: -94.193765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.193765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.193765 (E_RNA)
where:
Base-Base interactions energy: -52.816
where: short stacking energy: -20.402
Base-Backbone interact. energy: 2.166
local terms energy: -43.544052
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -6.635
flat angles P-C4'-P energy: -2.712
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: 1, replica: 9
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -272.074966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.074966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.074966 (E_RNA)
where:
Base-Base interactions energy: -176.348
where: short stacking energy: -82.564
Base-Backbone interact. energy: -0.005
local terms energy: -95.722478
where:
bonds (distance) C4'-P energy: -16.674
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -19.200
flat angles P-C4'-P energy: -15.216
tors. eta vs tors. theta energy: -27.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -265.868909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.868909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.868909 (E_RNA)
where:
Base-Base interactions energy: -176.517
where: short stacking energy: -92.079
Base-Backbone interact. energy: -0.004
local terms energy: -89.348351
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -12.639
tors. eta vs tors. theta energy: -27.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -256.801394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.801394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.801394 (E_RNA)
where:
Base-Base interactions energy: -169.706
where: short stacking energy: -81.740
Base-Backbone interact. energy: -0.167
local terms energy: -86.927782
where:
bonds (distance) C4'-P energy: -15.040
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -20.074
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -26.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -255.023796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.023796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.023796 (E_RNA)
where:
Base-Base interactions energy: -167.556
where: short stacking energy: -78.617
Base-Backbone interact. energy: -0.050
local terms energy: -87.418546
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -19.566
flat angles P-C4'-P energy: -12.665
tors. eta vs tors. theta energy: -23.214
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: 264
Temperature: 1.100000
Total energy: -227.693900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.693900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.693900 (E_RNA)
where:
Base-Base interactions energy: -151.160
where: short stacking energy: -75.086
Base-Backbone interact. energy: -0.016
local terms energy: -76.518515
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -18.586
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: -22.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -243.301234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.301234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.301234 (E_RNA)
where:
Base-Base interactions energy: -160.034
where: short stacking energy: -69.471
Base-Backbone interact. energy: -0.003
local terms energy: -83.263940
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -19.700
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -6.246
tors. eta vs tors. theta energy: -26.803
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: 8
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -108.343660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.343660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.343660 (E_RNA)
where:
Base-Base interactions energy: -47.708
where: short stacking energy: -38.439
Base-Backbone interact. energy: -0.342
local terms energy: -60.294294
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -7.032
tors. eta vs tors. theta energy: -8.409
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: 1
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -101.203741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.203741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.203741 (E_RNA)
where:
Base-Base interactions energy: -48.235
where: short stacking energy: -32.115
Base-Backbone interact. energy: -0.933
local terms energy: -52.036111
where:
bonds (distance) C4'-P energy: -11.267
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -12.208
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -1.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -83.171209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.171209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.171209 (E_RNA)
where:
Base-Base interactions energy: -28.195
where: short stacking energy: -25.163
Base-Backbone interact. energy: -0.750
local terms energy: -54.226739
where:
bonds (distance) C4'-P energy: -12.415
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -17.350
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: 2.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -91.276794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.276794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.276794 (E_RNA)
where:
Base-Base interactions energy: -38.663
where: short stacking energy: -29.202
Base-Backbone interact. energy: -0.198
local terms energy: -52.416208
where:
bonds (distance) C4'-P energy: -17.256
bonds (distance) P-C4' energy: -15.429
flat angles C4'-P-C4' energy: -12.780
flat angles P-C4'-P energy: -5.288
tors. eta vs tors. theta energy: -1.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -271.957351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.957351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.957351 (E_RNA)
where:
Base-Base interactions energy: -182.015
where: short stacking energy: -83.409
Base-Backbone interact. energy: -0.036
local terms energy: -89.906188
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -17.075
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -26.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -267.614115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.614115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.614115 (E_RNA)
where:
Base-Base interactions energy: -177.422
where: short stacking energy: -86.136
Base-Backbone interact. energy: -0.044
local terms energy: -90.148563
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -17.990
flat angles C4'-P-C4' energy: -19.973
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: -27.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -242.182989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.182989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.182989 (E_RNA)
where:
Base-Base interactions energy: -152.402
where: short stacking energy: -71.507
Base-Backbone interact. energy: -0.041
local terms energy: -89.739484
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -19.973
flat angles P-C4'-P energy: -15.632
tors. eta vs tors. theta energy: -24.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -242.260050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.260050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.260050 (E_RNA)
where:
Base-Base interactions energy: -160.121
where: short stacking energy: -81.882
Base-Backbone interact. energy: -0.020
local terms energy: -82.118888
where:
bonds (distance) C4'-P energy: -18.819
bonds (distance) P-C4' energy: -10.490
flat angles C4'-P-C4' energy: -20.434
flat angles P-C4'-P energy: -9.615
tors. eta vs tors. theta energy: -22.761
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: 5
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -224.496132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.496132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.496132 (E_RNA)
where:
Base-Base interactions energy: -143.312
where: short stacking energy: -59.462
Base-Backbone interact. energy: -0.206
local terms energy: -80.978238
where:
bonds (distance) C4'-P energy: -17.644
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -12.784
tors. eta vs tors. theta energy: -20.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -230.229923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.229923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.229923 (E_RNA)
where:
Base-Base interactions energy: -148.598
where: short stacking energy: -71.878
Base-Backbone interact. energy: 0.874
local terms energy: -82.506716
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -16.039
flat angles C4'-P-C4' energy: -18.354
flat angles P-C4'-P energy: -13.272
tors. eta vs tors. theta energy: -22.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -94.276114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.276114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.276114 (E_RNA)
where:
Base-Base interactions energy: -34.870
where: short stacking energy: -34.870
Base-Backbone interact. energy: -0.302
local terms energy: -59.104297
where:
bonds (distance) C4'-P energy: -12.021
bonds (distance) P-C4' energy: -15.918
flat angles C4'-P-C4' energy: -12.501
flat angles P-C4'-P energy: -14.363
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: 8, replica: 3
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -89.789442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.789442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.789442 (E_RNA)
where:
Base-Base interactions energy: -31.421
where: short stacking energy: -30.428
Base-Backbone interact. energy: -0.433
local terms energy: -57.934696
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -11.090
flat angles P-C4'-P energy: -8.810
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: 1
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -97.625677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.625677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.625677 (E_RNA)
where:
Base-Base interactions energy: -46.251
where: short stacking energy: -35.959
Base-Backbone interact. energy: -0.338
local terms energy: -51.036836
where:
bonds (distance) C4'-P energy: -5.363
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -8.547
flat angles P-C4'-P energy: -14.668
tors. eta vs tors. theta energy: -5.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -85.104578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.104578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.104578 (E_RNA)
where:
Base-Base interactions energy: -26.245
where: short stacking energy: -23.544
Base-Backbone interact. energy: -0.186
local terms energy: -58.673708
where:
bonds (distance) C4'-P energy: -10.654
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -13.378
tors. eta vs tors. theta energy: -3.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -269.747624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.747624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.747624 (E_RNA)
where:
Base-Base interactions energy: -174.756
where: short stacking energy: -84.183
Base-Backbone interact. energy: -0.003
local terms energy: -94.988505
where:
bonds (distance) C4'-P energy: -13.711
bonds (distance) P-C4' energy: -19.781
flat angles C4'-P-C4' energy: -20.709
flat angles P-C4'-P energy: -13.324
tors. eta vs tors. theta energy: -27.464
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: 9
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -256.833252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.833252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.833252 (E_RNA)
where:
Base-Base interactions energy: -163.918
where: short stacking energy: -82.548
Base-Backbone interact. energy: -0.053
local terms energy: -92.862197
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -17.515
flat angles C4'-P-C4' energy: -18.377
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -27.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -252.504989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.504989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.504989 (E_RNA)
where:
Base-Base interactions energy: -159.541
where: short stacking energy: -78.338
Base-Backbone interact. energy: -0.219
local terms energy: -92.744229
where:
bonds (distance) C4'-P energy: -19.386
bonds (distance) P-C4' energy: -15.940
flat angles C4'-P-C4' energy: -19.413
flat angles P-C4'-P energy: -15.031
tors. eta vs tors. theta energy: -22.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -245.514061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.514061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.514061 (E_RNA)
where:
Base-Base interactions energy: -166.624
where: short stacking energy: -81.556
Base-Backbone interact. energy: -0.193
local terms energy: -78.697121
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -16.122
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -20.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -253.350888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.350888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.350888 (E_RNA)
where:
Base-Base interactions energy: -165.418
where: short stacking energy: -77.844
Base-Backbone interact. energy: -0.004
local terms energy: -87.929437
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -14.391
flat angles C4'-P-C4' energy: -19.209
flat angles P-C4'-P energy: -11.820
tors. eta vs tors. theta energy: -27.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -217.174546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.174546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.174546 (E_RNA)
where:
Base-Base interactions energy: -148.713
where: short stacking energy: -67.611
Base-Backbone interact. energy: -0.112
local terms energy: -68.349203
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -10.180
flat angles C4'-P-C4' energy: -16.504
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: -18.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -98.987382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.987382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.987382 (E_RNA)
where:
Base-Base interactions energy: -39.350
where: short stacking energy: -22.980
Base-Backbone interact. energy: -0.326
local terms energy: -59.310847
where:
bonds (distance) C4'-P energy: -17.518
bonds (distance) P-C4' energy: -14.710
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -7.642
tors. eta vs tors. theta energy: -6.567
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: 3
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -98.591939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.591939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.591939 (E_RNA)
where:
Base-Base interactions energy: -46.438
where: short stacking energy: -33.708
Base-Backbone interact. energy: -0.101
local terms energy: -52.053371
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -19.919
flat angles C4'-P-C4' energy: -9.508
flat angles P-C4'-P energy: -7.636
tors. eta vs tors. theta energy: -1.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -94.208553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.208553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.208553 (E_RNA)
where:
Base-Base interactions energy: -39.462
where: short stacking energy: -37.736
Base-Backbone interact. energy: -0.009
local terms energy: -54.737957
where:
bonds (distance) C4'-P energy: -8.772
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -12.823
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -7.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -77.948725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.948725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.948725 (E_RNA)
where:
Base-Base interactions energy: -28.008
where: short stacking energy: -16.170
Base-Backbone interact. energy: -0.369
local terms energy: -49.572244
where:
bonds (distance) C4'-P energy: -10.736
bonds (distance) P-C4' energy: -18.044
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -5.439
tors. eta vs tors. theta energy: -1.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -260.392743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.392743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.392743 (E_RNA)
where:
Base-Base interactions energy: -172.578
where: short stacking energy: -79.312
Base-Backbone interact. energy: -0.067
local terms energy: -87.747125
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -11.958
flat angles C4'-P-C4' energy: -19.298
flat angles P-C4'-P energy: -13.281
tors. eta vs tors. theta energy: -26.478
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: 6
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -260.397470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.397470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.397470 (E_RNA)
where:
Base-Base interactions energy: -169.028
where: short stacking energy: -87.987
Base-Backbone interact. energy: -0.027
local terms energy: -91.343274
where:
bonds (distance) C4'-P energy: -17.117
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -20.247
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -25.792
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: 9
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -248.589303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.589303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.589303 (E_RNA)
where:
Base-Base interactions energy: -163.548
where: short stacking energy: -82.014
Base-Backbone interact. energy: -0.001
local terms energy: -85.039713
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -17.815
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -22.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -246.444268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.444268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.444268 (E_RNA)
where:
Base-Base interactions energy: -160.377
where: short stacking energy: -74.449
Base-Backbone interact. energy: 0.697
local terms energy: -86.765151
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -13.088
tors. eta vs tors. theta energy: -26.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -227.955854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.955854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.955854 (E_RNA)
where:
Base-Base interactions energy: -150.305
where: short stacking energy: -69.480
Base-Backbone interact. energy: -0.020
local terms energy: -77.630565
where:
bonds (distance) C4'-P energy: -16.479
bonds (distance) P-C4' energy: -16.059
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -17.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -246.768962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.768962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.768962 (E_RNA)
where:
Base-Base interactions energy: -156.729
where: short stacking energy: -73.737
Base-Backbone interact. energy: -0.029
local terms energy: -90.011238
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -14.316
tors. eta vs tors. theta energy: -25.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -111.955283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.955283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.955283 (E_RNA)
where:
Base-Base interactions energy: -51.887
where: short stacking energy: -43.014
Base-Backbone interact. energy: -0.535
local terms energy: -59.533736
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -11.790
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -8.551
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: 8, replica: 3
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -90.179794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.179794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.179794 (E_RNA)
where:
Base-Base interactions energy: -40.914
where: short stacking energy: -31.954
Base-Backbone interact. energy: -0.095
local terms energy: -49.171098
where:
bonds (distance) C4'-P energy: -8.651
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -9.340
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: 9, replica: 7
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -88.209162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.209162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.209162 (E_RNA)
where:
Base-Base interactions energy: -32.943
where: short stacking energy: -28.831
Base-Backbone interact. energy: -0.341
local terms energy: -54.925197
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -10.916
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -10.337
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: 10, replica: 1
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -82.549864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.549864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.549864 (E_RNA)
where:
Base-Base interactions energy: -32.520
where: short stacking energy: -28.045
Base-Backbone interact. energy: -1.125
local terms energy: -48.905235
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: 3.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -266.094937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.094937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.094937 (E_RNA)
where:
Base-Base interactions energy: -174.206
where: short stacking energy: -85.363
Base-Backbone interact. energy: -0.065
local terms energy: -91.823549
where:
bonds (distance) C4'-P energy: -15.231
bonds (distance) P-C4' energy: -18.633
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -16.704
tors. eta vs tors. theta energy: -26.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -252.125005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.125005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.125005 (E_RNA)
where:
Base-Base interactions energy: -167.103
where: short stacking energy: -76.832
Base-Backbone interact. energy: -0.040
local terms energy: -84.981710
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -18.482
flat angles P-C4'-P energy: -12.639
tors. eta vs tors. theta energy: -22.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -259.507543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.507543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.507543 (E_RNA)
where:
Base-Base interactions energy: -175.316
where: short stacking energy: -84.848
Base-Backbone interact. energy: -0.080
local terms energy: -84.112171
where:
bonds (distance) C4'-P energy: -12.303
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -27.476
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: 268
Temperature: 1.050000
Total energy: -253.901514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.901514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.901514 (E_RNA)
where:
Base-Base interactions energy: -165.008
where: short stacking energy: -85.241
Base-Backbone interact. energy: -0.000
local terms energy: -88.893033
where:
bonds (distance) C4'-P energy: -10.244
bonds (distance) P-C4' energy: -19.918
flat angles C4'-P-C4' energy: -19.238
flat angles P-C4'-P energy: -14.113
tors. eta vs tors. theta energy: -25.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -230.474815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.474815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.474815 (E_RNA)
where:
Base-Base interactions energy: -151.624
where: short stacking energy: -72.208
Base-Backbone interact. energy: -0.343
local terms energy: -78.507928
where:
bonds (distance) C4'-P energy: -15.892
bonds (distance) P-C4' energy: -14.984
flat angles C4'-P-C4' energy: -13.298
flat angles P-C4'-P energy: -12.276
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: 6, replica: 5
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -207.273057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.273057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.273057 (E_RNA)
where:
Base-Base interactions energy: -126.221
where: short stacking energy: -61.367
Base-Backbone interact. energy: -0.429
local terms energy: -80.622596
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -17.683
flat angles P-C4'-P energy: -16.173
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: 7, replica: 8
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -108.195455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.195455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.195455 (E_RNA)
where:
Base-Base interactions energy: -42.692
where: short stacking energy: -25.064
Base-Backbone interact. energy: -0.122
local terms energy: -65.381980
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -15.407
flat angles P-C4'-P energy: -11.106
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: 8, replica: 3
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -84.378759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.378759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.378759 (E_RNA)
where:
Base-Base interactions energy: -35.355
where: short stacking energy: -27.405
Base-Backbone interact. energy: -1.633
local terms energy: -47.390406
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -12.620
flat angles C4'-P-C4' energy: -9.033
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: 0.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -90.862857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.862857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.862857 (E_RNA)
where:
Base-Base interactions energy: -39.239
where: short stacking energy: -26.408
Base-Backbone interact. energy: -0.270
local terms energy: -51.353832
where:
bonds (distance) C4'-P energy: -14.825
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -6.510
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: 10, replica: 1
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -85.251380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.251380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.251380 (E_RNA)
where:
Base-Base interactions energy: -28.248
where: short stacking energy: -28.248
Base-Backbone interact. energy: -0.119
local terms energy: -56.884475
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -7.191
tors. eta vs tors. theta energy: -1.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -267.778916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.778916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.778916 (E_RNA)
where:
Base-Base interactions energy: -172.709
where: short stacking energy: -78.492
Base-Backbone interact. energy: -0.095
local terms energy: -94.975228
where:
bonds (distance) C4'-P energy: -17.879
bonds (distance) P-C4' energy: -17.372
flat angles C4'-P-C4' energy: -18.103
flat angles P-C4'-P energy: -14.516
tors. eta vs tors. theta energy: -27.106
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: 2, replica: 10
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -257.208292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.208292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.208292 (E_RNA)
where:
Base-Base interactions energy: -168.000
where: short stacking energy: -78.757
Base-Backbone interact. energy: -0.011
local terms energy: -89.197766
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -16.834
flat angles P-C4'-P energy: -14.321
tors. eta vs tors. theta energy: -27.940
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: 269
Temperature: 1.000000
Total energy: -248.211640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.211640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.211640 (E_RNA)
where:
Base-Base interactions energy: -162.323
where: short stacking energy: -70.072
Base-Backbone interact. energy: 0.223
local terms energy: -86.112023
where:
bonds (distance) C4'-P energy: -19.104
bonds (distance) P-C4' energy: -19.733
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -23.988
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: 9
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -239.498845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.498845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.498845 (E_RNA)
where:
Base-Base interactions energy: -164.526
where: short stacking energy: -80.200
Base-Backbone interact. energy: -0.100
local terms energy: -74.872377
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -5.827
tors. eta vs tors. theta energy: -25.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -224.822662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.822662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.822662 (E_RNA)
where:
Base-Base interactions energy: -153.362
where: short stacking energy: -74.428
Base-Backbone interact. energy: 1.465
local terms energy: -72.925450
where:
bonds (distance) C4'-P energy: -9.796
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -17.299
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -21.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -215.580690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.580690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.580690 (E_RNA)
where:
Base-Base interactions energy: -136.714
where: short stacking energy: -61.817
Base-Backbone interact. energy: -0.237
local terms energy: -78.629271
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -16.736
flat angles P-C4'-P energy: -13.392
tors. eta vs tors. theta energy: -16.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -94.921991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.921991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.921991 (E_RNA)
where:
Base-Base interactions energy: -40.409
where: short stacking energy: -31.895
Base-Backbone interact. energy: -0.082
local terms energy: -54.431098
where:
bonds (distance) C4'-P energy: -10.790
bonds (distance) P-C4' energy: -15.478
flat angles C4'-P-C4' energy: -18.010
flat angles P-C4'-P energy: -6.293
tors. eta vs tors. theta energy: -3.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -93.282535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.282535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.282535 (E_RNA)
where:
Base-Base interactions energy: -47.111
where: short stacking energy: -33.331
Base-Backbone interact. energy: 2.041
local terms energy: -48.212015
where:
bonds (distance) C4'-P energy: -10.705
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -11.639
flat angles P-C4'-P energy: -4.735
tors. eta vs tors. theta energy: -5.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -87.743461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.743461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.743461 (E_RNA)
where:
Base-Base interactions energy: -44.027
where: short stacking energy: -23.353
Base-Backbone interact. energy: -0.639
local terms energy: -43.077153
where:
bonds (distance) C4'-P energy: -9.049
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -15.462
flat angles P-C4'-P energy: -8.277
tors. eta vs tors. theta energy: 2.542
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: 1
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -103.002503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.002503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.002503 (E_RNA)
where:
Base-Base interactions energy: -33.269
where: short stacking energy: -33.269
Base-Backbone interact. energy: -0.054
local terms energy: -69.679525
where:
bonds (distance) C4'-P energy: -15.855
bonds (distance) P-C4' energy: -19.078
flat angles C4'-P-C4' energy: -13.550
flat angles P-C4'-P energy: -11.633
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: 1, replica: 10
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -257.759547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.759547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.759547 (E_RNA)
where:
Base-Base interactions energy: -167.327
where: short stacking energy: -76.978
Base-Backbone interact. energy: -0.043
local terms energy: -90.389591
where:
bonds (distance) C4'-P energy: -18.375
bonds (distance) P-C4' energy: -19.735
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -15.214
tors. eta vs tors. theta energy: -21.942
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: 6
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -252.457246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.457246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.457246 (E_RNA)
where:
Base-Base interactions energy: -167.055
where: short stacking energy: -70.915
Base-Backbone interact. energy: -0.076
local terms energy: -85.326111
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -18.100
flat angles C4'-P-C4' energy: -17.763
flat angles P-C4'-P energy: -14.624
tors. eta vs tors. theta energy: -20.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -257.164016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.164016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.164016 (E_RNA)
where:
Base-Base interactions energy: -168.831
where: short stacking energy: -85.491
Base-Backbone interact. energy: -0.007
local terms energy: -88.326261
where:
bonds (distance) C4'-P energy: -16.778
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -19.932
flat angles P-C4'-P energy: -12.406
tors. eta vs tors. theta energy: -25.921
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: 270
Temperature: 1.050000
Total energy: -241.685591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.685591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.685591 (E_RNA)
where:
Base-Base interactions energy: -159.065
where: short stacking energy: -78.933
Base-Backbone interact. energy: -0.080
local terms energy: -82.541003
where:
bonds (distance) C4'-P energy: -18.491
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -24.063
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: 5
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -227.115767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.115767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.115767 (E_RNA)
where:
Base-Base interactions energy: -153.319
where: short stacking energy: -73.294
Base-Backbone interact. energy: -0.176
local terms energy: -73.620641
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -17.736
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: -18.902
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: 6, replica: 4
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -215.818882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.818882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.818882 (E_RNA)
where:
Base-Base interactions energy: -132.892
where: short stacking energy: -61.058
Base-Backbone interact. energy: -0.261
local terms energy: -82.666847
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -16.015
flat angles C4'-P-C4' energy: -15.858
flat angles P-C4'-P energy: -13.253
tors. eta vs tors. theta energy: -21.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -102.546347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.546347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.546347 (E_RNA)
where:
Base-Base interactions energy: -44.025
where: short stacking energy: -34.094
Base-Backbone interact. energy: -0.525
local terms energy: -57.996377
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -14.888
flat angles P-C4'-P energy: -7.427
tors. eta vs tors. theta energy: -0.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -87.346938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.346938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.346938 (E_RNA)
where:
Base-Base interactions energy: -35.141
where: short stacking energy: -35.141
Base-Backbone interact. energy: -0.398
local terms energy: -51.808010
where:
bonds (distance) C4'-P energy: -8.700
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -10.598
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -4.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -102.118404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.118404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.118404 (E_RNA)
where:
Base-Base interactions energy: -54.645
where: short stacking energy: -27.089
Base-Backbone interact. energy: 0.059
local terms energy: -47.531695
where:
bonds (distance) C4'-P energy: -9.593
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -11.587
flat angles P-C4'-P energy: -12.551
tors. eta vs tors. theta energy: 1.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -88.229741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.229741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.229741 (E_RNA)
where:
Base-Base interactions energy: -40.464
where: short stacking energy: -34.047
Base-Backbone interact. energy: -0.301
local terms energy: -47.464981
where:
bonds (distance) C4'-P energy: -11.444
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -7.108
tors. eta vs tors. theta energy: -2.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -265.833879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.833879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.833879 (E_RNA)
where:
Base-Base interactions energy: -171.348
where: short stacking energy: -82.713
Base-Backbone interact. energy: -0.670
local terms energy: -93.815219
where:
bonds (distance) C4'-P energy: -16.546
bonds (distance) P-C4' energy: -19.086
flat angles C4'-P-C4' energy: -19.197
flat angles P-C4'-P energy: -14.099
tors. eta vs tors. theta energy: -24.888
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: 271
Temperature: 0.950000
Total energy: -256.808697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.808697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.808697 (E_RNA)
where:
Base-Base interactions energy: -170.958
where: short stacking energy: -83.389
Base-Backbone interact. energy: -0.002
local terms energy: -85.848038
where:
bonds (distance) C4'-P energy: -12.179
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -17.772
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -27.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -253.306661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.306661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.306661 (E_RNA)
where:
Base-Base interactions energy: -164.526
where: short stacking energy: -76.492
Base-Backbone interact. energy: -0.000
local terms energy: -88.779870
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -17.901
flat angles C4'-P-C4' energy: -19.205
flat angles P-C4'-P energy: -13.171
tors. eta vs tors. theta energy: -23.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -245.130350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.130350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.130350 (E_RNA)
where:
Base-Base interactions energy: -155.362
where: short stacking energy: -72.953
Base-Backbone interact. energy: -0.045
local terms energy: -89.723455
where:
bonds (distance) C4'-P energy: -15.819
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -19.673
flat angles P-C4'-P energy: -13.718
tors. eta vs tors. theta energy: -25.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -231.918856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.918856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.918856 (E_RNA)
where:
Base-Base interactions energy: -152.005
where: short stacking energy: -60.640
Base-Backbone interact. energy: -0.002
local terms energy: -79.912381
where:
bonds (distance) C4'-P energy: -16.906
bonds (distance) P-C4' energy: -18.123
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -7.698
tors. eta vs tors. theta energy: -22.503
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: 4
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -203.449382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.449382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.449382 (E_RNA)
where:
Base-Base interactions energy: -127.432
where: short stacking energy: -62.512
Base-Backbone interact. energy: -1.551
local terms energy: -74.466811
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -13.079
tors. eta vs tors. theta energy: -16.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -101.982949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.982949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.982949 (E_RNA)
where:
Base-Base interactions energy: -50.091
where: short stacking energy: -36.081
Base-Backbone interact. energy: -0.300
local terms energy: -51.591912
where:
bonds (distance) C4'-P energy: -11.845
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -6.233
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: 8, replica: 1
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -100.640863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.640863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.640863 (E_RNA)
where:
Base-Base interactions energy: -31.746
where: short stacking energy: -28.201
Base-Backbone interact. energy: -0.085
local terms energy: -68.809596
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -20.060
flat angles C4'-P-C4' energy: -17.173
flat angles P-C4'-P energy: -7.957
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: 9, replica: 8
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -86.682245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.682245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.682245 (E_RNA)
where:
Base-Base interactions energy: -21.889
where: short stacking energy: -21.889
Base-Backbone interact. energy: -0.127
local terms energy: -64.665364
where:
bonds (distance) C4'-P energy: -15.935
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -16.412
flat angles P-C4'-P energy: -12.768
tors. eta vs tors. theta energy: -3.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -78.198127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.198127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.198127 (E_RNA)
where:
Base-Base interactions energy: -23.332
where: short stacking energy: -16.855
Base-Backbone interact. energy: 1.593
local terms energy: -56.459825
where:
bonds (distance) C4'-P energy: -17.320
bonds (distance) P-C4' energy: -17.972
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: 1.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -252.989599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.989599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.989599 (E_RNA)
where:
Base-Base interactions energy: -170.197
where: short stacking energy: -83.198
Base-Backbone interact. energy: -0.099
local terms energy: -82.694110
where:
bonds (distance) C4'-P energy: -17.424
bonds (distance) P-C4' energy: -17.582
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -23.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -254.493584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.493584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.493584 (E_RNA)
where:
Base-Base interactions energy: -170.981
where: short stacking energy: -77.132
Base-Backbone interact. energy: -0.003
local terms energy: -83.510513
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -26.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -254.503497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.503497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.503497 (E_RNA)
where:
Base-Base interactions energy: -164.488
where: short stacking energy: -72.771
Base-Backbone interact. energy: -0.061
local terms energy: -89.954628
where:
bonds (distance) C4'-P energy: -18.190
bonds (distance) P-C4' energy: -19.908
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -13.820
tors. eta vs tors. theta energy: -22.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -239.456416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.456416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.456416 (E_RNA)
where:
Base-Base interactions energy: -152.623
where: short stacking energy: -65.336
Base-Backbone interact. energy: -0.483
local terms energy: -86.350018
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -19.160
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -12.805
tors. eta vs tors. theta energy: -21.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -239.770263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.770263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.770263 (E_RNA)
where:
Base-Base interactions energy: -155.755
where: short stacking energy: -74.946
Base-Backbone interact. energy: 0.642
local terms energy: -84.656949
where:
bonds (distance) C4'-P energy: -16.685
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -20.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -206.418991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.418991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.418991 (E_RNA)
where:
Base-Base interactions energy: -127.160
where: short stacking energy: -53.537
Base-Backbone interact. energy: -0.103
local terms energy: -79.156459
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -18.306
flat angles C4'-P-C4' energy: -17.104
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -15.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -96.397712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.397712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.397712 (E_RNA)
where:
Base-Base interactions energy: -38.317
where: short stacking energy: -33.333
Base-Backbone interact. energy: 1.332
local terms energy: -59.412463
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -10.176
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -7.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -86.000747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.000747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.000747 (E_RNA)
where:
Base-Base interactions energy: -29.880
where: short stacking energy: -26.881
Base-Backbone interact. energy: -0.347
local terms energy: -55.773709
where:
bonds (distance) C4'-P energy: -14.046
bonds (distance) P-C4' energy: -20.912
flat angles C4'-P-C4' energy: -8.110
flat angles P-C4'-P energy: -8.608
tors. eta vs tors. theta energy: -4.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -82.059769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.059769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.059769 (E_RNA)
where:
Base-Base interactions energy: -32.294
where: short stacking energy: -28.641
Base-Backbone interact. energy: -0.812
local terms energy: -48.953796
where:
bonds (distance) C4'-P energy: -17.949
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -11.296
flat angles P-C4'-P energy: -6.675
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: 10, replica: 8
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -79.893750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.893750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.893750 (E_RNA)
where:
Base-Base interactions energy: -21.855
where: short stacking energy: -21.855
Base-Backbone interact. energy: -0.289
local terms energy: -57.750348
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -15.136
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -3.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -263.755447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.755447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.755447 (E_RNA)
where:
Base-Base interactions energy: -178.105
where: short stacking energy: -82.136
Base-Backbone interact. energy: -0.005
local terms energy: -85.645228
where:
bonds (distance) C4'-P energy: -15.536
bonds (distance) P-C4' energy: -16.958
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -13.270
tors. eta vs tors. theta energy: -25.829
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: 10
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -262.768544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.768544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.768544 (E_RNA)
where:
Base-Base interactions energy: -171.180
where: short stacking energy: -85.922
Base-Backbone interact. energy: -0.080
local terms energy: -91.508246
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -20.324
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -27.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -239.477517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.477517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.477517 (E_RNA)
where:
Base-Base interactions energy: -157.566
where: short stacking energy: -68.606
Base-Backbone interact. energy: -0.249
local terms energy: -81.662792
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -19.299
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -21.921
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: 5
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -255.414501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.414501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.414501 (E_RNA)
where:
Base-Base interactions energy: -172.608
where: short stacking energy: -78.777
Base-Backbone interact. energy: -0.100
local terms energy: -82.706594
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -12.492
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -25.404
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: 6
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -242.737697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.737697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.737697 (E_RNA)
where:
Base-Base interactions energy: -164.032
where: short stacking energy: -75.214
Base-Backbone interact. energy: -0.080
local terms energy: -78.625168
where:
bonds (distance) C4'-P energy: -15.934
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -17.859
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: -23.364
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: 4
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -202.900557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.900557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.900557 (E_RNA)
where:
Base-Base interactions energy: -130.916
where: short stacking energy: -52.283
Base-Backbone interact. energy: -0.485
local terms energy: -71.500126
where:
bonds (distance) C4'-P energy: -19.310
bonds (distance) P-C4' energy: -15.633
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -3.206
tors. eta vs tors. theta energy: -19.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -131.826740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.826740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.826740 (E_RNA)
where:
Base-Base interactions energy: -57.769
where: short stacking energy: -57.769
Base-Backbone interact. energy: -0.054
local terms energy: -74.004202
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -18.038
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -11.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -102.462975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.462975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.462975 (E_RNA)
where:
Base-Base interactions energy: -40.964
where: short stacking energy: -38.781
Base-Backbone interact. energy: 1.039
local terms energy: -62.537363
where:
bonds (distance) C4'-P energy: -10.825
bonds (distance) P-C4' energy: -18.300
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -7.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -82.569378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.569378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.569378 (E_RNA)
where:
Base-Base interactions energy: -29.984
where: short stacking energy: -29.984
Base-Backbone interact. energy: -0.122
local terms energy: -52.463125
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -15.982
flat angles C4'-P-C4' energy: -10.815
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -0.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -80.389094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.389094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.389094 (E_RNA)
where:
Base-Base interactions energy: -26.516
where: short stacking energy: -24.194
Base-Backbone interact. energy: -0.519
local terms energy: -53.353808
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -17.661
flat angles C4'-P-C4' energy: -9.813
flat angles P-C4'-P energy: -3.184
tors. eta vs tors. theta energy: -6.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -263.266986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.266986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.266986 (E_RNA)
where:
Base-Base interactions energy: -174.312
where: short stacking energy: -82.159
Base-Backbone interact. energy: -0.033
local terms energy: -88.921260
where:
bonds (distance) C4'-P energy: -18.152
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -17.947
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -25.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -250.874047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.874047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.874047 (E_RNA)
where:
Base-Base interactions energy: -165.430
where: short stacking energy: -81.630
Base-Backbone interact. energy: -0.096
local terms energy: -85.348243
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -16.814
flat angles C4'-P-C4' energy: -19.418
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -24.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -250.480526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.480526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.480526 (E_RNA)
where:
Base-Base interactions energy: -163.557
where: short stacking energy: -80.172
Base-Backbone interact. energy: 0.020
local terms energy: -86.943195
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -18.350
flat angles P-C4'-P energy: -12.804
tors. eta vs tors. theta energy: -26.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -239.875131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.875131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.875131 (E_RNA)
where:
Base-Base interactions energy: -153.413
where: short stacking energy: -74.617
Base-Backbone interact. energy: -0.298
local terms energy: -86.164187
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -12.809
flat angles C4'-P-C4' energy: -20.660
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -23.697
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: 6
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -239.707820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.707820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.707820 (E_RNA)
where:
Base-Base interactions energy: -156.612
where: short stacking energy: -70.934
Base-Backbone interact. energy: -0.137
local terms energy: -82.958930
where:
bonds (distance) C4'-P energy: -17.112
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -15.726
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -23.258
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: 6, replica: 4
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -202.568960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.568960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.568960 (E_RNA)
where:
Base-Base interactions energy: -127.436
where: short stacking energy: -56.517
Base-Backbone interact. energy: -0.080
local terms energy: -75.053628
where:
bonds (distance) C4'-P energy: -11.591
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -19.283
flat angles P-C4'-P energy: -15.144
tors. eta vs tors. theta energy: -13.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -109.018032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.018032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.018032 (E_RNA)
where:
Base-Base interactions energy: -41.822
where: short stacking energy: -41.822
Base-Backbone interact. energy: -0.264
local terms energy: -66.931800
where:
bonds (distance) C4'-P energy: -15.502
bonds (distance) P-C4' energy: -18.068
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -13.125
tors. eta vs tors. theta energy: -4.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -99.423635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.423635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.423635 (E_RNA)
where:
Base-Base interactions energy: -39.541
where: short stacking energy: -38.955
Base-Backbone interact. energy: -0.204
local terms energy: -59.678726
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -6.628
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -8.457
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: 9, replica: 1
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -80.965293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.965293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.965293 (E_RNA)
where:
Base-Base interactions energy: -38.023
where: short stacking energy: -25.611
Base-Backbone interact. energy: -0.525
local terms energy: -42.417124
where:
bonds (distance) C4'-P energy: -6.987
bonds (distance) P-C4' energy: -16.997
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -2.752
tors. eta vs tors. theta energy: -3.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -84.850500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.850500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.850500 (E_RNA)
where:
Base-Base interactions energy: -34.234
where: short stacking energy: -34.234
Base-Backbone interact. energy: -0.025
local terms energy: -50.591676
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -12.104
flat angles C4'-P-C4' energy: -12.116
flat angles P-C4'-P energy: -5.026
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: 10
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -256.900672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.900672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.900672 (E_RNA)
where:
Base-Base interactions energy: -174.032
where: short stacking energy: -80.255
Base-Backbone interact. energy: -0.091
local terms energy: -82.777256
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -13.678
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -26.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -258.702480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.702480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.702480 (E_RNA)
where:
Base-Base interactions energy: -171.542
where: short stacking energy: -82.308
Base-Backbone interact. energy: -0.214
local terms energy: -86.946673
where:
bonds (distance) C4'-P energy: -15.293
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -19.748
flat angles P-C4'-P energy: -13.339
tors. eta vs tors. theta energy: -25.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -255.727487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.727487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.727487 (E_RNA)
where:
Base-Base interactions energy: -170.915
where: short stacking energy: -78.479
Base-Backbone interact. energy: -0.069
local terms energy: -84.743572
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -19.659
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -26.217
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: 6
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -233.435285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.435285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.435285 (E_RNA)
where:
Base-Base interactions energy: -154.274
where: short stacking energy: -71.778
Base-Backbone interact. energy: -0.100
local terms energy: -79.061816
where:
bonds (distance) C4'-P energy: -10.427
bonds (distance) P-C4' energy: -12.119
flat angles C4'-P-C4' energy: -18.503
flat angles P-C4'-P energy: -16.278
tors. eta vs tors. theta energy: -21.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -227.405459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.405459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.405459 (E_RNA)
where:
Base-Base interactions energy: -144.277
where: short stacking energy: -77.993
Base-Backbone interact. energy: -0.010
local terms energy: -83.119016
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -17.108
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -23.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -212.950115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.950115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.950115 (E_RNA)
where:
Base-Base interactions energy: -136.785
where: short stacking energy: -57.379
Base-Backbone interact. energy: -0.082
local terms energy: -76.082976
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -13.646
tors. eta vs tors. theta energy: -16.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -107.333391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.333391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.333391 (E_RNA)
where:
Base-Base interactions energy: -40.608
where: short stacking energy: -38.473
Base-Backbone interact. energy: -0.186
local terms energy: -66.539229
where:
bonds (distance) C4'-P energy: -16.820
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -10.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -100.044387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.044387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.044387 (E_RNA)
where:
Base-Base interactions energy: -42.334
where: short stacking energy: -32.827
Base-Backbone interact. energy: -0.164
local terms energy: -57.546916
where:
bonds (distance) C4'-P energy: -8.721
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -12.206
flat angles P-C4'-P energy: -15.868
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: 9, replica: 1
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -88.285452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.285452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.285452 (E_RNA)
where:
Base-Base interactions energy: -28.057
where: short stacking energy: -20.314
Base-Backbone interact. energy: 0.822
local terms energy: -61.050364
where:
bonds (distance) C4'-P energy: -12.354
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -17.357
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: -5.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -74.283270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.283270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.283270 (E_RNA)
where:
Base-Base interactions energy: -18.418
where: short stacking energy: -16.483
Base-Backbone interact. energy: 0.182
local terms energy: -56.047037
where:
bonds (distance) C4'-P energy: -17.691
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -5.809
tors. eta vs tors. theta energy: 1.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -262.621089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.621089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.621089 (E_RNA)
where:
Base-Base interactions energy: -178.027
where: short stacking energy: -85.172
Base-Backbone interact. energy: -0.134
local terms energy: -84.460145
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -23.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -260.346704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.346704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.346704 (E_RNA)
where:
Base-Base interactions energy: -167.603
where: short stacking energy: -78.232
Base-Backbone interact. energy: -0.030
local terms energy: -92.713515
where:
bonds (distance) C4'-P energy: -17.097
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -19.280
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: -26.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -248.702262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.702262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.702262 (E_RNA)
where:
Base-Base interactions energy: -162.275
where: short stacking energy: -77.566
Base-Backbone interact. energy: -0.085
local terms energy: -86.341807
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -16.398
flat angles C4'-P-C4' energy: -16.935
flat angles P-C4'-P energy: -12.579
tors. eta vs tors. theta energy: -24.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -231.566454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.566454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.566454 (E_RNA)
where:
Base-Base interactions energy: -145.374
where: short stacking energy: -70.838
Base-Backbone interact. energy: -0.036
local terms energy: -86.156154
where:
bonds (distance) C4'-P energy: -17.726
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -18.159
flat angles P-C4'-P energy: -14.404
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: 4
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -221.385306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.385306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.385306 (E_RNA)
where:
Base-Base interactions energy: -149.233
where: short stacking energy: -73.939
Base-Backbone interact. energy: -0.205
local terms energy: -71.946753
where:
bonds (distance) C4'-P energy: -7.507
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: -24.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -220.237032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.237032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.237032 (E_RNA)
where:
Base-Base interactions energy: -140.439
where: short stacking energy: -61.890
Base-Backbone interact. energy: -0.103
local terms energy: -79.694814
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -13.253
tors. eta vs tors. theta energy: -19.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -99.775000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.775000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.775000 (E_RNA)
where:
Base-Base interactions energy: -38.499
where: short stacking energy: -35.526
Base-Backbone interact. energy: 1.321
local terms energy: -62.596481
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -16.962
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -6.758
tors. eta vs tors. theta energy: -7.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -87.622567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.622567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.622567 (E_RNA)
where:
Base-Base interactions energy: -34.012
where: short stacking energy: -30.623
Base-Backbone interact. energy: -0.125
local terms energy: -53.486158
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -9.698
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -4.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -85.923013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.923013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.923013 (E_RNA)
where:
Base-Base interactions energy: -22.344
where: short stacking energy: -22.921
Base-Backbone interact. energy: -1.195
local terms energy: -62.384262
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -10.793
flat angles P-C4'-P energy: -13.925
tors. eta vs tors. theta energy: -5.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -98.614716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.614716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.614716 (E_RNA)
where:
Base-Base interactions energy: -35.537
where: short stacking energy: -33.709
Base-Backbone interact. energy: -0.183
local terms energy: -62.895289
where:
bonds (distance) C4'-P energy: -12.184
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -12.325
tors. eta vs tors. theta energy: -8.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -257.960979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.960979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.960979 (E_RNA)
where:
Base-Base interactions energy: -168.322
where: short stacking energy: -75.148
Base-Backbone interact. energy: -0.104
local terms energy: -89.535184
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -18.259
flat angles C4'-P-C4' energy: -18.208
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -24.981
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: 277
Temperature: 0.950000
Total energy: -258.319097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.319097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.319097 (E_RNA)
where:
Base-Base interactions energy: -174.366
where: short stacking energy: -79.748
Base-Backbone interact. energy: -0.076
local terms energy: -83.877724
where:
bonds (distance) C4'-P energy: -18.132
bonds (distance) P-C4' energy: -18.194
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -24.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -241.775500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.775500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.775500 (E_RNA)
where:
Base-Base interactions energy: -158.736
where: short stacking energy: -75.787
Base-Backbone interact. energy: -0.098
local terms energy: -82.941742
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -19.256
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -12.645
tors. eta vs tors. theta energy: -20.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -225.457875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.457875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.457875 (E_RNA)
where:
Base-Base interactions energy: -152.120
where: short stacking energy: -64.461
Base-Backbone interact. energy: -0.169
local terms energy: -73.169252
where:
bonds (distance) C4'-P energy: -10.983
bonds (distance) P-C4' energy: -17.871
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -12.459
tors. eta vs tors. theta energy: -16.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -206.581852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.581852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.581852 (E_RNA)
where:
Base-Base interactions energy: -130.827
where: short stacking energy: -57.394
Base-Backbone interact. energy: -0.104
local terms energy: -75.650970
where:
bonds (distance) C4'-P energy: -14.882
bonds (distance) P-C4' energy: -17.065
flat angles C4'-P-C4' energy: -19.403
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -12.543
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: 6, replica: 9
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -224.778790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.778790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.778790 (E_RNA)
where:
Base-Base interactions energy: -152.185
where: short stacking energy: -64.849
Base-Backbone interact. energy: -0.118
local terms energy: -72.475681
where:
bonds (distance) C4'-P energy: -10.468
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -6.491
tors. eta vs tors. theta energy: -23.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -113.809487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.809487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.809487 (E_RNA)
where:
Base-Base interactions energy: -64.451
where: short stacking energy: -46.235
Base-Backbone interact. energy: -0.381
local terms energy: -48.977156
where:
bonds (distance) C4'-P energy: -3.991
bonds (distance) P-C4' energy: -11.710
flat angles C4'-P-C4' energy: -17.707
flat angles P-C4'-P energy: -12.694
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: 8, replica: 8
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -100.762087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.762087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.762087 (E_RNA)
where:
Base-Base interactions energy: -53.286
where: short stacking energy: -39.647
Base-Backbone interact. energy: -0.156
local terms energy: -47.320555
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -13.509
flat angles C4'-P-C4' energy: -7.731
flat angles P-C4'-P energy: -5.562
tors. eta vs tors. theta energy: -7.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -77.700479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.700479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.700479 (E_RNA)
where:
Base-Base interactions energy: -23.725
where: short stacking energy: -17.088
Base-Backbone interact. energy: -0.342
local terms energy: -53.633363
where:
bonds (distance) C4'-P energy: -17.151
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -8.891
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -1.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -87.181704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.181704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.181704 (E_RNA)
where:
Base-Base interactions energy: -35.805
where: short stacking energy: -33.337
Base-Backbone interact. energy: -1.610
local terms energy: -49.766454
where:
bonds (distance) C4'-P energy: -9.259
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -18.683
flat angles P-C4'-P energy: -4.764
tors. eta vs tors. theta energy: -2.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -265.509250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.509250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.509250 (E_RNA)
where:
Base-Base interactions energy: -174.831
where: short stacking energy: -86.829
Base-Backbone interact. energy: -1.658
local terms energy: -89.020543
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -15.021
flat angles C4'-P-C4' energy: -18.804
flat angles P-C4'-P energy: -12.330
tors. eta vs tors. theta energy: -27.041
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: 5
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -252.658137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.658137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.658137 (E_RNA)
where:
Base-Base interactions energy: -166.257
where: short stacking energy: -84.677
Base-Backbone interact. energy: -0.042
local terms energy: -86.359560
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -19.224
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -13.103
tors. eta vs tors. theta energy: -24.252
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: 10
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -249.706773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.706773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.706773 (E_RNA)
where:
Base-Base interactions energy: -169.927
where: short stacking energy: -78.876
Base-Backbone interact. energy: -0.352
local terms energy: -79.427920
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -19.219
flat angles P-C4'-P energy: -7.765
tors. eta vs tors. theta energy: -26.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -235.581824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.581824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.581824 (E_RNA)
where:
Base-Base interactions energy: -155.421
where: short stacking energy: -66.866
Base-Backbone interact. energy: -0.373
local terms energy: -79.787215
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -17.845
flat angles C4'-P-C4' energy: -19.504
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -20.412
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: 278
Temperature: 1.100000
Total energy: -242.522068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.522068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.522068 (E_RNA)
where:
Base-Base interactions energy: -156.583
where: short stacking energy: -72.186
Base-Backbone interact. energy: -0.146
local terms energy: -85.792951
where:
bonds (distance) C4'-P energy: -17.497
bonds (distance) P-C4' energy: -14.288
flat angles C4'-P-C4' energy: -16.672
flat angles P-C4'-P energy: -14.375
tors. eta vs tors. theta energy: -22.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -226.988921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.988921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.988921 (E_RNA)
where:
Base-Base interactions energy: -145.690
where: short stacking energy: -66.735
Base-Backbone interact. energy: -0.152
local terms energy: -81.147501
where:
bonds (distance) C4'-P energy: -18.855
bonds (distance) P-C4' energy: -13.985
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: -21.132
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: 8
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -86.545948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.545948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.545948 (E_RNA)
where:
Base-Base interactions energy: -30.654
where: short stacking energy: -21.784
Base-Backbone interact. energy: -0.306
local terms energy: -55.585468
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -11.592
flat angles P-C4'-P energy: -6.411
tors. eta vs tors. theta energy: -6.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -105.455495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.455495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.455495 (E_RNA)
where:
Base-Base interactions energy: -42.792
where: short stacking energy: -42.762
Base-Backbone interact. energy: -0.071
local terms energy: -62.592283
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -9.147
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: 9, replica: 1
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -84.471524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.471524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.471524 (E_RNA)
where:
Base-Base interactions energy: -27.876
where: short stacking energy: -27.316
Base-Backbone interact. energy: -0.061
local terms energy: -56.534284
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -18.007
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: -1.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -87.732499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.732499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.732499 (E_RNA)
where:
Base-Base interactions energy: -33.448
where: short stacking energy: -30.442
Base-Backbone interact. energy: -0.177
local terms energy: -54.107680
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -10.691
flat angles P-C4'-P energy: -7.070
tors. eta vs tors. theta energy: -3.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -245.315885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.315885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.315885 (E_RNA)
where:
Base-Base interactions energy: -153.541
where: short stacking energy: -65.436
Base-Backbone interact. energy: -0.188
local terms energy: -91.586765
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -21.877
flat angles P-C4'-P energy: -14.954
tors. eta vs tors. theta energy: -22.986
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: 10
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -251.439826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.439826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.439826 (E_RNA)
where:
Base-Base interactions energy: -160.587
where: short stacking energy: -76.690
Base-Backbone interact. energy: -0.018
local terms energy: -90.834489
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -18.749
flat angles C4'-P-C4' energy: -17.631
flat angles P-C4'-P energy: -16.008
tors. eta vs tors. theta energy: -23.345
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: 3, replica: 5
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -253.548576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.548576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.548576 (E_RNA)
where:
Base-Base interactions energy: -170.361
where: short stacking energy: -79.259
Base-Backbone interact. energy: -0.647
local terms energy: -82.541102
where:
bonds (distance) C4'-P energy: -13.475
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -23.735
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: 4
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -244.362021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.362021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.362021 (E_RNA)
where:
Base-Base interactions energy: -154.989
where: short stacking energy: -63.706
Base-Backbone interact. energy: -0.158
local terms energy: -89.214618
where:
bonds (distance) C4'-P energy: -18.728
bonds (distance) P-C4' energy: -20.652
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -16.032
tors. eta vs tors. theta energy: -18.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -232.070184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.070184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.070184 (E_RNA)
where:
Base-Base interactions energy: -151.502
where: short stacking energy: -78.909
Base-Backbone interact. energy: -0.055
local terms energy: -80.513605
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -17.898
flat angles P-C4'-P energy: -7.436
tors. eta vs tors. theta energy: -23.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -247.618325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.618325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.618325 (E_RNA)
where:
Base-Base interactions energy: -156.309
where: short stacking energy: -77.955
Base-Backbone interact. energy: -0.589
local terms energy: -90.720143
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -20.969
flat angles P-C4'-P energy: -14.888
tors. eta vs tors. theta energy: -24.168
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: 8
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -109.041464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.041464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.041464 (E_RNA)
where:
Base-Base interactions energy: -49.128
where: short stacking energy: -35.496
Base-Backbone interact. energy: -0.166
local terms energy: -59.747406
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -4.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -111.077627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.077627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.077627 (E_RNA)
where:
Base-Base interactions energy: -46.073
where: short stacking energy: -45.657
Base-Backbone interact. energy: -0.115
local terms energy: -64.889625
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -20.667
flat angles P-C4'-P energy: -8.863
tors. eta vs tors. theta energy: -10.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -90.747107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.747107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.747107 (E_RNA)
where:
Base-Base interactions energy: -41.666
where: short stacking energy: -30.017
Base-Backbone interact. energy: -1.349
local terms energy: -47.731972
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -9.324
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: 1.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -87.502546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.502546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.502546 (E_RNA)
where:
Base-Base interactions energy: -40.926
where: short stacking energy: -20.980
Base-Backbone interact. energy: -0.208
local terms energy: -46.368322
where:
bonds (distance) C4'-P energy: -10.078
bonds (distance) P-C4' energy: -14.773
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -3.618
tors. eta vs tors. theta energy: -4.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -252.952386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.952386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.952386 (E_RNA)
where:
Base-Base interactions energy: -171.415
where: short stacking energy: -82.916
Base-Backbone interact. energy: -0.106
local terms energy: -81.431031
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -16.233
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -12.244
tors. eta vs tors. theta energy: -24.999
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: 2
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -252.922216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.922216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.922216 (E_RNA)
where:
Base-Base interactions energy: -167.860
where: short stacking energy: -75.468
Base-Backbone interact. energy: 0.582
local terms energy: -85.644808
where:
bonds (distance) C4'-P energy: -16.480
bonds (distance) P-C4' energy: -18.623
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: -26.153
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: 3, replica: 5
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -253.713034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.713034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.713034 (E_RNA)
where:
Base-Base interactions energy: -160.865
where: short stacking energy: -75.987
Base-Backbone interact. energy: -0.121
local terms energy: -92.726666
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -19.432
flat angles C4'-P-C4' energy: -19.317
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: -27.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -235.918022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.918022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.918022 (E_RNA)
where:
Base-Base interactions energy: -155.437
where: short stacking energy: -64.062
Base-Backbone interact. energy: 0.564
local terms energy: -81.044801
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -18.006
flat angles C4'-P-C4' energy: -18.249
flat angles P-C4'-P energy: -13.501
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: 5, replica: 6
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -245.506603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.506603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.506603 (E_RNA)
where:
Base-Base interactions energy: -155.057
where: short stacking energy: -72.205
Base-Backbone interact. energy: -0.100
local terms energy: -90.349407
where:
bonds (distance) C4'-P energy: -17.708
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -21.023
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -25.065
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: 9
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -218.525443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.525443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.525443 (E_RNA)
where:
Base-Base interactions energy: -145.099
where: short stacking energy: -72.938
Base-Backbone interact. energy: -0.019
local terms energy: -73.407347
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -7.822
tors. eta vs tors. theta energy: -22.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -110.020708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.020708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.020708 (E_RNA)
where:
Base-Base interactions energy: -50.290
where: short stacking energy: -45.906
Base-Backbone interact. energy: -0.046
local terms energy: -59.684479
where:
bonds (distance) C4'-P energy: -12.777
bonds (distance) P-C4' energy: -11.486
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -7.730
tors. eta vs tors. theta energy: -12.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -95.117441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.117441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.117441 (E_RNA)
where:
Base-Base interactions energy: -45.670
where: short stacking energy: -42.430
Base-Backbone interact. energy: -0.082
local terms energy: -49.365416
where:
bonds (distance) C4'-P energy: -11.247
bonds (distance) P-C4' energy: -13.014
flat angles C4'-P-C4' energy: -11.771
flat angles P-C4'-P energy: -6.437
tors. eta vs tors. theta energy: -6.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -87.620749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.620749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.620749 (E_RNA)
where:
Base-Base interactions energy: -31.587
where: short stacking energy: -21.739
Base-Backbone interact. energy: -0.494
local terms energy: -55.539080
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -15.232
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: 1.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -78.034685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.034685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.034685 (E_RNA)
where:
Base-Base interactions energy: -23.658
where: short stacking energy: -23.658
Base-Backbone interact. energy: -0.261
local terms energy: -54.116218
where:
bonds (distance) C4'-P energy: -10.665
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -12.270
flat angles P-C4'-P energy: -8.791
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: 10
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -267.650930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.650930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.650930 (E_RNA)
where:
Base-Base interactions energy: -174.104
where: short stacking energy: -84.133
Base-Backbone interact. energy: -0.020
local terms energy: -93.526747
where:
bonds (distance) C4'-P energy: -18.722
bonds (distance) P-C4' energy: -15.994
flat angles C4'-P-C4' energy: -19.053
flat angles P-C4'-P energy: -13.421
tors. eta vs tors. theta energy: -26.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -257.882264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.882264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.882264 (E_RNA)
where:
Base-Base interactions energy: -163.804
where: short stacking energy: -77.151
Base-Backbone interact. energy: -0.006
local terms energy: -94.072725
where:
bonds (distance) C4'-P energy: -17.370
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -17.896
flat angles P-C4'-P energy: -14.671
tors. eta vs tors. theta energy: -25.095
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: 3, replica: 2
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -261.428031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.428031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.428031 (E_RNA)
where:
Base-Base interactions energy: -171.942
where: short stacking energy: -82.484
Base-Backbone interact. energy: -0.011
local terms energy: -89.474636
where:
bonds (distance) C4'-P energy: -16.747
bonds (distance) P-C4' energy: -17.795
flat angles C4'-P-C4' energy: -16.701
flat angles P-C4'-P energy: -13.326
tors. eta vs tors. theta energy: -24.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -257.512354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.512354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.512354 (E_RNA)
where:
Base-Base interactions energy: -165.390
where: short stacking energy: -80.580
Base-Backbone interact. energy: -0.091
local terms energy: -92.030971
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -17.198
flat angles C4'-P-C4' energy: -17.494
flat angles P-C4'-P energy: -14.004
tors. eta vs tors. theta energy: -27.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -231.405754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.405754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.405754 (E_RNA)
where:
Base-Base interactions energy: -146.970
where: short stacking energy: -70.170
Base-Backbone interact. energy: -0.033
local terms energy: -84.402793
where:
bonds (distance) C4'-P energy: -13.506
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -18.829
flat angles P-C4'-P energy: -14.310
tors. eta vs tors. theta energy: -24.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -211.982242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.982242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.982242 (E_RNA)
where:
Base-Base interactions energy: -132.389
where: short stacking energy: -57.999
Base-Backbone interact. energy: 0.239
local terms energy: -79.832061
where:
bonds (distance) C4'-P energy: -19.734
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -15.516
tors. eta vs tors. theta energy: -17.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -94.635913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.635913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.635913 (E_RNA)
where:
Base-Base interactions energy: -36.191
where: short stacking energy: -32.109
Base-Backbone interact. energy: -0.096
local terms energy: -58.349024
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -16.726
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -7.337
tors. eta vs tors. theta energy: -5.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -91.403239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.403239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.403239 (E_RNA)
where:
Base-Base interactions energy: -39.026
where: short stacking energy: -29.414
Base-Backbone interact. energy: -0.459
local terms energy: -51.918719
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -9.278
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -2.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -85.025924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.025924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.025924 (E_RNA)
where:
Base-Base interactions energy: -31.266
where: short stacking energy: -31.266
Base-Backbone interact. energy: -0.128
local terms energy: -53.632568
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -13.825
flat angles C4'-P-C4' energy: -17.791
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: 0.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -83.075001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.075001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.075001 (E_RNA)
where:
Base-Base interactions energy: -28.690
where: short stacking energy: -25.834
Base-Backbone interact. energy: -0.424
local terms energy: -53.961089
where:
bonds (distance) C4'-P energy: -17.188
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -12.719
flat angles P-C4'-P energy: -7.881
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: 1, replica: 10
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -265.528666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.528666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.528666 (E_RNA)
where:
Base-Base interactions energy: -171.972
where: short stacking energy: -81.533
Base-Backbone interact. energy: -0.296
local terms energy: -93.261046
where:
bonds (distance) C4'-P energy: -18.977
bonds (distance) P-C4' energy: -20.383
flat angles C4'-P-C4' energy: -19.437
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -25.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -261.342140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.342140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.342140 (E_RNA)
where:
Base-Base interactions energy: -169.778
where: short stacking energy: -85.081
Base-Backbone interact. energy: -0.004
local terms energy: -91.559864
where:
bonds (distance) C4'-P energy: -15.855
bonds (distance) P-C4' energy: -17.857
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -13.670
tors. eta vs tors. theta energy: -27.370
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: 6
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -237.820633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.820633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.820633 (E_RNA)
where:
Base-Base interactions energy: -145.840
where: short stacking energy: -67.229
Base-Backbone interact. energy: -0.010
local terms energy: -91.971269
where:
bonds (distance) C4'-P energy: -18.941
bonds (distance) P-C4' energy: -17.819
flat angles C4'-P-C4' energy: -18.006
flat angles P-C4'-P energy: -15.533
tors. eta vs tors. theta energy: -21.672
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: 2
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -244.424640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.424640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.424640 (E_RNA)
where:
Base-Base interactions energy: -167.638
where: short stacking energy: -74.106
Base-Backbone interact. energy: -0.101
local terms energy: -76.686323
where:
bonds (distance) C4'-P energy: -9.947
bonds (distance) P-C4' energy: -11.250
flat angles C4'-P-C4' energy: -19.363
flat angles P-C4'-P energy: -11.556
tors. eta vs tors. theta energy: -24.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -235.255210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.255210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.255210 (E_RNA)
where:
Base-Base interactions energy: -162.977
where: short stacking energy: -74.392
Base-Backbone interact. energy: -0.140
local terms energy: -72.138195
where:
bonds (distance) C4'-P energy: -10.132
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -11.653
tors. eta vs tors. theta energy: -21.802
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: 4
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -220.742676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.742676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.742676 (E_RNA)
where:
Base-Base interactions energy: -139.794
where: short stacking energy: -66.878
Base-Backbone interact. energy: -0.007
local terms energy: -80.941615
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -21.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -104.086988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.086988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.086988 (E_RNA)
where:
Base-Base interactions energy: -46.674
where: short stacking energy: -42.169
Base-Backbone interact. energy: -0.060
local terms energy: -57.352633
where:
bonds (distance) C4'-P energy: -12.341
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -6.361
tors. eta vs tors. theta energy: -10.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -96.857146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.857146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.857146 (E_RNA)
where:
Base-Base interactions energy: -39.070
where: short stacking energy: -31.058
Base-Backbone interact. energy: 0.353
local terms energy: -58.139911
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -14.718
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -7.256
tors. eta vs tors. theta energy: -7.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -100.894827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.894827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.894827 (E_RNA)
where:
Base-Base interactions energy: -50.281
where: short stacking energy: -31.447
Base-Backbone interact. energy: -0.198
local terms energy: -50.415807
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -11.692
flat angles C4'-P-C4' energy: -8.474
flat angles P-C4'-P energy: -7.705
tors. eta vs tors. theta energy: -8.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -109.318442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.318442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.318442 (E_RNA)
where:
Base-Base interactions energy: -57.904
where: short stacking energy: -31.655
Base-Backbone interact. energy: 1.636
local terms energy: -53.050638
where:
bonds (distance) C4'-P energy: -10.020
bonds (distance) P-C4' energy: -17.797
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -2.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -274.333218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.333218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.333218 (E_RNA)
where:
Base-Base interactions energy: -181.440
where: short stacking energy: -90.856
Base-Backbone interact. energy: -0.126
local terms energy: -92.766434
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -18.663
flat angles C4'-P-C4' energy: -20.585
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -28.191
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: 6
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -259.358115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.358115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.358115 (E_RNA)
where:
Base-Base interactions energy: -174.520
where: short stacking energy: -76.663
Base-Backbone interact. energy: -0.010
local terms energy: -84.828391
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -19.566
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -15.051
tors. eta vs tors. theta energy: -23.940
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: 5
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -251.708866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.708866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.708866 (E_RNA)
where:
Base-Base interactions energy: -164.152
where: short stacking energy: -75.817
Base-Backbone interact. energy: -0.090
local terms energy: -87.467041
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -16.769
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -15.108
tors. eta vs tors. theta energy: -25.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -248.850060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.850060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.850060 (E_RNA)
where:
Base-Base interactions energy: -159.891
where: short stacking energy: -74.304
Base-Backbone interact. energy: -0.088
local terms energy: -88.871176
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -19.439
flat angles C4'-P-C4' energy: -17.518
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -26.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -240.606399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.606399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.606399 (E_RNA)
where:
Base-Base interactions energy: -156.882
where: short stacking energy: -75.237
Base-Backbone interact. energy: -0.046
local terms energy: -83.678530
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -18.574
flat angles P-C4'-P energy: -12.994
tors. eta vs tors. theta energy: -21.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -220.458573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.458573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.458573 (E_RNA)
where:
Base-Base interactions energy: -137.079
where: short stacking energy: -59.811
Base-Backbone interact. energy: 0.622
local terms energy: -84.001951
where:
bonds (distance) C4'-P energy: -18.578
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -18.017
flat angles P-C4'-P energy: -13.321
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: 7, replica: 3
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -156.728237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.728237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.728237 (E_RNA)
where:
Base-Base interactions energy: -85.646
where: short stacking energy: -41.536
Base-Backbone interact. energy: -1.620
local terms energy: -69.461899
where:
bonds (distance) C4'-P energy: -19.804
bonds (distance) P-C4' energy: -13.059
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -12.610
tors. eta vs tors. theta energy: -7.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -99.604250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.604250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.604250 (E_RNA)
where:
Base-Base interactions energy: -32.277
where: short stacking energy: -32.277
Base-Backbone interact. energy: -1.008
local terms energy: -66.319311
where:
bonds (distance) C4'-P energy: -17.478
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -3.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -92.620276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.620276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.620276 (E_RNA)
where:
Base-Base interactions energy: -44.465
where: short stacking energy: -37.170
Base-Backbone interact. energy: -0.394
local terms energy: -47.761121
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -9.228
flat angles C4'-P-C4' energy: -9.109
flat angles P-C4'-P energy: -8.877
tors. eta vs tors. theta energy: -4.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -86.471092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.471092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.471092 (E_RNA)
where:
Base-Base interactions energy: -30.902
where: short stacking energy: -30.371
Base-Backbone interact. energy: -0.320
local terms energy: -55.249133
where:
bonds (distance) C4'-P energy: -18.275
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -11.839
flat angles P-C4'-P energy: -7.721
tors. eta vs tors. theta energy: -2.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -261.127578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.127578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.127578 (E_RNA)
where:
Base-Base interactions energy: -162.547
where: short stacking energy: -80.884
Base-Backbone interact. energy: -0.078
local terms energy: -98.502217
where:
bonds (distance) C4'-P energy: -17.872
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -20.436
flat angles P-C4'-P energy: -14.642
tors. eta vs tors. theta energy: -26.508
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: 10
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -256.165474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.165474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.165474 (E_RNA)
where:
Base-Base interactions energy: -161.025
where: short stacking energy: -72.741
Base-Backbone interact. energy: -0.001
local terms energy: -95.139017
where:
bonds (distance) C4'-P energy: -18.731
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -20.000
flat angles P-C4'-P energy: -14.468
tors. eta vs tors. theta energy: -24.590
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: 9
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -259.291593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.291593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.291593 (E_RNA)
where:
Base-Base interactions energy: -165.766
where: short stacking energy: -83.158
Base-Backbone interact. energy: -0.105
local terms energy: -93.420158
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -18.094
flat angles C4'-P-C4' energy: -19.347
flat angles P-C4'-P energy: -12.545
tors. eta vs tors. theta energy: -28.061
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: 5
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -246.316376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.316376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.316376 (E_RNA)
where:
Base-Base interactions energy: -163.356
where: short stacking energy: -70.548
Base-Backbone interact. energy: -0.003
local terms energy: -82.957056
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -16.003
flat angles C4'-P-C4' energy: -18.977
flat angles P-C4'-P energy: -14.159
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: 5, replica: 2
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -229.839181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.839181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.839181 (E_RNA)
where:
Base-Base interactions energy: -152.964
where: short stacking energy: -77.547
Base-Backbone interact. energy: 0.303
local terms energy: -77.178002
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -8.987
tors. eta vs tors. theta energy: -22.069
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: 4
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -225.236738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.236738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.236738 (E_RNA)
where:
Base-Base interactions energy: -145.657
where: short stacking energy: -65.434
Base-Backbone interact. energy: -0.077
local terms energy: -79.502813
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -16.133
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -6.831
tors. eta vs tors. theta energy: -24.404
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: 3
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -170.717271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.717271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.717271 (E_RNA)
where:
Base-Base interactions energy: -104.986
where: short stacking energy: -54.970
Base-Backbone interact. energy: 2.553
local terms energy: -68.284315
where:
bonds (distance) C4'-P energy: -10.629
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -19.574
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -12.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -88.196369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.196369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.196369 (E_RNA)
where:
Base-Base interactions energy: -31.198
where: short stacking energy: -31.198
Base-Backbone interact. energy: -0.048
local terms energy: -56.950379
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -10.547
flat angles P-C4'-P energy: -9.986
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: 1
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -89.621511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.621511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.621511 (E_RNA)
where:
Base-Base interactions energy: -41.575
where: short stacking energy: -29.826
Base-Backbone interact. energy: -0.116
local terms energy: -47.930376
where:
bonds (distance) C4'-P energy: -12.913
bonds (distance) P-C4' energy: -13.677
flat angles C4'-P-C4' energy: -11.143
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -1.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -74.618015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.618015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.618015 (E_RNA)
where:
Base-Base interactions energy: -21.775
where: short stacking energy: -21.775
Base-Backbone interact. energy: 2.823
local terms energy: -55.665914
where:
bonds (distance) C4'-P energy: -14.472
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -10.526
tors. eta vs tors. theta energy: 0.826
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: 285
Temperature: 0.900000
Total energy: -263.761758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.761758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.761758 (E_RNA)
where:
Base-Base interactions energy: -177.543
where: short stacking energy: -80.954
Base-Backbone interact. energy: -0.007
local terms energy: -86.211472
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -25.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -249.921045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.921045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.921045 (E_RNA)
where:
Base-Base interactions energy: -164.473
where: short stacking energy: -75.354
Base-Backbone interact. energy: 0.277
local terms energy: -85.724471
where:
bonds (distance) C4'-P energy: -15.318
bonds (distance) P-C4' energy: -17.794
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -14.413
tors. eta vs tors. theta energy: -23.345
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: 3, replica: 10
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -248.759293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.759293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.759293 (E_RNA)
where:
Base-Base interactions energy: -164.059
where: short stacking energy: -77.268
Base-Backbone interact. energy: -0.152
local terms energy: -84.547854
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -16.980
flat angles C4'-P-C4' energy: -18.885
flat angles P-C4'-P energy: -13.178
tors. eta vs tors. theta energy: -20.807
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: 2
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -237.705938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.705938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.705938 (E_RNA)
where:
Base-Base interactions energy: -157.823
where: short stacking energy: -71.635
Base-Backbone interact. energy: -0.131
local terms energy: -79.752117
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -22.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -234.949248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.949248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.949248 (E_RNA)
where:
Base-Base interactions energy: -154.450
where: short stacking energy: -71.801
Base-Backbone interact. energy: -0.006
local terms energy: -80.493283
where:
bonds (distance) C4'-P energy: -16.871
bonds (distance) P-C4' energy: -14.313
flat angles C4'-P-C4' energy: -17.931
flat angles P-C4'-P energy: -5.214
tors. eta vs tors. theta energy: -26.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -215.549723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.549723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.549723 (E_RNA)
where:
Base-Base interactions energy: -136.954
where: short stacking energy: -53.760
Base-Backbone interact. energy: -0.154
local terms energy: -78.441470
where:
bonds (distance) C4'-P energy: -17.689
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -15.228
tors. eta vs tors. theta energy: -14.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -155.697087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.697087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.697087 (E_RNA)
where:
Base-Base interactions energy: -92.029
where: short stacking energy: -54.315
Base-Backbone interact. energy: -0.034
local terms energy: -63.634323
where:
bonds (distance) C4'-P energy: -16.347
bonds (distance) P-C4' energy: -10.325
flat angles C4'-P-C4' energy: -17.473
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -9.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -100.625508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.625508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.625508 (E_RNA)
where:
Base-Base interactions energy: -43.599
where: short stacking energy: -35.851
Base-Backbone interact. energy: -0.303
local terms energy: -56.723512
where:
bonds (distance) C4'-P energy: -16.293
bonds (distance) P-C4' energy: -18.369
flat angles C4'-P-C4' energy: -7.929
flat angles P-C4'-P energy: -13.151
tors. eta vs tors. theta energy: -0.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -83.513520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.513520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.513520 (E_RNA)
where:
Base-Base interactions energy: -31.115
where: short stacking energy: -31.115
Base-Backbone interact. energy: -0.116
local terms energy: -52.282924
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -15.866
flat angles C4'-P-C4' energy: -13.030
flat angles P-C4'-P energy: -5.481
tors. eta vs tors. theta energy: -2.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -76.485140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.485140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.485140 (E_RNA)
where:
Base-Base interactions energy: -25.603
where: short stacking energy: -23.793
Base-Backbone interact. energy: -0.084
local terms energy: -50.798599
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -8.569
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: 1.770
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: 6
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -264.285043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.285043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.285043 (E_RNA)
where:
Base-Base interactions energy: -171.822
where: short stacking energy: -80.342
Base-Backbone interact. energy: -0.016
local terms energy: -92.446511
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -18.396
flat angles P-C4'-P energy: -14.260
tors. eta vs tors. theta energy: -26.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -256.123728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.123728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.123728 (E_RNA)
where:
Base-Base interactions energy: -168.564
where: short stacking energy: -84.100
Base-Backbone interact. energy: -0.587
local terms energy: -86.972847
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -18.277
flat angles P-C4'-P energy: -14.177
tors. eta vs tors. theta energy: -25.597
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: 10
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -265.494485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.494485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.494485 (E_RNA)
where:
Base-Base interactions energy: -170.191
where: short stacking energy: -88.067
Base-Backbone interact. energy: -0.022
local terms energy: -95.282069
where:
bonds (distance) C4'-P energy: -18.632
bonds (distance) P-C4' energy: -18.305
flat angles C4'-P-C4' energy: -18.428
flat angles P-C4'-P energy: -14.811
tors. eta vs tors. theta energy: -25.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -249.384355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.384355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.384355 (E_RNA)
where:
Base-Base interactions energy: -165.624
where: short stacking energy: -79.642
Base-Backbone interact. energy: 0.068
local terms energy: -83.828643
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -18.567
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -25.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -215.597232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.597232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.597232 (E_RNA)
where:
Base-Base interactions energy: -137.767
where: short stacking energy: -65.398
Base-Backbone interact. energy: -0.137
local terms energy: -77.693314
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -18.834
flat angles C4'-P-C4' energy: -18.698
flat angles P-C4'-P energy: -5.663
tors. eta vs tors. theta energy: -19.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -243.114092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.114092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.114092 (E_RNA)
where:
Base-Base interactions energy: -156.825
where: short stacking energy: -73.835
Base-Backbone interact. energy: -0.244
local terms energy: -86.045289
where:
bonds (distance) C4'-P energy: -14.551
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -17.872
flat angles P-C4'-P energy: -11.893
tors. eta vs tors. theta energy: -23.397
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: 1
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -96.216116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.216116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.216116 (E_RNA)
where:
Base-Base interactions energy: -38.873
where: short stacking energy: -37.373
Base-Backbone interact. energy: -0.203
local terms energy: -57.140433
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -3.963
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: 3
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -99.068343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.068343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.068343 (E_RNA)
where:
Base-Base interactions energy: -35.376
where: short stacking energy: -33.669
Base-Backbone interact. energy: -0.291
local terms energy: -63.401182
where:
bonds (distance) C4'-P energy: -18.598
bonds (distance) P-C4' energy: -17.851
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -4.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -84.853640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.853640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.853640 (E_RNA)
where:
Base-Base interactions energy: -24.458
where: short stacking energy: -24.458
Base-Backbone interact. energy: -0.108
local terms energy: -60.286980
where:
bonds (distance) C4'-P energy: -12.036
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -11.381
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: 10, replica: 7
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -81.613576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.613576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.613576 (E_RNA)
where:
Base-Base interactions energy: -27.842
where: short stacking energy: -28.642
Base-Backbone interact. energy: -0.189
local terms energy: -53.582756
where:
bonds (distance) C4'-P energy: -15.180
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -9.937
flat angles P-C4'-P energy: -5.715
tors. eta vs tors. theta energy: -5.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -265.402353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.402353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.402353 (E_RNA)
where:
Base-Base interactions energy: -173.344
where: short stacking energy: -88.551
Base-Backbone interact. energy: -0.247
local terms energy: -91.810817
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -19.005
flat angles C4'-P-C4' energy: -19.317
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -27.299
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: 9
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -249.848376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.848376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.848376 (E_RNA)
where:
Base-Base interactions energy: -163.758
where: short stacking energy: -75.916
Base-Backbone interact. energy: -0.103
local terms energy: -85.986709
where:
bonds (distance) C4'-P energy: -18.624
bonds (distance) P-C4' energy: -17.458
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -12.277
tors. eta vs tors. theta energy: -22.206
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: 287
Temperature: 1.000000
Total energy: -250.465684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.465684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.465684 (E_RNA)
where:
Base-Base interactions energy: -169.732
where: short stacking energy: -77.745
Base-Backbone interact. energy: -0.144
local terms energy: -80.589628
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -12.393
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -13.280
tors. eta vs tors. theta energy: -24.236
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: 4
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -225.437565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.437565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.437565 (E_RNA)
where:
Base-Base interactions energy: -140.879
where: short stacking energy: -64.076
Base-Backbone interact. energy: -0.258
local terms energy: -84.301068
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -17.118
flat angles C4'-P-C4' energy: -18.587
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -19.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -235.015588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.015588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.015588 (E_RNA)
where:
Base-Base interactions energy: -158.156
where: short stacking energy: -67.963
Base-Backbone interact. energy: -0.228
local terms energy: -76.631665
where:
bonds (distance) C4'-P energy: -12.204
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -22.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -232.493507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.493507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.493507 (E_RNA)
where:
Base-Base interactions energy: -144.284
where: short stacking energy: -69.183
Base-Backbone interact. energy: -0.082
local terms energy: -88.127727
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -20.250
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -15.100
tors. eta vs tors. theta energy: -21.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -104.464502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.464502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.464502 (E_RNA)
where:
Base-Base interactions energy: -42.053
where: short stacking energy: -42.053
Base-Backbone interact. energy: -0.202
local terms energy: -62.209929
where:
bonds (distance) C4'-P energy: -18.016
bonds (distance) P-C4' energy: -12.257
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -6.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -94.039985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.039985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.039985 (E_RNA)
where:
Base-Base interactions energy: -35.927
where: short stacking energy: -35.927
Base-Backbone interact. energy: -0.182
local terms energy: -57.931291
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -13.935
flat angles C4'-P-C4' energy: -13.560
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: -4.491
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: 9, replica: 8
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -89.403229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.403229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.403229 (E_RNA)
where:
Base-Base interactions energy: -36.885
where: short stacking energy: -37.485
Base-Backbone interact. energy: -0.095
local terms energy: -52.423614
where:
bonds (distance) C4'-P energy: -16.005
bonds (distance) P-C4' energy: -17.190
flat angles C4'-P-C4' energy: -9.256
flat angles P-C4'-P energy: -1.995
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: 10, replica: 7
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -80.118437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.118437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.118437 (E_RNA)
where:
Base-Base interactions energy: -25.715
where: short stacking energy: -25.549
Base-Backbone interact. energy: -0.334
local terms energy: -54.069290
where:
bonds (distance) C4'-P energy: -17.132
bonds (distance) P-C4' energy: -15.028
flat angles C4'-P-C4' energy: -9.690
flat angles P-C4'-P energy: -8.600
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: 1, replica: 6
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -266.334272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.334272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.334272 (E_RNA)
where:
Base-Base interactions energy: -175.597
where: short stacking energy: -78.022
Base-Backbone interact. energy: -0.003
local terms energy: -90.733645
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -15.767
tors. eta vs tors. theta energy: -26.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -261.060410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.060410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.060410 (E_RNA)
where:
Base-Base interactions energy: -179.192
where: short stacking energy: -84.933
Base-Backbone interact. energy: -0.204
local terms energy: -81.664520
where:
bonds (distance) C4'-P energy: -15.702
bonds (distance) P-C4' energy: -16.842
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -10.816
tors. eta vs tors. theta energy: -23.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -238.689890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.689890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.689890 (E_RNA)
where:
Base-Base interactions energy: -156.241
where: short stacking energy: -75.246
Base-Backbone interact. energy: -0.273
local terms energy: -82.176129
where:
bonds (distance) C4'-P energy: -18.313
bonds (distance) P-C4' energy: -11.569
flat angles C4'-P-C4' energy: -16.401
flat angles P-C4'-P energy: -15.707
tors. eta vs tors. theta energy: -20.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -244.214146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.214146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.214146 (E_RNA)
where:
Base-Base interactions energy: -163.925
where: short stacking energy: -75.409
Base-Backbone interact. energy: -0.042
local terms energy: -80.246879
where:
bonds (distance) C4'-P energy: -15.652
bonds (distance) P-C4' energy: -15.619
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: -22.916
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: 5, replica: 5
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -243.147913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.147913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.147913 (E_RNA)
where:
Base-Base interactions energy: -167.154
where: short stacking energy: -79.602
Base-Backbone interact. energy: -0.163
local terms energy: -75.831240
where:
bonds (distance) C4'-P energy: -17.451
bonds (distance) P-C4' energy: -9.744
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -13.180
tors. eta vs tors. theta energy: -21.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -226.142744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.142744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.142744 (E_RNA)
where:
Base-Base interactions energy: -148.572
where: short stacking energy: -65.432
Base-Backbone interact. energy: -1.023
local terms energy: -76.548352
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -17.456
flat angles P-C4'-P energy: -13.969
tors. eta vs tors. theta energy: -17.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -92.709302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.709302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.709302 (E_RNA)
where:
Base-Base interactions energy: -37.693
where: short stacking energy: -31.646
Base-Backbone interact. energy: -0.067
local terms energy: -54.949921
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -16.959
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -0.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -92.895302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.895302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.895302 (E_RNA)
where:
Base-Base interactions energy: -32.482
where: short stacking energy: -25.925
Base-Backbone interact. energy: -0.176
local terms energy: -60.236661
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -14.208
flat angles C4'-P-C4' energy: -17.692
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -3.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -92.271808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.271808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.271808 (E_RNA)
where:
Base-Base interactions energy: -37.185
where: short stacking energy: -33.812
Base-Backbone interact. energy: -0.369
local terms energy: -54.717218
where:
bonds (distance) C4'-P energy: -9.677
bonds (distance) P-C4' energy: -18.557
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -7.445
tors. eta vs tors. theta energy: -2.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -84.529373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.529373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.529373 (E_RNA)
where:
Base-Base interactions energy: -26.849
where: short stacking energy: -24.139
Base-Backbone interact. energy: -0.100
local terms energy: -57.580780
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -6.499
tors. eta vs tors. theta energy: -5.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -270.196029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.196029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.196029 (E_RNA)
where:
Base-Base interactions energy: -171.832
where: short stacking energy: -82.796
Base-Backbone interact. energy: -2.103
local terms energy: -96.261120
where:
bonds (distance) C4'-P energy: -18.073
bonds (distance) P-C4' energy: -18.070
flat angles C4'-P-C4' energy: -21.078
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -27.980
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: 9
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -264.713758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.713758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.713758 (E_RNA)
where:
Base-Base interactions energy: -170.729
where: short stacking energy: -80.836
Base-Backbone interact. energy: -0.283
local terms energy: -93.701791
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -18.481
flat angles C4'-P-C4' energy: -18.436
flat angles P-C4'-P energy: -15.732
tors. eta vs tors. theta energy: -26.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -237.401425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.401425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.401425 (E_RNA)
where:
Base-Base interactions energy: -155.148
where: short stacking energy: -63.317
Base-Backbone interact. energy: -0.886
local terms energy: -81.367643
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -18.918
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -19.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -259.715580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.715580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.715580 (E_RNA)
where:
Base-Base interactions energy: -169.331
where: short stacking energy: -82.942
Base-Backbone interact. energy: -0.093
local terms energy: -90.291761
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -18.771
flat angles C4'-P-C4' energy: -17.461
flat angles P-C4'-P energy: -12.629
tors. eta vs tors. theta energy: -27.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -239.232316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.232316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.232316 (E_RNA)
where:
Base-Base interactions energy: -159.848
where: short stacking energy: -74.411
Base-Backbone interact. energy: -0.263
local terms energy: -79.121167
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -24.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -216.997466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.997466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.997466 (E_RNA)
where:
Base-Base interactions energy: -140.541
where: short stacking energy: -62.710
Base-Backbone interact. energy: -0.102
local terms energy: -76.354683
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -16.834
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -17.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -103.969123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.969123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.969123 (E_RNA)
where:
Base-Base interactions energy: -45.582
where: short stacking energy: -34.152
Base-Backbone interact. energy: -0.400
local terms energy: -57.987295
where:
bonds (distance) C4'-P energy: -15.544
bonds (distance) P-C4' energy: -11.443
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -4.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -110.280434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.280434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.280434 (E_RNA)
where:
Base-Base interactions energy: -43.620
where: short stacking energy: -28.169
Base-Backbone interact. energy: -0.337
local terms energy: -66.323651
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -18.337
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -6.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -80.307800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.307800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.307800 (E_RNA)
where:
Base-Base interactions energy: -30.624
where: short stacking energy: -27.634
Base-Backbone interact. energy: -0.025
local terms energy: -49.658865
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -16.351
flat angles C4'-P-C4' energy: -16.794
flat angles P-C4'-P energy: -3.233
tors. eta vs tors. theta energy: 0.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -89.290620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.290620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.290620 (E_RNA)
where:
Base-Base interactions energy: -35.850
where: short stacking energy: -20.833
Base-Backbone interact. energy: -0.478
local terms energy: -52.963078
where:
bonds (distance) C4'-P energy: -9.906
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -10.565
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: 1, replica: 9
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -253.173285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.173285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.173285 (E_RNA)
where:
Base-Base interactions energy: -166.807
where: short stacking energy: -73.782
Base-Backbone interact. energy: -0.194
local terms energy: -86.172220
where:
bonds (distance) C4'-P energy: -18.550
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -22.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -262.514301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.514301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.514301 (E_RNA)
where:
Base-Base interactions energy: -167.322
where: short stacking energy: -84.241
Base-Backbone interact. energy: -0.026
local terms energy: -95.166272
where:
bonds (distance) C4'-P energy: -18.104
bonds (distance) P-C4' energy: -21.120
flat angles C4'-P-C4' energy: -19.016
flat angles P-C4'-P energy: -11.156
tors. eta vs tors. theta energy: -25.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -249.800126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.800126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.800126 (E_RNA)
where:
Base-Base interactions energy: -160.717
where: short stacking energy: -84.587
Base-Backbone interact. energy: -0.005
local terms energy: -89.078887
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -20.111
flat angles P-C4'-P energy: -11.196
tors. eta vs tors. theta energy: -27.599
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: 4
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -237.268745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.268745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.268745 (E_RNA)
where:
Base-Base interactions energy: -153.850
where: short stacking energy: -75.218
Base-Backbone interact. energy: -0.033
local terms energy: -83.385557
where:
bonds (distance) C4'-P energy: -16.807
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -18.585
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -23.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -234.719204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.719204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.719204 (E_RNA)
where:
Base-Base interactions energy: -147.425
where: short stacking energy: -74.794
Base-Backbone interact. energy: -0.004
local terms energy: -87.290024
where:
bonds (distance) C4'-P energy: -14.299
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -18.184
flat angles P-C4'-P energy: -13.394
tors. eta vs tors. theta energy: -25.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -224.228344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.228344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.228344 (E_RNA)
where:
Base-Base interactions energy: -146.026
where: short stacking energy: -61.399
Base-Backbone interact. energy: -0.001
local terms energy: -78.201435
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -11.439
flat angles C4'-P-C4' energy: -18.657
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -22.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -114.450860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.450860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.450860 (E_RNA)
where:
Base-Base interactions energy: -47.759
where: short stacking energy: -47.482
Base-Backbone interact. energy: -0.109
local terms energy: -66.582801
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -15.911
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -13.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -112.678344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.678344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.678344 (E_RNA)
where:
Base-Base interactions energy: -53.006
where: short stacking energy: -36.263
Base-Backbone interact. energy: -0.288
local terms energy: -59.384930
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -9.871
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -6.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -90.197696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.197696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.197696 (E_RNA)
where:
Base-Base interactions energy: -35.718
where: short stacking energy: -34.863
Base-Backbone interact. energy: -0.008
local terms energy: -54.471743
where:
bonds (distance) C4'-P energy: -18.065
bonds (distance) P-C4' energy: -16.236
flat angles C4'-P-C4' energy: -13.326
flat angles P-C4'-P energy: -5.198
tors. eta vs tors. theta energy: -1.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -77.803527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.803527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.803527 (E_RNA)
where:
Base-Base interactions energy: -22.358
where: short stacking energy: -18.468
Base-Backbone interact. energy: -0.242
local terms energy: -55.203086
where:
bonds (distance) C4'-P energy: -15.528
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: 1.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -257.448848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.448848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.448848 (E_RNA)
where:
Base-Base interactions energy: -167.968
where: short stacking energy: -74.181
Base-Backbone interact. energy: -0.004
local terms energy: -89.476107
where:
bonds (distance) C4'-P energy: -18.350
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -19.366
flat angles P-C4'-P energy: -7.676
tors. eta vs tors. theta energy: -25.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -264.533113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.533113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.533113 (E_RNA)
where:
Base-Base interactions energy: -174.572
where: short stacking energy: -82.155
Base-Backbone interact. energy: -0.056
local terms energy: -89.904959
where:
bonds (distance) C4'-P energy: -16.058
bonds (distance) P-C4' energy: -16.673
flat angles C4'-P-C4' energy: -19.019
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -25.929
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: 3, replica: 6
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -241.383672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.383672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.383672 (E_RNA)
where:
Base-Base interactions energy: -159.997
where: short stacking energy: -67.506
Base-Backbone interact. energy: -0.011
local terms energy: -81.375662
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -17.648
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -22.913
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: 5
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -241.066724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.066724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.066724 (E_RNA)
where:
Base-Base interactions energy: -154.000
where: short stacking energy: -74.008
Base-Backbone interact. energy: -0.682
local terms energy: -86.384709
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -19.562
flat angles P-C4'-P energy: -13.228
tors. eta vs tors. theta energy: -23.313
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: 4
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -235.166615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.166615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.166615 (E_RNA)
where:
Base-Base interactions energy: -161.952
where: short stacking energy: -69.508
Base-Backbone interact. energy: -0.132
local terms energy: -73.082668
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -10.060
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: 6, replica: 2
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -233.521093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.521093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.521093 (E_RNA)
where:
Base-Base interactions energy: -156.427
where: short stacking energy: -72.999
Base-Backbone interact. energy: -0.238
local terms energy: -76.856308
where:
bonds (distance) C4'-P energy: -17.034
bonds (distance) P-C4' energy: -13.380
flat angles C4'-P-C4' energy: -11.338
flat angles P-C4'-P energy: -8.605
tors. eta vs tors. theta energy: -26.500
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: 8
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -100.006658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.006658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.006658 (E_RNA)
where:
Base-Base interactions energy: -42.658
where: short stacking energy: -41.543
Base-Backbone interact. energy: -0.230
local terms energy: -57.119108
where:
bonds (distance) C4'-P energy: -10.221
bonds (distance) P-C4' energy: -16.046
flat angles C4'-P-C4' energy: -18.619
flat angles P-C4'-P energy: -7.532
tors. eta vs tors. theta energy: -4.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -85.333839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.333839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.333839 (E_RNA)
where:
Base-Base interactions energy: -28.363
where: short stacking energy: -27.907
Base-Backbone interact. energy: 0.600
local terms energy: -57.570469
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -7.170
tors. eta vs tors. theta energy: -8.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -93.830176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.830176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.830176 (E_RNA)
where:
Base-Base interactions energy: -40.656
where: short stacking energy: -37.817
Base-Backbone interact. energy: -0.300
local terms energy: -52.873925
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -2.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -83.784655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.784655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.784655 (E_RNA)
where:
Base-Base interactions energy: -28.746
where: short stacking energy: -25.432
Base-Backbone interact. energy: -0.342
local terms energy: -54.696572
where:
bonds (distance) C4'-P energy: -10.786
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -10.949
flat angles P-C4'-P energy: -11.931
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: 1, replica: 10
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -274.241316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.241316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.241316 (E_RNA)
where:
Base-Base interactions energy: -184.406
where: short stacking energy: -80.956
Base-Backbone interact. energy: -0.049
local terms energy: -89.787002
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -16.475
flat angles P-C4'-P energy: -13.599
tors. eta vs tors. theta energy: -27.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -259.705388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.705388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.705388 (E_RNA)
where:
Base-Base interactions energy: -166.493
where: short stacking energy: -82.879
Base-Backbone interact. energy: -0.055
local terms energy: -93.157680
where:
bonds (distance) C4'-P energy: -17.032
bonds (distance) P-C4' energy: -16.847
flat angles C4'-P-C4' energy: -20.220
flat angles P-C4'-P energy: -14.232
tors. eta vs tors. theta energy: -24.827
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: 5
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -255.096920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.096920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.096920 (E_RNA)
where:
Base-Base interactions energy: -172.448
where: short stacking energy: -83.482
Base-Backbone interact. energy: 0.477
local terms energy: -83.125888
where:
bonds (distance) C4'-P energy: -9.739
bonds (distance) P-C4' energy: -9.546
flat angles C4'-P-C4' energy: -20.714
flat angles P-C4'-P energy: -15.819
tors. eta vs tors. theta energy: -27.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -218.995865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.995865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.995865 (E_RNA)
where:
Base-Base interactions energy: -141.358
where: short stacking energy: -62.564
Base-Backbone interact. energy: -0.209
local terms energy: -77.429159
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -17.224
flat angles P-C4'-P energy: -12.936
tors. eta vs tors. theta energy: -16.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -243.095632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.095632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.095632 (E_RNA)
where:
Base-Base interactions energy: -160.639
where: short stacking energy: -74.310
Base-Backbone interact. energy: -0.002
local terms energy: -82.454266
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -19.976
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -23.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -232.737237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.737237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.737237 (E_RNA)
where:
Base-Base interactions energy: -160.852
where: short stacking energy: -79.057
Base-Backbone interact. energy: 0.735
local terms energy: -72.620328
where:
bonds (distance) C4'-P energy: -9.008
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -24.609
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: 7, replica: 3
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -85.272354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.272354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.272354 (E_RNA)
where:
Base-Base interactions energy: -35.222
where: short stacking energy: -28.942
Base-Backbone interact. energy: -0.120
local terms energy: -49.930860
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -11.450
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -1.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -84.579408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.579408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.579408 (E_RNA)
where:
Base-Base interactions energy: -26.955
where: short stacking energy: -26.655
Base-Backbone interact. energy: -0.208
local terms energy: -57.416002
where:
bonds (distance) C4'-P energy: -16.423
bonds (distance) P-C4' energy: -16.201
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -5.993
tors. eta vs tors. theta energy: -2.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -92.212936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.212936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.212936 (E_RNA)
where:
Base-Base interactions energy: -34.650
where: short stacking energy: -23.345
Base-Backbone interact. energy: -0.135
local terms energy: -57.427690
where:
bonds (distance) C4'-P energy: -12.044
bonds (distance) P-C4' energy: -15.254
flat angles C4'-P-C4' energy: -18.082
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -2.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -84.586601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.586601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.586601 (E_RNA)
where:
Base-Base interactions energy: -28.881
where: short stacking energy: -27.981
Base-Backbone interact. energy: -0.191
local terms energy: -55.513963
where:
bonds (distance) C4'-P energy: -19.600
bonds (distance) P-C4' energy: -18.866
flat angles C4'-P-C4' energy: -6.948
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: 0.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -268.057818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.057818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.057818 (E_RNA)
where:
Base-Base interactions energy: -175.023
where: short stacking energy: -83.754
Base-Backbone interact. energy: -0.007
local terms energy: -93.028500
where:
bonds (distance) C4'-P energy: -18.136
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -17.763
flat angles P-C4'-P energy: -12.774
tors. eta vs tors. theta energy: -26.001
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: 5
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -265.189620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.189620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.189620 (E_RNA)
where:
Base-Base interactions energy: -181.169
where: short stacking energy: -88.910
Base-Backbone interact. energy: -0.063
local terms energy: -83.956873
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -16.783
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -26.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -258.212084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.212084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.212084 (E_RNA)
where:
Base-Base interactions energy: -176.129
where: short stacking energy: -81.989
Base-Backbone interact. energy: -0.084
local terms energy: -81.998426
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -25.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -231.623323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.623323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.623323 (E_RNA)
where:
Base-Base interactions energy: -150.276
where: short stacking energy: -67.287
Base-Backbone interact. energy: -0.065
local terms energy: -81.281733
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -13.389
flat angles P-C4'-P energy: -14.308
tors. eta vs tors. theta energy: -20.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -244.634626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.634626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.634626 (E_RNA)
where:
Base-Base interactions energy: -160.263
where: short stacking energy: -78.964
Base-Backbone interact. energy: -0.066
local terms energy: -84.305978
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -16.987
flat angles C4'-P-C4' energy: -18.206
flat angles P-C4'-P energy: -11.477
tors. eta vs tors. theta energy: -23.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -225.530521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.530521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.530521 (E_RNA)
where:
Base-Base interactions energy: -156.679
where: short stacking energy: -74.339
Base-Backbone interact. energy: -0.312
local terms energy: -68.539461
where:
bonds (distance) C4'-P energy: -7.871
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -18.723
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -20.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -110.781568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.781568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.781568 (E_RNA)
where:
Base-Base interactions energy: -43.011
where: short stacking energy: -22.640
Base-Backbone interact. energy: -0.398
local terms energy: -67.373217
where:
bonds (distance) C4'-P energy: -19.547
bonds (distance) P-C4' energy: -17.983
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -3.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -81.717729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.717729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.717729 (E_RNA)
where:
Base-Base interactions energy: -31.682
where: short stacking energy: -15.427
Base-Backbone interact. energy: -0.466
local terms energy: -49.569940
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -18.368
flat angles C4'-P-C4' energy: -11.519
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: 3.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -90.694049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.694049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.694049 (E_RNA)
where:
Base-Base interactions energy: -31.324
where: short stacking energy: -31.324
Base-Backbone interact. energy: -0.129
local terms energy: -59.241245
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -16.393
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: -2.542
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: 1
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -78.550481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.550481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.550481 (E_RNA)
where:
Base-Base interactions energy: -28.540
where: short stacking energy: -27.687
Base-Backbone interact. energy: -0.033
local terms energy: -49.977579
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -8.294
tors. eta vs tors. theta energy: -0.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -267.150871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.150871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.150871 (E_RNA)
where:
Base-Base interactions energy: -175.448
where: short stacking energy: -79.285
Base-Backbone interact. energy: -0.085
local terms energy: -91.618039
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -18.758
flat angles P-C4'-P energy: -12.871
tors. eta vs tors. theta energy: -25.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -255.408016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.408016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.408016 (E_RNA)
where:
Base-Base interactions energy: -169.769
where: short stacking energy: -87.195
Base-Backbone interact. energy: -0.025
local terms energy: -85.613542
where:
bonds (distance) C4'-P energy: -10.175
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -18.367
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -27.617
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: 9
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -250.282760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.282760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.282760 (E_RNA)
where:
Base-Base interactions energy: -172.634
where: short stacking energy: -82.685
Base-Backbone interact. energy: -0.072
local terms energy: -77.576075
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -12.769
flat angles C4'-P-C4' energy: -14.850
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -24.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -250.331969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.331969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.331969 (E_RNA)
where:
Base-Base interactions energy: -161.959
where: short stacking energy: -77.413
Base-Backbone interact. energy: -0.039
local terms energy: -88.334072
where:
bonds (distance) C4'-P energy: -18.350
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -12.717
tors. eta vs tors. theta energy: -26.215
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: 6
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -237.704271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.704271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.704271 (E_RNA)
where:
Base-Base interactions energy: -157.229
where: short stacking energy: -58.814
Base-Backbone interact. energy: 2.123
local terms energy: -82.598190
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -13.197
tors. eta vs tors. theta energy: -21.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -230.277953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.277953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.277953 (E_RNA)
where:
Base-Base interactions energy: -153.707
where: short stacking energy: -73.849
Base-Backbone interact. energy: -0.675
local terms energy: -75.895926
where:
bonds (distance) C4'-P energy: -10.693
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -24.794
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: 7, replica: 3
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -106.003444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.003444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.003444 (E_RNA)
where:
Base-Base interactions energy: -37.124
where: short stacking energy: -36.827
Base-Backbone interact. energy: -1.462
local terms energy: -67.417829
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -17.187
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -7.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -96.007128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.007128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.007128 (E_RNA)
where:
Base-Base interactions energy: -34.978
where: short stacking energy: -34.958
Base-Backbone interact. energy: -0.237
local terms energy: -60.791929
where:
bonds (distance) C4'-P energy: -10.212
bonds (distance) P-C4' energy: -17.508
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: -7.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -85.620667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.620667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.620667 (E_RNA)
where:
Base-Base interactions energy: -33.149
where: short stacking energy: -32.678
Base-Backbone interact. energy: -0.187
local terms energy: -52.283784
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -12.495
flat angles P-C4'-P energy: -8.037
tors. eta vs tors. theta energy: -1.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -88.835424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.835424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.835424 (E_RNA)
where:
Base-Base interactions energy: -36.579
where: short stacking energy: -36.579
Base-Backbone interact. energy: -0.153
local terms energy: -52.103952
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -5.839
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -3.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -267.169034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.169034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.169034 (E_RNA)
where:
Base-Base interactions energy: -170.045
where: short stacking energy: -76.926
Base-Backbone interact. energy: -0.006
local terms energy: -97.117114
where:
bonds (distance) C4'-P energy: -17.597
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -20.814
flat angles P-C4'-P energy: -16.059
tors. eta vs tors. theta energy: -25.380
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: 10
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -255.368880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.368880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.368880 (E_RNA)
where:
Base-Base interactions energy: -168.399
where: short stacking energy: -80.616
Base-Backbone interact. energy: -0.567
local terms energy: -86.403355
where:
bonds (distance) C4'-P energy: -17.349
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -18.575
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -23.792
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: 9
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -252.469237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.469237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.469237 (E_RNA)
where:
Base-Base interactions energy: -166.775
where: short stacking energy: -81.012
Base-Backbone interact. energy: -0.628
local terms energy: -85.066540
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -18.273
flat angles P-C4'-P energy: -11.968
tors. eta vs tors. theta energy: -25.707
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: 6
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -233.176351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.176351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.176351 (E_RNA)
where:
Base-Base interactions energy: -151.114
where: short stacking energy: -60.887
Base-Backbone interact. energy: -0.100
local terms energy: -81.961411
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -19.356
flat angles P-C4'-P energy: -14.595
tors. eta vs tors. theta energy: -17.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -240.571351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.571351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.571351 (E_RNA)
where:
Base-Base interactions energy: -153.386
where: short stacking energy: -73.841
Base-Backbone interact. energy: -0.672
local terms energy: -86.513597
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -19.801
flat angles P-C4'-P energy: -12.360
tors. eta vs tors. theta energy: -25.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -230.615143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.615143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.615143 (E_RNA)
where:
Base-Base interactions energy: -144.549
where: short stacking energy: -64.334
Base-Backbone interact. energy: -0.044
local terms energy: -86.021710
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -19.762
flat angles P-C4'-P energy: -13.188
tors. eta vs tors. theta energy: -22.464
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: 7, replica: 3
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -100.907949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.907949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.907949 (E_RNA)
where:
Base-Base interactions energy: -38.181
where: short stacking energy: -34.060
Base-Backbone interact. energy: -0.326
local terms energy: -62.400324
where:
bonds (distance) C4'-P energy: -10.567
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -18.544
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: -5.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -89.785887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.785887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.785887 (E_RNA)
where:
Base-Base interactions energy: -37.731
where: short stacking energy: -30.764
Base-Backbone interact. energy: 0.096
local terms energy: -52.151069
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -11.053
flat angles C4'-P-C4' energy: -11.576
flat angles P-C4'-P energy: -10.505
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: 9, replica: 7
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -93.228811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.228811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.228811 (E_RNA)
where:
Base-Base interactions energy: -39.653
where: short stacking energy: -30.266
Base-Backbone interact. energy: -1.195
local terms energy: -52.380661
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -3.109
tors. eta vs tors. theta energy: -0.869
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: 1
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -79.217206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.217206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.217206 (E_RNA)
where:
Base-Base interactions energy: -29.605
where: short stacking energy: -21.489
Base-Backbone interact. energy: -0.187
local terms energy: -49.425003
where:
bonds (distance) C4'-P energy: -13.694
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -8.619
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -4.874
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: 1, replica: 5
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -260.417903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.417903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.417903 (E_RNA)
where:
Base-Base interactions energy: -171.763
where: short stacking energy: -78.906
Base-Backbone interact. energy: -0.100
local terms energy: -88.555241
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -18.868
flat angles C4'-P-C4' energy: -17.823
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: -25.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -239.235244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.235244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.235244 (E_RNA)
where:
Base-Base interactions energy: -154.953
where: short stacking energy: -69.817
Base-Backbone interact. energy: -0.014
local terms energy: -84.268425
where:
bonds (distance) C4'-P energy: -17.621
bonds (distance) P-C4' energy: -16.538
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: -25.271
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: 6
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -240.262629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.262629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.262629 (E_RNA)
where:
Base-Base interactions energy: -156.510
where: short stacking energy: -63.237
Base-Backbone interact. energy: -0.423
local terms energy: -83.330523
where:
bonds (distance) C4'-P energy: -16.347
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -18.552
flat angles P-C4'-P energy: -11.844
tors. eta vs tors. theta energy: -21.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -247.842275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.842275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.842275 (E_RNA)
where:
Base-Base interactions energy: -153.672
where: short stacking energy: -68.871
Base-Backbone interact. energy: -0.081
local terms energy: -94.088833
where:
bonds (distance) C4'-P energy: -17.406
bonds (distance) P-C4' energy: -18.428
flat angles C4'-P-C4' energy: -18.063
flat angles P-C4'-P energy: -15.365
tors. eta vs tors. theta energy: -24.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -241.014533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.014533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.014533 (E_RNA)
where:
Base-Base interactions energy: -154.167
where: short stacking energy: -75.285
Base-Backbone interact. energy: -0.166
local terms energy: -86.681083
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -14.047
tors. eta vs tors. theta energy: -23.729
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: 2
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -229.852137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.852137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.852137 (E_RNA)
where:
Base-Base interactions energy: -159.488
where: short stacking energy: -75.941
Base-Backbone interact. energy: 0.369
local terms energy: -70.733540
where:
bonds (distance) C4'-P energy: -11.100
bonds (distance) P-C4' energy: -7.253
flat angles C4'-P-C4' energy: -16.471
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: -24.115
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: 3
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -103.790071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.790071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.790071 (E_RNA)
where:
Base-Base interactions energy: -39.488
where: short stacking energy: -39.488
Base-Backbone interact. energy: -0.371
local terms energy: -63.930346
where:
bonds (distance) C4'-P energy: -11.272
bonds (distance) P-C4' energy: -17.128
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -11.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -97.760326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.760326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.760326 (E_RNA)
where:
Base-Base interactions energy: -41.459
where: short stacking energy: -32.549
Base-Backbone interact. energy: 1.376
local terms energy: -57.677599
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -6.467
tors. eta vs tors. theta energy: -8.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -91.309875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.309875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.309875 (E_RNA)
where:
Base-Base interactions energy: -29.834
where: short stacking energy: -26.575
Base-Backbone interact. energy: -0.173
local terms energy: -61.303056
where:
bonds (distance) C4'-P energy: -18.515
bonds (distance) P-C4' energy: -12.984
flat angles C4'-P-C4' energy: -18.330
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -1.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -75.075607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.075607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.075607 (E_RNA)
where:
Base-Base interactions energy: -35.015
where: short stacking energy: -30.488
Base-Backbone interact. energy: 0.128
local terms energy: -40.189127
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -11.123
flat angles C4'-P-C4' energy: -12.002
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: 4.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -260.332140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.332140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.332140 (E_RNA)
where:
Base-Base interactions energy: -169.637
where: short stacking energy: -78.316
Base-Backbone interact. energy: -0.020
local terms energy: -90.674260
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -17.850
flat angles C4'-P-C4' energy: -18.456
flat angles P-C4'-P energy: -14.368
tors. eta vs tors. theta energy: -24.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -244.628655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.628655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.628655 (E_RNA)
where:
Base-Base interactions energy: -156.149
where: short stacking energy: -68.753
Base-Backbone interact. energy: -0.109
local terms energy: -88.370527
where:
bonds (distance) C4'-P energy: -17.241
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -18.625
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -22.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -255.860677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.860677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.860677 (E_RNA)
where:
Base-Base interactions energy: -165.363
where: short stacking energy: -69.583
Base-Backbone interact. energy: -0.058
local terms energy: -90.439961
where:
bonds (distance) C4'-P energy: -16.166
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -19.037
flat angles P-C4'-P energy: -15.234
tors. eta vs tors. theta energy: -23.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -244.680010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.680010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.680010 (E_RNA)
where:
Base-Base interactions energy: -166.135
where: short stacking energy: -68.813
Base-Backbone interact. energy: -0.158
local terms energy: -78.386401
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -21.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -224.834452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.834452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.834452 (E_RNA)
where:
Base-Base interactions energy: -143.267
where: short stacking energy: -77.463
Base-Backbone interact. energy: -0.061
local terms energy: -81.507331
where:
bonds (distance) C4'-P energy: -18.276
bonds (distance) P-C4' energy: -17.466
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -12.729
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: 6, replica: 2
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -222.481899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.481899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.481899 (E_RNA)
where:
Base-Base interactions energy: -143.120
where: short stacking energy: -61.331
Base-Backbone interact. energy: -0.146
local terms energy: -79.215557
where:
bonds (distance) C4'-P energy: -18.562
bonds (distance) P-C4' energy: -18.935
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -12.414
tors. eta vs tors. theta energy: -13.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -104.213463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.213463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.213463 (E_RNA)
where:
Base-Base interactions energy: -38.910
where: short stacking energy: -38.910
Base-Backbone interact. energy: -0.102
local terms energy: -65.201459
where:
bonds (distance) C4'-P energy: -18.142
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -17.027
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -5.833
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: 7
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -96.382230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.382230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.382230 (E_RNA)
where:
Base-Base interactions energy: -41.792
where: short stacking energy: -36.321
Base-Backbone interact. energy: -0.328
local terms energy: -54.262095
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -11.964
flat angles P-C4'-P energy: -6.286
tors. eta vs tors. theta energy: -5.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -89.913077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.913077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.913077 (E_RNA)
where:
Base-Base interactions energy: -29.697
where: short stacking energy: -29.044
Base-Backbone interact. energy: 1.804
local terms energy: -62.019540
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -16.862
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -3.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -83.195634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.195634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.195634 (E_RNA)
where:
Base-Base interactions energy: -32.588
where: short stacking energy: -32.588
Base-Backbone interact. energy: -0.131
local terms energy: -50.477065
where:
bonds (distance) C4'-P energy: -9.246
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -8.811
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -4.407
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: 5
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -263.287460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.287460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.287460 (E_RNA)
where:
Base-Base interactions energy: -174.574
where: short stacking energy: -80.869
Base-Backbone interact. energy: -0.048
local terms energy: -88.665001
where:
bonds (distance) C4'-P energy: -18.339
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -25.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -243.462083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.462083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.462083 (E_RNA)
where:
Base-Base interactions energy: -157.495
where: short stacking energy: -71.579
Base-Backbone interact. energy: 0.050
local terms energy: -86.016650
where:
bonds (distance) C4'-P energy: -14.200
bonds (distance) P-C4' energy: -20.669
flat angles C4'-P-C4' energy: -18.033
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -22.459
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: 9
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -247.896879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.896879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.896879 (E_RNA)
where:
Base-Base interactions energy: -158.098
where: short stacking energy: -69.046
Base-Backbone interact. energy: -0.080
local terms energy: -89.718692
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -18.737
flat angles C4'-P-C4' energy: -20.130
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -22.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -241.860438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.860438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.860438 (E_RNA)
where:
Base-Base interactions energy: -164.633
where: short stacking energy: -78.433
Base-Backbone interact. energy: -0.011
local terms energy: -77.217205
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -14.602
flat angles C4'-P-C4' energy: -15.565
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -22.837
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: 2
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -222.701282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.701282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.701282 (E_RNA)
where:
Base-Base interactions energy: -143.556
where: short stacking energy: -65.260
Base-Backbone interact. energy: 0.004
local terms energy: -79.150039
where:
bonds (distance) C4'-P energy: -18.807
bonds (distance) P-C4' energy: -19.545
flat angles C4'-P-C4' energy: -16.581
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -13.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -232.250922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.250922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.250922 (E_RNA)
where:
Base-Base interactions energy: -150.919
where: short stacking energy: -67.454
Base-Backbone interact. energy: -0.810
local terms energy: -80.521948
where:
bonds (distance) C4'-P energy: -16.476
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -15.154
tors. eta vs tors. theta energy: -19.846
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: 3
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -120.635521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.635521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.635521 (E_RNA)
where:
Base-Base interactions energy: -58.819
where: short stacking energy: -31.712
Base-Backbone interact. energy: -0.133
local terms energy: -61.683524
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -6.858
tors. eta vs tors. theta energy: -9.416
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: 8, replica: 7
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -96.529744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.529744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.529744 (E_RNA)
where:
Base-Base interactions energy: -36.303
where: short stacking energy: -28.705
Base-Backbone interact. energy: 0.205
local terms energy: -60.431053
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -12.540
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -14.077
tors. eta vs tors. theta energy: -2.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -95.180026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.180026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.180026 (E_RNA)
where:
Base-Base interactions energy: -38.501
where: short stacking energy: -38.501
Base-Backbone interact. energy: -0.310
local terms energy: -56.369946
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -11.932
flat angles P-C4'-P energy: -7.049
tors. eta vs tors. theta energy: -6.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -87.994935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.994935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.994935 (E_RNA)
where:
Base-Base interactions energy: -24.298
where: short stacking energy: -24.298
Base-Backbone interact. energy: -0.045
local terms energy: -63.652360
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -17.951
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -2.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -267.267433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.267433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.267433 (E_RNA)
where:
Base-Base interactions energy: -174.321
where: short stacking energy: -76.941
Base-Backbone interact. energy: -0.805
local terms energy: -92.141478
where:
bonds (distance) C4'-P energy: -16.694
bonds (distance) P-C4' energy: -17.291
flat angles C4'-P-C4' energy: -20.230
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -26.288
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: 9
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -267.394118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.394118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.394118 (E_RNA)
where:
Base-Base interactions energy: -168.052
where: short stacking energy: -80.979
Base-Backbone interact. energy: -0.014
local terms energy: -99.328214
where:
bonds (distance) C4'-P energy: -19.691
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -19.030
flat angles P-C4'-P energy: -13.173
tors. eta vs tors. theta energy: -27.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -235.840081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.840081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.840081 (E_RNA)
where:
Base-Base interactions energy: -151.104
where: short stacking energy: -70.212
Base-Backbone interact. energy: -0.011
local terms energy: -84.724965
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -18.628
flat angles C4'-P-C4' energy: -17.035
flat angles P-C4'-P energy: -12.782
tors. eta vs tors. theta energy: -20.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -239.512211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.512211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.512211 (E_RNA)
where:
Base-Base interactions energy: -155.815
where: short stacking energy: -66.538
Base-Backbone interact. energy: -0.260
local terms energy: -83.436669
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -15.548
tors. eta vs tors. theta energy: -22.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -234.279167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.279167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.279167 (E_RNA)
where:
Base-Base interactions energy: -158.112
where: short stacking energy: -70.825
Base-Backbone interact. energy: -0.105
local terms energy: -76.061773
where:
bonds (distance) C4'-P energy: -13.073
bonds (distance) P-C4' energy: -14.763
flat angles C4'-P-C4' energy: -17.805
flat angles P-C4'-P energy: -11.876
tors. eta vs tors. theta energy: -18.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -231.166516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.166516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.166516 (E_RNA)
where:
Base-Base interactions energy: -153.115
where: short stacking energy: -74.446
Base-Backbone interact. energy: -0.121
local terms energy: -77.930465
where:
bonds (distance) C4'-P energy: -9.466
bonds (distance) P-C4' energy: -18.657
flat angles C4'-P-C4' energy: -17.315
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -21.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -100.765167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.765167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.765167 (E_RNA)
where:
Base-Base interactions energy: -38.637
where: short stacking energy: -36.299
Base-Backbone interact. energy: 0.075
local terms energy: -62.204004
where:
bonds (distance) C4'-P energy: -17.912
bonds (distance) P-C4' energy: -13.072
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -11.682
tors. eta vs tors. theta energy: -6.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -91.891507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.891507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.891507 (E_RNA)
where:
Base-Base interactions energy: -39.533
where: short stacking energy: -39.533
Base-Backbone interact. energy: -0.094
local terms energy: -52.264806
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -14.710
flat angles C4'-P-C4' energy: -13.015
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -2.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -94.619459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.619459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.619459 (E_RNA)
where:
Base-Base interactions energy: -35.508
where: short stacking energy: -35.508
Base-Backbone interact. energy: 0.013
local terms energy: -59.124752
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -13.611
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -6.847
tors. eta vs tors. theta energy: -9.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -94.448870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.448870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.448870 (E_RNA)
where:
Base-Base interactions energy: -33.298
where: short stacking energy: -27.566
Base-Backbone interact. energy: 0.084
local terms energy: -61.235104
where:
bonds (distance) C4'-P energy: -16.479
bonds (distance) P-C4' energy: -15.114
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -4.352
tors. eta vs tors. theta energy: -12.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -262.747563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.747563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.747563 (E_RNA)
where:
Base-Base interactions energy: -171.817
where: short stacking energy: -78.961
Base-Backbone interact. energy: -2.761
local terms energy: -88.169339
where:
bonds (distance) C4'-P energy: -17.340
bonds (distance) P-C4' energy: -18.284
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -26.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -257.803142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.803142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.803142 (E_RNA)
where:
Base-Base interactions energy: -161.667
where: short stacking energy: -79.526
Base-Backbone interact. energy: -0.169
local terms energy: -95.967518
where:
bonds (distance) C4'-P energy: -18.810
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -21.598
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -26.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -239.067581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.067581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.067581 (E_RNA)
where:
Base-Base interactions energy: -153.360
where: short stacking energy: -65.894
Base-Backbone interact. energy: 0.057
local terms energy: -85.763929
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -19.932
flat angles C4'-P-C4' energy: -15.896
flat angles P-C4'-P energy: -12.724
tors. eta vs tors. theta energy: -22.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -235.286011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.286011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.286011 (E_RNA)
where:
Base-Base interactions energy: -148.606
where: short stacking energy: -64.801
Base-Backbone interact. energy: -0.104
local terms energy: -86.575282
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -19.317
flat angles C4'-P-C4' energy: -17.436
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -22.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -215.816349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.816349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.816349 (E_RNA)
where:
Base-Base interactions energy: -142.544
where: short stacking energy: -59.190
Base-Backbone interact. energy: -0.114
local terms energy: -73.158229
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -17.554
flat angles P-C4'-P energy: -13.476
tors. eta vs tors. theta energy: -15.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -220.665869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.665869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.665869 (E_RNA)
where:
Base-Base interactions energy: -151.216
where: short stacking energy: -76.855
Base-Backbone interact. energy: -0.015
local terms energy: -69.434966
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -11.742
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -21.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -100.142059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.142059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.142059 (E_RNA)
where:
Base-Base interactions energy: -44.155
where: short stacking energy: -35.954
Base-Backbone interact. energy: -0.099
local terms energy: -55.888557
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -13.812
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -6.190
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: 3
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -85.691807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.691807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.691807 (E_RNA)
where:
Base-Base interactions energy: -31.759
where: short stacking energy: -26.269
Base-Backbone interact. energy: -0.028
local terms energy: -53.904457
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -12.732
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: 0.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -103.354203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.354203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.354203 (E_RNA)
where:
Base-Base interactions energy: -40.367
where: short stacking energy: -37.352
Base-Backbone interact. energy: -0.232
local terms energy: -62.755520
where:
bonds (distance) C4'-P energy: -11.117
bonds (distance) P-C4' energy: -19.889
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -6.603
tors. eta vs tors. theta energy: -8.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -83.566719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.566719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.566719 (E_RNA)
where:
Base-Base interactions energy: -30.622
where: short stacking energy: -22.777
Base-Backbone interact. energy: -0.500
local terms energy: -52.445025
where:
bonds (distance) C4'-P energy: -14.994
bonds (distance) P-C4' energy: -10.825
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -14.391
tors. eta vs tors. theta energy: 3.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -261.678920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.678920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.678920 (E_RNA)
where:
Base-Base interactions energy: -174.274
where: short stacking energy: -79.526
Base-Backbone interact. energy: -0.005
local terms energy: -87.399494
where:
bonds (distance) C4'-P energy: -18.571
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -12.277
tors. eta vs tors. theta energy: -24.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -257.074951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.074951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.074951 (E_RNA)
where:
Base-Base interactions energy: -175.123
where: short stacking energy: -78.682
Base-Backbone interact. energy: -0.045
local terms energy: -81.907223
where:
bonds (distance) C4'-P energy: -11.706
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -17.190
flat angles P-C4'-P energy: -12.364
tors. eta vs tors. theta energy: -24.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -253.218923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.218923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.218923 (E_RNA)
where:
Base-Base interactions energy: -163.356
where: short stacking energy: -81.833
Base-Backbone interact. energy: -0.104
local terms energy: -89.759033
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -19.633
flat angles C4'-P-C4' energy: -18.294
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -26.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -255.813446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.813446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.813446 (E_RNA)
where:
Base-Base interactions energy: -171.160
where: short stacking energy: -77.474
Base-Backbone interact. energy: 0.071
local terms energy: -84.724537
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -16.088
flat angles C4'-P-C4' energy: -17.132
flat angles P-C4'-P energy: -14.663
tors. eta vs tors. theta energy: -24.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -237.258631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.258631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.258631 (E_RNA)
where:
Base-Base interactions energy: -146.650
where: short stacking energy: -64.860
Base-Backbone interact. energy: -0.422
local terms energy: -90.187250
where:
bonds (distance) C4'-P energy: -19.108
bonds (distance) P-C4' energy: -17.597
flat angles C4'-P-C4' energy: -19.213
flat angles P-C4'-P energy: -12.812
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: 4
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -221.786241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.786241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.786241 (E_RNA)
where:
Base-Base interactions energy: -147.252
where: short stacking energy: -69.584
Base-Backbone interact. energy: -0.000
local terms energy: -74.534152
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -23.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -101.482515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.482515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.482515 (E_RNA)
where:
Base-Base interactions energy: -30.523
where: short stacking energy: -30.523
Base-Backbone interact. energy: -0.117
local terms energy: -70.841940
where:
bonds (distance) C4'-P energy: -17.746
bonds (distance) P-C4' energy: -20.004
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -9.439
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: 8
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -100.754029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.754029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.754029 (E_RNA)
where:
Base-Base interactions energy: -46.166
where: short stacking energy: -44.373
Base-Backbone interact. energy: 0.195
local terms energy: -54.783354
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -18.021
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -3.511
tors. eta vs tors. theta energy: -8.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -87.221109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.221109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.221109 (E_RNA)
where:
Base-Base interactions energy: -35.966
where: short stacking energy: -16.496
Base-Backbone interact. energy: -0.821
local terms energy: -50.434674
where:
bonds (distance) C4'-P energy: -16.711
bonds (distance) P-C4' energy: -15.587
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -6.274
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: 7
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -84.373120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.373120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.373120 (E_RNA)
where:
Base-Base interactions energy: -38.781
where: short stacking energy: -33.947
Base-Backbone interact. energy: -0.090
local terms energy: -45.502221
where:
bonds (distance) C4'-P energy: -8.750
bonds (distance) P-C4' energy: -12.108
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -6.282
tors. eta vs tors. theta energy: -4.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -252.755783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.755783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.755783 (E_RNA)
where:
Base-Base interactions energy: -163.605
where: short stacking energy: -71.108
Base-Backbone interact. energy: -0.016
local terms energy: -89.134958
where:
bonds (distance) C4'-P energy: -17.623
bonds (distance) P-C4' energy: -18.838
flat angles C4'-P-C4' energy: -18.894
flat angles P-C4'-P energy: -12.494
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: 2, replica: 5
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -259.880887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.880887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.880887 (E_RNA)
where:
Base-Base interactions energy: -166.292
where: short stacking energy: -77.993
Base-Backbone interact. energy: -0.050
local terms energy: -93.539325
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -19.500
flat angles C4'-P-C4' energy: -17.884
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -27.875
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: 302
Temperature: 1.000000
Total energy: -254.947548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.947548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.947548 (E_RNA)
where:
Base-Base interactions energy: -163.321
where: short stacking energy: -77.698
Base-Backbone interact. energy: -0.006
local terms energy: -91.620377
where:
bonds (distance) C4'-P energy: -17.146
bonds (distance) P-C4' energy: -17.758
flat angles C4'-P-C4' energy: -17.454
flat angles P-C4'-P energy: -13.367
tors. eta vs tors. theta energy: -25.896
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: 4, replica: 9
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -249.335682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.335682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.335682 (E_RNA)
where:
Base-Base interactions energy: -165.247
where: short stacking energy: -69.831
Base-Backbone interact. energy: 1.131
local terms energy: -85.219805
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -17.450
flat angles P-C4'-P energy: -13.198
tors. eta vs tors. theta energy: -25.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -221.014281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.014281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.014281 (E_RNA)
where:
Base-Base interactions energy: -151.663
where: short stacking energy: -70.201
Base-Backbone interact. energy: -0.006
local terms energy: -69.345440
where:
bonds (distance) C4'-P energy: -6.963
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -17.879
flat angles P-C4'-P energy: -11.505
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: 6
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -243.157970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.157970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.157970 (E_RNA)
where:
Base-Base interactions energy: -151.054
where: short stacking energy: -77.018
Base-Backbone interact. energy: -0.293
local terms energy: -91.810414
where:
bonds (distance) C4'-P energy: -17.784
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -19.878
flat angles P-C4'-P energy: -14.198
tors. eta vs tors. theta energy: -23.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -108.102016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.102016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.102016 (E_RNA)
where:
Base-Base interactions energy: -46.208
where: short stacking energy: -33.274
Base-Backbone interact. energy: -1.389
local terms energy: -60.505140
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -7.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -96.261699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.261699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.261699 (E_RNA)
where:
Base-Base interactions energy: -42.810
where: short stacking energy: -37.110
Base-Backbone interact. energy: -0.012
local terms energy: -53.439290
where:
bonds (distance) C4'-P energy: -10.278
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -3.870
tors. eta vs tors. theta energy: -8.214
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: 9, replica: 7
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -86.061599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.061599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.061599 (E_RNA)
where:
Base-Base interactions energy: -29.391
where: short stacking energy: -29.576
Base-Backbone interact. energy: -0.052
local terms energy: -56.618746
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -18.745
flat angles C4'-P-C4' energy: -10.334
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -5.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -82.222293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.222293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.222293 (E_RNA)
where:
Base-Base interactions energy: -26.437
where: short stacking energy: -22.128
Base-Backbone interact. energy: -0.180
local terms energy: -55.605991
where:
bonds (distance) C4'-P energy: -16.975
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -7.323
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: 1, replica: 10
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -259.601805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.601805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.601805 (E_RNA)
where:
Base-Base interactions energy: -173.469
where: short stacking energy: -81.066
Base-Backbone interact. energy: -0.452
local terms energy: -85.681433
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -19.781
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -23.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -253.852542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.852542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.852542 (E_RNA)
where:
Base-Base interactions energy: -168.070
where: short stacking energy: -73.571
Base-Backbone interact. energy: -0.199
local terms energy: -85.584276
where:
bonds (distance) C4'-P energy: -17.874
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -11.875
tors. eta vs tors. theta energy: -21.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -250.847238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.847238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.847238 (E_RNA)
where:
Base-Base interactions energy: -164.452
where: short stacking energy: -75.572
Base-Backbone interact. energy: -0.414
local terms energy: -85.980979
where:
bonds (distance) C4'-P energy: -19.597
bonds (distance) P-C4' energy: -19.647
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -21.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -239.294869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.294869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.294869 (E_RNA)
where:
Base-Base interactions energy: -158.679
where: short stacking energy: -75.362
Base-Backbone interact. energy: -0.106
local terms energy: -80.509951
where:
bonds (distance) C4'-P energy: -9.724
bonds (distance) P-C4' energy: -19.341
flat angles C4'-P-C4' energy: -19.659
flat angles P-C4'-P energy: -11.807
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: 5, replica: 9
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -232.232632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.232632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.232632 (E_RNA)
where:
Base-Base interactions energy: -145.643
where: short stacking energy: -60.028
Base-Backbone interact. energy: -0.152
local terms energy: -86.437337
where:
bonds (distance) C4'-P energy: -19.382
bonds (distance) P-C4' energy: -17.720
flat angles C4'-P-C4' energy: -15.515
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -21.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -245.092435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.092435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.092435 (E_RNA)
where:
Base-Base interactions energy: -163.917
where: short stacking energy: -74.289
Base-Backbone interact. energy: -0.143
local terms energy: -81.032308
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -18.416
flat angles P-C4'-P energy: -11.059
tors. eta vs tors. theta energy: -21.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -104.083836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.083836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.083836 (E_RNA)
where:
Base-Base interactions energy: -43.001
where: short stacking energy: -43.001
Base-Backbone interact. energy: -0.073
local terms energy: -61.009220
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -8.753
flat angles P-C4'-P energy: -13.816
tors. eta vs tors. theta energy: -10.935
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: 303
Temperature: 1.250000
Total energy: -96.019272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.019272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.019272 (E_RNA)
where:
Base-Base interactions energy: -32.141
where: short stacking energy: -32.130
Base-Backbone interact. energy: -0.078
local terms energy: -63.799713
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -17.730
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -7.727
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: 1
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -91.498495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.498495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.498495 (E_RNA)
where:
Base-Base interactions energy: -42.395
where: short stacking energy: -39.968
Base-Backbone interact. energy: 2.000
local terms energy: -51.103252
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -10.043
flat angles C4'-P-C4' energy: -12.735
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -3.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -76.896000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.896000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.896000 (E_RNA)
where:
Base-Base interactions energy: -26.419
where: short stacking energy: -23.792
Base-Backbone interact. energy: 0.026
local terms energy: -50.503268
where:
bonds (distance) C4'-P energy: -10.171
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -7.710
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: 10
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -261.970493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.970493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.970493 (E_RNA)
where:
Base-Base interactions energy: -173.556
where: short stacking energy: -81.030
Base-Backbone interact. energy: -0.054
local terms energy: -88.360975
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -18.286
flat angles C4'-P-C4' energy: -17.612
flat angles P-C4'-P energy: -12.889
tors. eta vs tors. theta energy: -25.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -231.801223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.801223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.801223 (E_RNA)
where:
Base-Base interactions energy: -154.687
where: short stacking energy: -69.815
Base-Backbone interact. energy: -0.012
local terms energy: -77.102119
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -19.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -253.470239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.470239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.470239 (E_RNA)
where:
Base-Base interactions energy: -164.543
where: short stacking energy: -79.656
Base-Backbone interact. energy: -0.006
local terms energy: -88.921318
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -18.161
flat angles P-C4'-P energy: -13.062
tors. eta vs tors. theta energy: -24.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -233.113605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.113605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.113605 (E_RNA)
where:
Base-Base interactions energy: -150.387
where: short stacking energy: -67.423
Base-Backbone interact. energy: -0.028
local terms energy: -82.699128
where:
bonds (distance) C4'-P energy: -17.547
bonds (distance) P-C4' energy: -17.871
flat angles C4'-P-C4' energy: -18.494
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -18.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -242.666497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.666497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.666497 (E_RNA)
where:
Base-Base interactions energy: -154.510
where: short stacking energy: -67.297
Base-Backbone interact. energy: -0.001
local terms energy: -88.156216
where:
bonds (distance) C4'-P energy: -18.136
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -10.738
tors. eta vs tors. theta energy: -25.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -217.783541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.783541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.783541 (E_RNA)
where:
Base-Base interactions energy: -143.757
where: short stacking energy: -59.361
Base-Backbone interact. energy: -0.222
local terms energy: -73.805024
where:
bonds (distance) C4'-P energy: -19.157
bonds (distance) P-C4' energy: -18.372
flat angles C4'-P-C4' energy: -14.805
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -13.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -94.616708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.616708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.616708 (E_RNA)
where:
Base-Base interactions energy: -29.310
where: short stacking energy: -29.310
Base-Backbone interact. energy: -0.217
local terms energy: -65.090356
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -13.857
tors. eta vs tors. theta energy: -7.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -98.978153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.978153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.978153 (E_RNA)
where:
Base-Base interactions energy: -32.516
where: short stacking energy: -22.870
Base-Backbone interact. energy: -0.086
local terms energy: -66.375871
where:
bonds (distance) C4'-P energy: -16.068
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -19.003
flat angles P-C4'-P energy: -6.383
tors. eta vs tors. theta energy: -9.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -96.955264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.955264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.955264 (E_RNA)
where:
Base-Base interactions energy: -37.523
where: short stacking energy: -27.527
Base-Backbone interact. energy: 1.566
local terms energy: -60.998894
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -7.549
tors. eta vs tors. theta energy: -5.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -70.308208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.308208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.308208 (E_RNA)
where:
Base-Base interactions energy: -25.885
where: short stacking energy: -25.852
Base-Backbone interact. energy: -0.292
local terms energy: -44.131042
where:
bonds (distance) C4'-P energy: -6.755
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -11.907
tors. eta vs tors. theta energy: 4.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -265.234259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.234259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.234259 (E_RNA)
where:
Base-Base interactions energy: -170.141
where: short stacking energy: -74.355
Base-Backbone interact. energy: -0.002
local terms energy: -95.090851
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -17.353
flat angles C4'-P-C4' energy: -19.631
flat angles P-C4'-P energy: -15.909
tors. eta vs tors. theta energy: -25.826
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: 305
Temperature: 0.950000
Total energy: -265.590470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.590470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.590470 (E_RNA)
where:
Base-Base interactions energy: -173.429
where: short stacking energy: -77.630
Base-Backbone interact. energy: -0.070
local terms energy: -92.091002
where:
bonds (distance) C4'-P energy: -18.011
bonds (distance) P-C4' energy: -20.134
flat angles C4'-P-C4' energy: -19.113
flat angles P-C4'-P energy: -12.136
tors. eta vs tors. theta energy: -22.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -252.713967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.713967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.713967 (E_RNA)
where:
Base-Base interactions energy: -164.385
where: short stacking energy: -79.326
Base-Backbone interact. energy: -0.013
local terms energy: -88.316283
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -16.039
flat angles C4'-P-C4' energy: -18.268
flat angles P-C4'-P energy: -12.984
tors. eta vs tors. theta energy: -25.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -258.130142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.130142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.130142 (E_RNA)
where:
Base-Base interactions energy: -167.715
where: short stacking energy: -76.723
Base-Backbone interact. energy: -0.011
local terms energy: -90.403372
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -17.011
flat angles C4'-P-C4' energy: -20.797
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -23.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -245.785801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.785801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.785801 (E_RNA)
where:
Base-Base interactions energy: -158.145
where: short stacking energy: -81.127
Base-Backbone interact. energy: -0.012
local terms energy: -87.628293
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -19.458
flat angles P-C4'-P energy: -13.471
tors. eta vs tors. theta energy: -26.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -210.827961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.827961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.827961 (E_RNA)
where:
Base-Base interactions energy: -140.992
where: short stacking energy: -73.142
Base-Backbone interact. energy: -0.308
local terms energy: -69.527641
where:
bonds (distance) C4'-P energy: -3.611
bonds (distance) P-C4' energy: -20.014
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -8.616
tors. eta vs tors. theta energy: -21.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -94.343132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.343132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.343132 (E_RNA)
where:
Base-Base interactions energy: -36.802
where: short stacking energy: -26.592
Base-Backbone interact. energy: -0.421
local terms energy: -57.120095
where:
bonds (distance) C4'-P energy: -16.149
bonds (distance) P-C4' energy: -15.217
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -11.725
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: 8, replica: 3
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -115.401833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.401833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.401833 (E_RNA)
where:
Base-Base interactions energy: -58.766
where: short stacking energy: -26.375
Base-Backbone interact. energy: -1.456
local terms energy: -55.180224
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -7.319
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: 8
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -93.226337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.226337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.226337 (E_RNA)
where:
Base-Base interactions energy: -42.322
where: short stacking energy: -33.393
Base-Backbone interact. energy: -0.254
local terms energy: -50.650742
where:
bonds (distance) C4'-P energy: -10.446
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -12.440
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -1.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -85.558063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.558063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.558063 (E_RNA)
where:
Base-Base interactions energy: -35.090
where: short stacking energy: -30.561
Base-Backbone interact. energy: -0.175
local terms energy: -50.293389
where:
bonds (distance) C4'-P energy: -8.752
bonds (distance) P-C4' energy: -20.004
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -6.093
tors. eta vs tors. theta energy: -0.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -269.627265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.627265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.627265 (E_RNA)
where:
Base-Base interactions energy: -179.605
where: short stacking energy: -84.428
Base-Backbone interact. energy: -0.005
local terms energy: -90.016558
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -16.514
flat angles C4'-P-C4' energy: -17.398
flat angles P-C4'-P energy: -13.706
tors. eta vs tors. theta energy: -26.081
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: 4
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -251.822489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.822489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.822489 (E_RNA)
where:
Base-Base interactions energy: -160.946
where: short stacking energy: -72.719
Base-Backbone interact. energy: -0.099
local terms energy: -90.776831
where:
bonds (distance) C4'-P energy: -17.982
bonds (distance) P-C4' energy: -13.731
flat angles C4'-P-C4' energy: -21.319
flat angles P-C4'-P energy: -14.173
tors. eta vs tors. theta energy: -23.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -247.992573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.992573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.992573 (E_RNA)
where:
Base-Base interactions energy: -163.341
where: short stacking energy: -79.412
Base-Backbone interact. energy: -0.002
local terms energy: -84.648886
where:
bonds (distance) C4'-P energy: -16.973
bonds (distance) P-C4' energy: -18.681
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -25.322
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: 2
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -241.078035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.078035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.078035 (E_RNA)
where:
Base-Base interactions energy: -162.394
where: short stacking energy: -75.536
Base-Backbone interact. energy: -0.093
local terms energy: -78.591510
where:
bonds (distance) C4'-P energy: -10.302
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -17.450
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -23.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -248.036908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.036908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.036908 (E_RNA)
where:
Base-Base interactions energy: -159.649
where: short stacking energy: -75.447
Base-Backbone interact. energy: 0.344
local terms energy: -88.731980
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -19.768
flat angles C4'-P-C4' energy: -10.824
flat angles P-C4'-P energy: -15.909
tors. eta vs tors. theta energy: -25.142
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: 306
Temperature: 1.150000
Total energy: -247.543466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.543466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.543466 (E_RNA)
where:
Base-Base interactions energy: -162.223
where: short stacking energy: -76.713
Base-Backbone interact. energy: -0.158
local terms energy: -85.162194
where:
bonds (distance) C4'-P energy: -17.608
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -17.839
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -23.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -99.192824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.192824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.192824 (E_RNA)
where:
Base-Base interactions energy: -37.431
where: short stacking energy: -28.612
Base-Backbone interact. energy: -0.272
local terms energy: -61.490177
where:
bonds (distance) C4'-P energy: -18.888
bonds (distance) P-C4' energy: -16.412
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -13.403
tors. eta vs tors. theta energy: 3.074
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: 7
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -95.113029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.113029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.113029 (E_RNA)
where:
Base-Base interactions energy: -36.619
where: short stacking energy: -36.619
Base-Backbone interact. energy: -0.039
local terms energy: -58.455305
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -10.389
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -2.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -87.865179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.865179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.865179 (E_RNA)
where:
Base-Base interactions energy: -28.880
where: short stacking energy: -28.880
Base-Backbone interact. energy: -0.176
local terms energy: -58.809150
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -17.959
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -7.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -87.305459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.305459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.305459 (E_RNA)
where:
Base-Base interactions energy: -32.664
where: short stacking energy: -32.664
Base-Backbone interact. energy: -0.100
local terms energy: -54.540785
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -13.764
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -3.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -265.871638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.871638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.871638 (E_RNA)
where:
Base-Base interactions energy: -174.117
where: short stacking energy: -78.734
Base-Backbone interact. energy: -0.007
local terms energy: -91.747907
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -18.725
flat angles C4'-P-C4' energy: -16.822
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -26.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -255.640048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.640048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.640048 (E_RNA)
where:
Base-Base interactions energy: -161.306
where: short stacking energy: -84.853
Base-Backbone interact. energy: -0.051
local terms energy: -94.282434
where:
bonds (distance) C4'-P energy: -16.725
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -19.577
flat angles P-C4'-P energy: -14.453
tors. eta vs tors. theta energy: -25.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -258.297055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.297055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.297055 (E_RNA)
where:
Base-Base interactions energy: -166.957
where: short stacking energy: -75.600
Base-Backbone interact. energy: 0.622
local terms energy: -91.962588
where:
bonds (distance) C4'-P energy: -17.874
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -19.476
flat angles P-C4'-P energy: -12.566
tors. eta vs tors. theta energy: -27.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -245.697948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.697948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.697948 (E_RNA)
where:
Base-Base interactions energy: -151.097
where: short stacking energy: -67.686
Base-Backbone interact. energy: -1.089
local terms energy: -93.512147
where:
bonds (distance) C4'-P energy: -17.920
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -18.552
flat angles P-C4'-P energy: -15.563
tors. eta vs tors. theta energy: -22.823
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: 2
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -214.652058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.652058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.652058 (E_RNA)
where:
Base-Base interactions energy: -136.838
where: short stacking energy: -63.597
Base-Backbone interact. energy: -0.002
local terms energy: -77.812726
where:
bonds (distance) C4'-P energy: -18.339
bonds (distance) P-C4' energy: -19.331
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -7.892
tors. eta vs tors. theta energy: -17.504
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: 6
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -232.495489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.495489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.495489 (E_RNA)
where:
Base-Base interactions energy: -152.785
where: short stacking energy: -76.899
Base-Backbone interact. energy: -0.025
local terms energy: -79.685320
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -13.552
flat angles C4'-P-C4' energy: -18.114
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -20.807
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: 7, replica: 3
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -104.907597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.907597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.907597 (E_RNA)
where:
Base-Base interactions energy: -44.703
where: short stacking energy: -37.920
Base-Backbone interact. energy: -0.135
local terms energy: -60.069350
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -11.813
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -6.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -101.068840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.068840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.068840 (E_RNA)
where:
Base-Base interactions energy: -44.390
where: short stacking energy: -35.097
Base-Backbone interact. energy: -0.095
local terms energy: -56.584305
where:
bonds (distance) C4'-P energy: -3.923
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -18.102
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -9.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -89.546218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.546218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.546218 (E_RNA)
where:
Base-Base interactions energy: -37.385
where: short stacking energy: -23.382
Base-Backbone interact. energy: -0.181
local terms energy: -51.980151
where:
bonds (distance) C4'-P energy: -11.494
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -0.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -86.317471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.317471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.317471 (E_RNA)
where:
Base-Base interactions energy: -41.390
where: short stacking energy: -41.390
Base-Backbone interact. energy: -0.170
local terms energy: -44.757304
where:
bonds (distance) C4'-P energy: -11.800
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -10.317
flat angles P-C4'-P energy: -3.074
tors. eta vs tors. theta energy: -6.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -259.148322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.148322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.148322 (E_RNA)
where:
Base-Base interactions energy: -164.970
where: short stacking energy: -79.031
Base-Backbone interact. energy: -0.010
local terms energy: -94.167696
where:
bonds (distance) C4'-P energy: -16.657
bonds (distance) P-C4' energy: -19.971
flat angles C4'-P-C4' energy: -20.687
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -24.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -256.156271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.156271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.156271 (E_RNA)
where:
Base-Base interactions energy: -162.576
where: short stacking energy: -69.824
Base-Backbone interact. energy: -0.363
local terms energy: -93.217895
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -19.870
flat angles C4'-P-C4' energy: -18.681
flat angles P-C4'-P energy: -12.770
tors. eta vs tors. theta energy: -26.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -253.882136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.882136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.882136 (E_RNA)
where:
Base-Base interactions energy: -165.916
where: short stacking energy: -82.726
Base-Backbone interact. energy: -0.458
local terms energy: -87.508342
where:
bonds (distance) C4'-P energy: -16.406
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -16.137
flat angles P-C4'-P energy: -15.435
tors. eta vs tors. theta energy: -23.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -249.266047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.266047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.266047 (E_RNA)
where:
Base-Base interactions energy: -168.905
where: short stacking energy: -83.337
Base-Backbone interact. energy: -0.079
local terms energy: -80.281630
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -18.686
flat angles P-C4'-P energy: -6.945
tors. eta vs tors. theta energy: -25.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -216.643006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.643006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.643006 (E_RNA)
where:
Base-Base interactions energy: -134.455
where: short stacking energy: -66.180
Base-Backbone interact. energy: -0.285
local terms energy: -81.902392
where:
bonds (distance) C4'-P energy: -17.681
bonds (distance) P-C4' energy: -16.683
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -13.667
tors. eta vs tors. theta energy: -18.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -207.176689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.176689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.176689 (E_RNA)
where:
Base-Base interactions energy: -133.990
where: short stacking energy: -59.945
Base-Backbone interact. energy: -0.148
local terms energy: -73.039029
where:
bonds (distance) C4'-P energy: -13.810
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -16.593
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -17.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -94.341608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.341608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.341608 (E_RNA)
where:
Base-Base interactions energy: -30.128
where: short stacking energy: -29.579
Base-Backbone interact. energy: -0.722
local terms energy: -63.491805
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -19.672
flat angles C4'-P-C4' energy: -13.487
flat angles P-C4'-P energy: -9.060
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: 8, replica: 3
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -93.078491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.078491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.078491 (E_RNA)
where:
Base-Base interactions energy: -35.795
where: short stacking energy: -34.343
Base-Backbone interact. energy: -0.012
local terms energy: -57.270725
where:
bonds (distance) C4'-P energy: -7.466
bonds (distance) P-C4' energy: -19.761
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -7.325
tors. eta vs tors. theta energy: -5.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -92.124610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.124610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.124610 (E_RNA)
where:
Base-Base interactions energy: -41.555
where: short stacking energy: -32.358
Base-Backbone interact. energy: -0.325
local terms energy: -50.245242
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -17.402
flat angles C4'-P-C4' energy: -7.746
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -0.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -93.850597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.850597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.850597 (E_RNA)
where:
Base-Base interactions energy: -47.188
where: short stacking energy: -29.444
Base-Backbone interact. energy: -0.164
local terms energy: -46.498779
where:
bonds (distance) C4'-P energy: -15.028
bonds (distance) P-C4' energy: -11.706
flat angles C4'-P-C4' energy: -10.702
flat angles P-C4'-P energy: -7.795
tors. eta vs tors. theta energy: -1.267
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: 10
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -267.537481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.537481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.537481 (E_RNA)
where:
Base-Base interactions energy: -178.679
where: short stacking energy: -84.999
Base-Backbone interact. energy: -0.013
local terms energy: -88.845841
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -18.402
flat angles P-C4'-P energy: -14.452
tors. eta vs tors. theta energy: -26.740
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: 4
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -263.948354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.948354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.948354 (E_RNA)
where:
Base-Base interactions energy: -174.723
where: short stacking energy: -81.004
Base-Backbone interact. energy: 0.746
local terms energy: -89.971896
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -18.923
flat angles P-C4'-P energy: -14.081
tors. eta vs tors. theta energy: -25.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -249.206698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.206698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.206698 (E_RNA)
where:
Base-Base interactions energy: -166.112
where: short stacking energy: -77.327
Base-Backbone interact. energy: -1.257
local terms energy: -81.837253
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -9.291
flat angles C4'-P-C4' energy: -18.366
flat angles P-C4'-P energy: -14.347
tors. eta vs tors. theta energy: -25.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -249.853214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.853214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.853214 (E_RNA)
where:
Base-Base interactions energy: -160.599
where: short stacking energy: -80.163
Base-Backbone interact. energy: -0.007
local terms energy: -89.246877
where:
bonds (distance) C4'-P energy: -14.710
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -20.240
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: -25.539
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: 309
Temperature: 1.100000
Total energy: -212.740168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.740168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.740168 (E_RNA)
where:
Base-Base interactions energy: -135.300
where: short stacking energy: -62.518
Base-Backbone interact. energy: 0.866
local terms energy: -78.306863
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -14.155
tors. eta vs tors. theta energy: -16.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -209.293694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.293694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.293694 (E_RNA)
where:
Base-Base interactions energy: -131.955
where: short stacking energy: -54.548
Base-Backbone interact. energy: -0.008
local terms energy: -77.330530
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -12.412
tors. eta vs tors. theta energy: -18.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -97.871860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.871860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.871860 (E_RNA)
where:
Base-Base interactions energy: -37.874
where: short stacking energy: -34.002
Base-Backbone interact. energy: -0.126
local terms energy: -59.871049
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -15.911
flat angles C4'-P-C4' energy: -11.851
flat angles P-C4'-P energy: -12.503
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: 8, replica: 3
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -96.608878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.608878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.608878 (E_RNA)
where:
Base-Base interactions energy: -46.192
where: short stacking energy: -29.846
Base-Backbone interact. energy: -0.185
local terms energy: -50.231472
where:
bonds (distance) C4'-P energy: -10.831
bonds (distance) P-C4' energy: -10.763
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -3.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -92.741063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.741063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.741063 (E_RNA)
where:
Base-Base interactions energy: -38.331
where: short stacking energy: -33.016
Base-Backbone interact. energy: -0.035
local terms energy: -54.374732
where:
bonds (distance) C4'-P energy: -9.432
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -4.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -75.964624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.964624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.964624 (E_RNA)
where:
Base-Base interactions energy: -19.640
where: short stacking energy: -16.833
Base-Backbone interact. energy: 1.642
local terms energy: -57.966697
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -16.987
flat angles C4'-P-C4' energy: -16.219
flat angles P-C4'-P energy: -7.627
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: 1, replica: 4
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -263.848661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.848661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.848661 (E_RNA)
where:
Base-Base interactions energy: -175.064
where: short stacking energy: -82.918
Base-Backbone interact. energy: -0.003
local terms energy: -88.781706
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -17.201
flat angles C4'-P-C4' energy: -20.566
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: -27.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -259.428651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.428651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.428651 (E_RNA)
where:
Base-Base interactions energy: -170.579
where: short stacking energy: -78.656
Base-Backbone interact. energy: -0.015
local terms energy: -88.835163
where:
bonds (distance) C4'-P energy: -16.889
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -13.236
tors. eta vs tors. theta energy: -26.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -258.118413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.118413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.118413 (E_RNA)
where:
Base-Base interactions energy: -165.237
where: short stacking energy: -79.139
Base-Backbone interact. energy: 0.065
local terms energy: -92.946324
where:
bonds (distance) C4'-P energy: -18.871
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -20.551
flat angles P-C4'-P energy: -15.682
tors. eta vs tors. theta energy: -21.133
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: 9
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -241.275596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.275596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.275596 (E_RNA)
where:
Base-Base interactions energy: -157.359
where: short stacking energy: -74.372
Base-Backbone interact. energy: -0.031
local terms energy: -83.884874
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -18.487
flat angles P-C4'-P energy: -12.136
tors. eta vs tors. theta energy: -22.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -220.578094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.578094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.578094 (E_RNA)
where:
Base-Base interactions energy: -134.982
where: short stacking energy: -66.454
Base-Backbone interact. energy: -0.003
local terms energy: -85.593715
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -18.509
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -13.812
tors. eta vs tors. theta energy: -21.642
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: 6, replica: 6
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -226.208730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.208730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.208730 (E_RNA)
where:
Base-Base interactions energy: -140.381
where: short stacking energy: -59.719
Base-Backbone interact. energy: -0.838
local terms energy: -84.989809
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -23.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -107.153510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.153510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.153510 (E_RNA)
where:
Base-Base interactions energy: -52.758
where: short stacking energy: -35.112
Base-Backbone interact. energy: -0.082
local terms energy: -54.313083
where:
bonds (distance) C4'-P energy: -9.393
bonds (distance) P-C4' energy: -16.571
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: -5.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -95.613334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.613334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.613334 (E_RNA)
where:
Base-Base interactions energy: -34.989
where: short stacking energy: -34.989
Base-Backbone interact. energy: -0.004
local terms energy: -60.621151
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -13.960
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -14.236
tors. eta vs tors. theta energy: -4.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -90.727340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.727340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.727340 (E_RNA)
where:
Base-Base interactions energy: -36.710
where: short stacking energy: -22.736
Base-Backbone interact. energy: -0.175
local terms energy: -53.841683
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -14.724
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -1.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -77.403663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.403663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.403663 (E_RNA)
where:
Base-Base interactions energy: -22.018
where: short stacking energy: -17.081
Base-Backbone interact. energy: 0.520
local terms energy: -55.905136
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -19.891
flat angles C4'-P-C4' energy: -15.773
flat angles P-C4'-P energy: -5.102
tors. eta vs tors. theta energy: 0.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -267.960646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.960646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.960646 (E_RNA)
where:
Base-Base interactions energy: -174.389
where: short stacking energy: -85.114
Base-Backbone interact. energy: -0.042
local terms energy: -93.530084
where:
bonds (distance) C4'-P energy: -20.433
bonds (distance) P-C4' energy: -17.483
flat angles C4'-P-C4' energy: -19.845
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -26.116
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: 2, replica: 10
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -249.988232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.988232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.988232 (E_RNA)
where:
Base-Base interactions energy: -157.657
where: short stacking energy: -77.404
Base-Backbone interact. energy: -0.000
local terms energy: -92.330957
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -19.287
flat angles C4'-P-C4' energy: -19.730
flat angles P-C4'-P energy: -13.887
tors. eta vs tors. theta energy: -25.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -257.839452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.839452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.839452 (E_RNA)
where:
Base-Base interactions energy: -171.943
where: short stacking energy: -75.727
Base-Backbone interact. energy: 0.115
local terms energy: -86.012038
where:
bonds (distance) C4'-P energy: -16.220
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -17.718
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -24.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -253.219469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.219469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.219469 (E_RNA)
where:
Base-Base interactions energy: -168.394
where: short stacking energy: -83.876
Base-Backbone interact. energy: -0.036
local terms energy: -84.790237
where:
bonds (distance) C4'-P energy: -15.814
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -25.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -232.984577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.984577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.984577 (E_RNA)
where:
Base-Base interactions energy: -155.533
where: short stacking energy: -70.791
Base-Backbone interact. energy: -0.001
local terms energy: -77.450479
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -15.440
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -20.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -232.854108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.854108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.854108 (E_RNA)
where:
Base-Base interactions energy: -149.039
where: short stacking energy: -65.453
Base-Backbone interact. energy: 0.542
local terms energy: -84.357738
where:
bonds (distance) C4'-P energy: -18.943
bonds (distance) P-C4' energy: -19.102
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -20.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -104.700522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.700522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.700522 (E_RNA)
where:
Base-Base interactions energy: -50.991
where: short stacking energy: -26.381
Base-Backbone interact. energy: -0.410
local terms energy: -53.299901
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -16.144
flat angles C4'-P-C4' energy: -8.775
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -2.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -86.324103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.324103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.324103 (E_RNA)
where:
Base-Base interactions energy: -32.506
where: short stacking energy: -32.273
Base-Backbone interact. energy: -0.106
local terms energy: -53.712229
where:
bonds (distance) C4'-P energy: -9.900
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -16.678
flat angles P-C4'-P energy: -4.326
tors. eta vs tors. theta energy: -6.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -87.598893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.598893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.598893 (E_RNA)
where:
Base-Base interactions energy: -37.497
where: short stacking energy: -25.878
Base-Backbone interact. energy: -0.312
local terms energy: -49.790163
where:
bonds (distance) C4'-P energy: -13.935
bonds (distance) P-C4' energy: -13.049
flat angles C4'-P-C4' energy: -11.512
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -0.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -75.915980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.915980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.915980 (E_RNA)
where:
Base-Base interactions energy: -28.804
where: short stacking energy: -28.804
Base-Backbone interact. energy: -0.004
local terms energy: -47.107516
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -9.271
flat angles C4'-P-C4' energy: -18.134
flat angles P-C4'-P energy: -4.853
tors. eta vs tors. theta energy: -1.107
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: 312
Temperature: 0.900000
Total energy: -265.352348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.352348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.352348 (E_RNA)
where:
Base-Base interactions energy: -170.126
where: short stacking energy: -82.310
Base-Backbone interact. energy: -0.009
local terms energy: -95.217725
where:
bonds (distance) C4'-P energy: -18.615
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -20.511
flat angles P-C4'-P energy: -13.758
tors. eta vs tors. theta energy: -26.579
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: 10
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -254.734571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.734571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.734571 (E_RNA)
where:
Base-Base interactions energy: -169.477
where: short stacking energy: -80.728
Base-Backbone interact. energy: -0.013
local terms energy: -85.244630
where:
bonds (distance) C4'-P energy: -8.663
bonds (distance) P-C4' energy: -20.358
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -13.978
tors. eta vs tors. theta energy: -25.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -255.122999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.122999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.122999 (E_RNA)
where:
Base-Base interactions energy: -166.113
where: short stacking energy: -75.071
Base-Backbone interact. energy: -0.002
local terms energy: -89.008040
where:
bonds (distance) C4'-P energy: -17.973
bonds (distance) P-C4' energy: -18.534
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -12.735
tors. eta vs tors. theta energy: -25.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -249.771613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.771613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.771613 (E_RNA)
where:
Base-Base interactions energy: -161.379
where: short stacking energy: -80.750
Base-Backbone interact. energy: -0.001
local terms energy: -88.391166
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -20.567
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -27.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -230.745784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.745784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.745784 (E_RNA)
where:
Base-Base interactions energy: -158.071
where: short stacking energy: -69.302
Base-Backbone interact. energy: 0.427
local terms energy: -73.102393
where:
bonds (distance) C4'-P energy: -18.955
bonds (distance) P-C4' energy: -11.171
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -5.552
tors. eta vs tors. theta energy: -21.647
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: 6, replica: 6
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -244.418440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.418440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.418440 (E_RNA)
where:
Base-Base interactions energy: -159.996
where: short stacking energy: -76.999
Base-Backbone interact. energy: -0.501
local terms energy: -83.921230
where:
bonds (distance) C4'-P energy: -17.905
bonds (distance) P-C4' energy: -15.162
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -12.380
tors. eta vs tors. theta energy: -22.734
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: 8
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -102.722157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.722157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.722157 (E_RNA)
where:
Base-Base interactions energy: -46.165
where: short stacking energy: -35.561
Base-Backbone interact. energy: -0.133
local terms energy: -56.423500
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -16.152
flat angles P-C4'-P energy: -7.335
tors. eta vs tors. theta energy: -5.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -95.296938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.296938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.296938 (E_RNA)
where:
Base-Base interactions energy: -33.914
where: short stacking energy: -20.459
Base-Backbone interact. energy: -0.015
local terms energy: -61.367935
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -7.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -97.746402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.746402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.746402 (E_RNA)
where:
Base-Base interactions energy: -40.138
where: short stacking energy: -40.138
Base-Backbone interact. energy: 1.062
local terms energy: -58.670304
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -9.767
flat angles P-C4'-P energy: -11.717
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: 10, replica: 7
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -79.547660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.547660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.547660 (E_RNA)
where:
Base-Base interactions energy: -25.232
where: short stacking energy: -20.910
Base-Backbone interact. energy: 0.965
local terms energy: -55.280683
where:
bonds (distance) C4'-P energy: -16.358
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -17.359
flat angles P-C4'-P energy: -6.291
tors. eta vs tors. theta energy: 0.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -268.124607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.124607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.124607 (E_RNA)
where:
Base-Base interactions energy: -172.750
where: short stacking energy: -82.562
Base-Backbone interact. energy: -0.178
local terms energy: -95.196507
where:
bonds (distance) C4'-P energy: -16.657
bonds (distance) P-C4' energy: -19.603
flat angles C4'-P-C4' energy: -19.117
flat angles P-C4'-P energy: -13.709
tors. eta vs tors. theta energy: -26.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -260.993004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.993004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.993004 (E_RNA)
where:
Base-Base interactions energy: -174.321
where: short stacking energy: -81.193
Base-Backbone interact. energy: -0.093
local terms energy: -86.579007
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -18.440
flat angles P-C4'-P energy: -13.394
tors. eta vs tors. theta energy: -25.387
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: 10
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -249.516213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.516213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.516213 (E_RNA)
where:
Base-Base interactions energy: -162.776
where: short stacking energy: -76.877
Base-Backbone interact. energy: -0.640
local terms energy: -86.100826
where:
bonds (distance) C4'-P energy: -18.015
bonds (distance) P-C4' energy: -20.180
flat angles C4'-P-C4' energy: -10.527
flat angles P-C4'-P energy: -13.536
tors. eta vs tors. theta energy: -23.843
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: 5
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -259.985242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.985242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.985242 (E_RNA)
where:
Base-Base interactions energy: -167.064
where: short stacking energy: -76.399
Base-Backbone interact. energy: -0.128
local terms energy: -92.793104
where:
bonds (distance) C4'-P energy: -16.391
bonds (distance) P-C4' energy: -18.868
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -14.017
tors. eta vs tors. theta energy: -26.565
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: 313
Temperature: 1.100000
Total energy: -248.798668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.798668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.798668 (E_RNA)
where:
Base-Base interactions energy: -156.947
where: short stacking energy: -82.021
Base-Backbone interact. energy: -0.024
local terms energy: -91.827341
where:
bonds (distance) C4'-P energy: -18.233
bonds (distance) P-C4' energy: -15.779
flat angles C4'-P-C4' energy: -19.278
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -26.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -240.244306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.244306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.244306 (E_RNA)
where:
Base-Base interactions energy: -150.375
where: short stacking energy: -68.353
Base-Backbone interact. energy: -0.934
local terms energy: -88.935356
where:
bonds (distance) C4'-P energy: -18.699
bonds (distance) P-C4' energy: -19.994
flat angles C4'-P-C4' energy: -17.654
flat angles P-C4'-P energy: -12.929
tors. eta vs tors. theta energy: -19.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -116.293151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.293151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.293151 (E_RNA)
where:
Base-Base interactions energy: -59.895
where: short stacking energy: -39.119
Base-Backbone interact. energy: -0.420
local terms energy: -55.978430
where:
bonds (distance) C4'-P energy: -16.298
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -13.645
flat angles P-C4'-P energy: -7.109
tors. eta vs tors. theta energy: -3.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -85.479744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.479744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.479744 (E_RNA)
where:
Base-Base interactions energy: -33.682
where: short stacking energy: -32.507
Base-Backbone interact. energy: -0.130
local terms energy: -51.668436
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -6.518
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -5.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -83.387514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.387514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.387514 (E_RNA)
where:
Base-Base interactions energy: -28.902
where: short stacking energy: -28.902
Base-Backbone interact. energy: 0.790
local terms energy: -55.276081
where:
bonds (distance) C4'-P energy: -14.353
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -12.025
flat angles P-C4'-P energy: -10.853
tors. eta vs tors. theta energy: -2.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -82.948731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.948731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.948731 (E_RNA)
where:
Base-Base interactions energy: -24.191
where: short stacking energy: -18.963
Base-Backbone interact. energy: -0.170
local terms energy: -58.588335
where:
bonds (distance) C4'-P energy: -15.104
bonds (distance) P-C4' energy: -13.838
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -2.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -259.602316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.602316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.602316 (E_RNA)
where:
Base-Base interactions energy: -163.239
where: short stacking energy: -79.010
Base-Backbone interact. energy: -0.082
local terms energy: -96.281160
where:
bonds (distance) C4'-P energy: -18.569
bonds (distance) P-C4' energy: -17.519
flat angles C4'-P-C4' energy: -18.287
flat angles P-C4'-P energy: -14.932
tors. eta vs tors. theta energy: -26.974
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: 4
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -261.012495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.012495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.012495 (E_RNA)
where:
Base-Base interactions energy: -173.157
where: short stacking energy: -78.249
Base-Backbone interact. energy: 0.050
local terms energy: -87.905721
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -18.936
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -25.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -253.349901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.349901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.349901 (E_RNA)
where:
Base-Base interactions energy: -172.053
where: short stacking energy: -82.839
Base-Backbone interact. energy: -0.007
local terms energy: -81.289446
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -18.523
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -23.482
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: 5
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -248.192994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.192994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.192994 (E_RNA)
where:
Base-Base interactions energy: -166.379
where: short stacking energy: -70.733
Base-Backbone interact. energy: -0.022
local terms energy: -81.791782
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -17.961
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -11.941
tors. eta vs tors. theta energy: -20.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -255.191334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.191334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.191334 (E_RNA)
where:
Base-Base interactions energy: -169.129
where: short stacking energy: -81.024
Base-Backbone interact. energy: -0.832
local terms energy: -85.229963
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -25.842
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: 6
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -229.164515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.164515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.164515 (E_RNA)
where:
Base-Base interactions energy: -143.637
where: short stacking energy: -65.925
Base-Backbone interact. energy: -0.119
local terms energy: -85.408604
where:
bonds (distance) C4'-P energy: -16.265
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -16.314
flat angles P-C4'-P energy: -12.945
tors. eta vs tors. theta energy: -24.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -124.693753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.693753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.693753 (E_RNA)
where:
Base-Base interactions energy: -63.936
where: short stacking energy: -28.933
Base-Backbone interact. energy: -0.107
local terms energy: -60.651176
where:
bonds (distance) C4'-P energy: -16.882
bonds (distance) P-C4' energy: -16.212
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -7.830
tors. eta vs tors. theta energy: -7.787
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: 1
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -81.760825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.760825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.760825 (E_RNA)
where:
Base-Base interactions energy: -31.653
where: short stacking energy: -30.787
Base-Backbone interact. energy: -0.288
local terms energy: -49.820032
where:
bonds (distance) C4'-P energy: -11.653
bonds (distance) P-C4' energy: -12.273
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -2.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -85.261619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.261619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.261619 (E_RNA)
where:
Base-Base interactions energy: -35.272
where: short stacking energy: -35.272
Base-Backbone interact. energy: -0.186
local terms energy: -49.804392
where:
bonds (distance) C4'-P energy: -8.879
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -8.370
tors. eta vs tors. theta energy: -1.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -79.941442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.941442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.941442 (E_RNA)
where:
Base-Base interactions energy: -31.395
where: short stacking energy: -13.672
Base-Backbone interact. energy: -0.713
local terms energy: -47.833333
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -10.491
flat angles P-C4'-P energy: -6.406
tors. eta vs tors. theta energy: 1.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -257.649643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.649643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.649643 (E_RNA)
where:
Base-Base interactions energy: -169.092
where: short stacking energy: -81.438
Base-Backbone interact. energy: -0.003
local terms energy: -88.554719
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -18.809
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -24.844
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: 4
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -264.028779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.028779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.028779 (E_RNA)
where:
Base-Base interactions energy: -178.192
where: short stacking energy: -80.192
Base-Backbone interact. energy: -0.004
local terms energy: -85.832876
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -17.014
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -12.086
tors. eta vs tors. theta energy: -25.495
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: 10
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -256.399501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.399501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.399501 (E_RNA)
where:
Base-Base interactions energy: -164.619
where: short stacking energy: -73.987
Base-Backbone interact. energy: -0.029
local terms energy: -91.751626
where:
bonds (distance) C4'-P energy: -15.975
bonds (distance) P-C4' energy: -19.002
flat angles C4'-P-C4' energy: -16.280
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: -27.148
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: 315
Temperature: 1.050000
Total energy: -254.191508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.191508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.191508 (E_RNA)
where:
Base-Base interactions energy: -167.114
where: short stacking energy: -72.905
Base-Backbone interact. energy: -0.142
local terms energy: -86.935211
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -14.959
tors. eta vs tors. theta energy: -23.008
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: 5
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -211.364531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.364531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.364531 (E_RNA)
where:
Base-Base interactions energy: -137.912
where: short stacking energy: -63.434
Base-Backbone interact. energy: -0.050
local terms energy: -73.402162
where:
bonds (distance) C4'-P energy: -13.559
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -5.838
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: 6, replica: 6
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -213.715751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.715751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.715751 (E_RNA)
where:
Base-Base interactions energy: -141.300
where: short stacking energy: -59.462
Base-Backbone interact. energy: -0.152
local terms energy: -72.263792
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -11.624
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -14.724
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: 7, replica: 8
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -107.667909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.667909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.667909 (E_RNA)
where:
Base-Base interactions energy: -46.753
where: short stacking energy: -30.039
Base-Backbone interact. energy: -0.095
local terms energy: -60.820148
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -14.492
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -11.941
tors. eta vs tors. theta energy: -3.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -93.332027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.332027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.332027 (E_RNA)
where:
Base-Base interactions energy: -32.594
where: short stacking energy: -23.073
Base-Backbone interact. energy: 0.158
local terms energy: -60.895970
where:
bonds (distance) C4'-P energy: -16.953
bonds (distance) P-C4' energy: -12.260
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -6.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -88.545505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.545505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.545505 (E_RNA)
where:
Base-Base interactions energy: -34.868
where: short stacking energy: -32.227
Base-Backbone interact. energy: -0.086
local terms energy: -53.590611
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -3.869
tors. eta vs tors. theta energy: -5.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -79.408199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.408199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.408199 (E_RNA)
where:
Base-Base interactions energy: -30.671
where: short stacking energy: -27.122
Base-Backbone interact. energy: -0.444
local terms energy: -48.292885
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -10.560
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -1.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -265.327205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.327205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.327205 (E_RNA)
where:
Base-Base interactions energy: -176.820
where: short stacking energy: -81.129
Base-Backbone interact. energy: -0.438
local terms energy: -88.069302
where:
bonds (distance) C4'-P energy: -16.598
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -14.113
tors. eta vs tors. theta energy: -24.722
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: 2
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -254.047320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.047320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.047320 (E_RNA)
where:
Base-Base interactions energy: -169.495
where: short stacking energy: -80.977
Base-Backbone interact. energy: -1.818
local terms energy: -82.734426
where:
bonds (distance) C4'-P energy: -15.882
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -16.734
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: -22.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -250.002340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.002340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.002340 (E_RNA)
where:
Base-Base interactions energy: -162.474
where: short stacking energy: -76.210
Base-Backbone interact. energy: -0.031
local terms energy: -87.497360
where:
bonds (distance) C4'-P energy: -16.889
bonds (distance) P-C4' energy: -19.936
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -10.271
tors. eta vs tors. theta energy: -24.354
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: 9
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -244.579669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.579669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.579669 (E_RNA)
where:
Base-Base interactions energy: -167.711
where: short stacking energy: -80.646
Base-Backbone interact. energy: -0.064
local terms energy: -76.804651
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -15.483
flat angles P-C4'-P energy: -11.230
tors. eta vs tors. theta energy: -23.256
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: 5
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -214.280547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.280547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.280547 (E_RNA)
where:
Base-Base interactions energy: -132.030
where: short stacking energy: -53.373
Base-Backbone interact. energy: -0.037
local terms energy: -82.213547
where:
bonds (distance) C4'-P energy: -16.414
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -12.950
flat angles P-C4'-P energy: -16.041
tors. eta vs tors. theta energy: -21.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -212.252968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.252968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.252968 (E_RNA)
where:
Base-Base interactions energy: -136.560
where: short stacking energy: -67.901
Base-Backbone interact. energy: -0.054
local terms energy: -75.638913
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -12.217
flat angles C4'-P-C4' energy: -17.367
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -19.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -107.089902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.089902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.089902 (E_RNA)
where:
Base-Base interactions energy: -44.686
where: short stacking energy: -31.676
Base-Backbone interact. energy: -0.273
local terms energy: -62.131095
where:
bonds (distance) C4'-P energy: -16.532
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -12.811
tors. eta vs tors. theta energy: -1.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -102.087423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.087423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.087423 (E_RNA)
where:
Base-Base interactions energy: -34.347
where: short stacking energy: -34.347
Base-Backbone interact. energy: -0.135
local terms energy: -67.605754
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -17.584
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -11.365
tors. eta vs tors. theta energy: -8.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -87.108019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.108019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.108019 (E_RNA)
where:
Base-Base interactions energy: -29.078
where: short stacking energy: -27.527
Base-Backbone interact. energy: -1.315
local terms energy: -56.714923
where:
bonds (distance) C4'-P energy: -10.613
bonds (distance) P-C4' energy: -13.767
flat angles C4'-P-C4' energy: -17.056
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: -5.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -82.822880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.822880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.822880 (E_RNA)
where:
Base-Base interactions energy: -29.625
where: short stacking energy: -26.113
Base-Backbone interact. energy: -0.171
local terms energy: -53.026597
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -3.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -263.336779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.336779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.336779 (E_RNA)
where:
Base-Base interactions energy: -177.631
where: short stacking energy: -84.298
Base-Backbone interact. energy: -0.017
local terms energy: -85.688833
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -15.704
flat angles C4'-P-C4' energy: -18.607
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -26.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -265.165994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.165994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.165994 (E_RNA)
where:
Base-Base interactions energy: -176.478
where: short stacking energy: -90.749
Base-Backbone interact. energy: 0.613
local terms energy: -89.301908
where:
bonds (distance) C4'-P energy: -18.147
bonds (distance) P-C4' energy: -16.835
flat angles C4'-P-C4' energy: -16.971
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: -25.893
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: 10
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -257.091065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.091065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.091065 (E_RNA)
where:
Base-Base interactions energy: -169.040
where: short stacking energy: -77.118
Base-Backbone interact. energy: -0.011
local terms energy: -88.040386
where:
bonds (distance) C4'-P energy: -19.833
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -17.635
flat angles P-C4'-P energy: -12.515
tors. eta vs tors. theta energy: -23.044
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: 5
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -245.906772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.906772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.906772 (E_RNA)
where:
Base-Base interactions energy: -158.091
where: short stacking energy: -82.292
Base-Backbone interact. energy: -0.077
local terms energy: -87.738490
where:
bonds (distance) C4'-P energy: -17.320
bonds (distance) P-C4' energy: -16.972
flat angles C4'-P-C4' energy: -18.044
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -23.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -216.312086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.312086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.312086 (E_RNA)
where:
Base-Base interactions energy: -140.222
where: short stacking energy: -76.334
Base-Backbone interact. energy: -0.011
local terms energy: -76.078793
where:
bonds (distance) C4'-P energy: -10.083
bonds (distance) P-C4' energy: -18.430
flat angles C4'-P-C4' energy: -19.476
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: -19.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -209.649457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.649457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.649457 (E_RNA)
where:
Base-Base interactions energy: -130.670
where: short stacking energy: -62.522
Base-Backbone interact. energy: -0.009
local terms energy: -78.970481
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: -20.648
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: 7
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -133.215752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.215752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.215752 (E_RNA)
where:
Base-Base interactions energy: -79.624
where: short stacking energy: -43.433
Base-Backbone interact. energy: 3.454
local terms energy: -57.045522
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -11.112
flat angles P-C4'-P energy: -12.241
tors. eta vs tors. theta energy: -7.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -107.540981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.540981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.540981 (E_RNA)
where:
Base-Base interactions energy: -47.165
where: short stacking energy: -43.509
Base-Backbone interact. energy: -0.143
local terms energy: -60.232570
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -11.264
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -11.070
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: 8
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -90.838019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.838019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.838019 (E_RNA)
where:
Base-Base interactions energy: -28.831
where: short stacking energy: -23.909
Base-Backbone interact. energy: -0.002
local terms energy: -62.004831
where:
bonds (distance) C4'-P energy: -18.519
bonds (distance) P-C4' energy: -18.520
flat angles C4'-P-C4' energy: -10.686
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -4.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -81.563342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.563342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.563342 (E_RNA)
where:
Base-Base interactions energy: -19.549
where: short stacking energy: -18.973
Base-Backbone interact. energy: -0.188
local terms energy: -61.826639
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -13.826
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -12.942
tors. eta vs tors. theta energy: -4.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -271.363841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.363841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.363841 (E_RNA)
where:
Base-Base interactions energy: -176.320
where: short stacking energy: -83.417
Base-Backbone interact. energy: -0.104
local terms energy: -94.939889
where:
bonds (distance) C4'-P energy: -16.186
bonds (distance) P-C4' energy: -21.371
flat angles C4'-P-C4' energy: -18.482
flat angles P-C4'-P energy: -12.596
tors. eta vs tors. theta energy: -26.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -256.699842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.699842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.699842 (E_RNA)
where:
Base-Base interactions energy: -166.194
where: short stacking energy: -84.232
Base-Backbone interact. energy: -0.042
local terms energy: -90.464039
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -17.483
flat angles P-C4'-P energy: -13.942
tors. eta vs tors. theta energy: -24.997
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: 5
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -253.941928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.941928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.941928 (E_RNA)
where:
Base-Base interactions energy: -169.072
where: short stacking energy: -77.711
Base-Backbone interact. energy: -0.026
local terms energy: -84.843243
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -27.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -241.599877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.599877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.599877 (E_RNA)
where:
Base-Base interactions energy: -155.125
where: short stacking energy: -76.065
Base-Backbone interact. energy: -0.051
local terms energy: -86.423955
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -14.979
flat angles C4'-P-C4' energy: -18.841
flat angles P-C4'-P energy: -13.726
tors. eta vs tors. theta energy: -23.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -232.863514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.863514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.863514 (E_RNA)
where:
Base-Base interactions energy: -152.645
where: short stacking energy: -64.851
Base-Backbone interact. energy: -0.036
local terms energy: -80.183286
where:
bonds (distance) C4'-P energy: -17.023
bonds (distance) P-C4' energy: -11.850
flat angles C4'-P-C4' energy: -17.955
flat angles P-C4'-P energy: -14.448
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: 6, replica: 9
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -206.906987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.906987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.906987 (E_RNA)
where:
Base-Base interactions energy: -128.942
where: short stacking energy: -62.542
Base-Backbone interact. energy: -0.228
local terms energy: -77.736591
where:
bonds (distance) C4'-P energy: -18.329
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -19.980
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -13.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -111.847996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.847996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.847996 (E_RNA)
where:
Base-Base interactions energy: -45.663
where: short stacking energy: -45.247
Base-Backbone interact. energy: -0.110
local terms energy: -66.074912
where:
bonds (distance) C4'-P energy: -16.623
bonds (distance) P-C4' energy: -13.146
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -11.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -138.675202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.675202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.675202 (E_RNA)
where:
Base-Base interactions energy: -77.964
where: short stacking energy: -40.087
Base-Backbone interact. energy: -0.200
local terms energy: -60.510669
where:
bonds (distance) C4'-P energy: -13.096
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -5.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -88.712066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.712066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.712066 (E_RNA)
where:
Base-Base interactions energy: -32.298
where: short stacking energy: -31.506
Base-Backbone interact. energy: -0.161
local terms energy: -56.252865
where:
bonds (distance) C4'-P energy: -18.396
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -12.177
flat angles P-C4'-P energy: -8.311
tors. eta vs tors. theta energy: -0.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -80.563937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.563937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.563937 (E_RNA)
where:
Base-Base interactions energy: -31.896
where: short stacking energy: -31.243
Base-Backbone interact. energy: -0.209
local terms energy: -48.459055
where:
bonds (distance) C4'-P energy: -11.193
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: 0.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -265.586982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.586982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.586982 (E_RNA)
where:
Base-Base interactions energy: -167.954
where: short stacking energy: -79.727
Base-Backbone interact. energy: -0.002
local terms energy: -97.631464
where:
bonds (distance) C4'-P energy: -18.069
bonds (distance) P-C4' energy: -18.991
flat angles C4'-P-C4' energy: -18.482
flat angles P-C4'-P energy: -15.296
tors. eta vs tors. theta energy: -26.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -262.007208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.007208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.007208 (E_RNA)
where:
Base-Base interactions energy: -174.346
where: short stacking energy: -77.326
Base-Backbone interact. energy: -0.045
local terms energy: -87.616050
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -19.828
flat angles P-C4'-P energy: -12.905
tors. eta vs tors. theta energy: -26.389
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: 319
Temperature: 1.000000
Total energy: -249.707564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.707564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.707564 (E_RNA)
where:
Base-Base interactions energy: -160.619
where: short stacking energy: -81.820
Base-Backbone interact. energy: 1.293
local terms energy: -90.381708
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -18.114
flat angles C4'-P-C4' energy: -16.650
flat angles P-C4'-P energy: -16.347
tors. eta vs tors. theta energy: -24.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -235.774442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.774442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.774442 (E_RNA)
where:
Base-Base interactions energy: -146.088
where: short stacking energy: -70.076
Base-Backbone interact. energy: -0.611
local terms energy: -89.075407
where:
bonds (distance) C4'-P energy: -19.442
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: -23.319
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: 6
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -223.914335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.914335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.914335 (E_RNA)
where:
Base-Base interactions energy: -141.262
where: short stacking energy: -68.861
Base-Backbone interact. energy: -0.093
local terms energy: -82.559631
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -18.314
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -15.869
tors. eta vs tors. theta energy: -21.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -203.713426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.713426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.713426 (E_RNA)
where:
Base-Base interactions energy: -131.655
where: short stacking energy: -62.997
Base-Backbone interact. energy: -0.123
local terms energy: -71.936042
where:
bonds (distance) C4'-P energy: -15.640
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -10.713
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: 7, replica: 3
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -112.601501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.601501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.601501 (E_RNA)
where:
Base-Base interactions energy: -54.438
where: short stacking energy: -45.762
Base-Backbone interact. energy: -0.193
local terms energy: -57.971102
where:
bonds (distance) C4'-P energy: -11.543
bonds (distance) P-C4' energy: -14.844
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -5.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -99.896147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.896147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.896147 (E_RNA)
where:
Base-Base interactions energy: -44.755
where: short stacking energy: -33.261
Base-Backbone interact. energy: -0.326
local terms energy: -54.815139
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -13.513
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -7.348
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: 9, replica: 1
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -84.645253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.645253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.645253 (E_RNA)
where:
Base-Base interactions energy: -20.035
where: short stacking energy: -20.035
Base-Backbone interact. energy: -0.114
local terms energy: -64.495956
where:
bonds (distance) C4'-P energy: -17.498
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -17.484
flat angles P-C4'-P energy: -11.836
tors. eta vs tors. theta energy: -1.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -75.357022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.357022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.357022 (E_RNA)
where:
Base-Base interactions energy: -26.145
where: short stacking energy: -26.145
Base-Backbone interact. energy: -0.512
local terms energy: -48.700860
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: 6.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -266.809815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.809815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.809815 (E_RNA)
where:
Base-Base interactions energy: -174.699
where: short stacking energy: -85.624
Base-Backbone interact. energy: -0.029
local terms energy: -92.081628
where:
bonds (distance) C4'-P energy: -16.999
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -18.621
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -27.123
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: 5
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -256.776490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.776490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.776490 (E_RNA)
where:
Base-Base interactions energy: -169.980
where: short stacking energy: -80.648
Base-Backbone interact. energy: -0.060
local terms energy: -86.736926
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -19.179
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -11.860
tors. eta vs tors. theta energy: -24.940
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: 10
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -247.593459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.593459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.593459 (E_RNA)
where:
Base-Base interactions energy: -164.615
where: short stacking energy: -85.866
Base-Backbone interact. energy: -0.150
local terms energy: -82.827848
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -17.718
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -21.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -241.064712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.064712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.064712 (E_RNA)
where:
Base-Base interactions energy: -156.713
where: short stacking energy: -77.839
Base-Backbone interact. energy: -0.035
local terms energy: -84.317261
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -15.843
tors. eta vs tors. theta energy: -21.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -238.624674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.624674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.624674 (E_RNA)
where:
Base-Base interactions energy: -167.136
where: short stacking energy: -76.826
Base-Backbone interact. energy: -0.214
local terms energy: -71.274274
where:
bonds (distance) C4'-P energy: -9.428
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -11.134
tors. eta vs tors. theta energy: -24.685
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: 9
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -221.695746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.695746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.695746 (E_RNA)
where:
Base-Base interactions energy: -144.615
where: short stacking energy: -68.430
Base-Backbone interact. energy: -0.635
local terms energy: -76.445017
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -9.494
flat angles C4'-P-C4' energy: -19.929
flat angles P-C4'-P energy: -12.728
tors. eta vs tors. theta energy: -17.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -110.412856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.412856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.412856 (E_RNA)
where:
Base-Base interactions energy: -43.958
where: short stacking energy: -43.958
Base-Backbone interact. energy: -0.127
local terms energy: -66.327847
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -14.283
tors. eta vs tors. theta energy: -7.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -96.811239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.811239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.811239 (E_RNA)
where:
Base-Base interactions energy: -36.533
where: short stacking energy: -36.533
Base-Backbone interact. energy: 1.450
local terms energy: -61.728496
where:
bonds (distance) C4'-P energy: -18.109
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -13.844
flat angles P-C4'-P energy: -6.208
tors. eta vs tors. theta energy: -7.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -86.591714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.591714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.591714 (E_RNA)
where:
Base-Base interactions energy: -34.588
where: short stacking energy: -25.187
Base-Backbone interact. energy: -0.331
local terms energy: -51.672585
where:
bonds (distance) C4'-P energy: -18.288
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -12.022
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: 3.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -87.803861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.803861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.803861 (E_RNA)
where:
Base-Base interactions energy: -31.715
where: short stacking energy: -31.715
Base-Backbone interact. energy: 0.644
local terms energy: -56.733507
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -11.159
flat angles P-C4'-P energy: -12.138
tors. eta vs tors. theta energy: -3.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -263.822034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.822034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.822034 (E_RNA)
where:
Base-Base interactions energy: -175.796
where: short stacking energy: -83.756
Base-Backbone interact. energy: -0.437
local terms energy: -87.588727
where:
bonds (distance) C4'-P energy: -18.341
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -18.195
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -21.979
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: 5
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -255.829237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.829237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.829237 (E_RNA)
where:
Base-Base interactions energy: -170.683
where: short stacking energy: -80.832
Base-Backbone interact. energy: -0.084
local terms energy: -85.061841
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -17.586
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -25.844
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: 10
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -240.936650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.936650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.936650 (E_RNA)
where:
Base-Base interactions energy: -164.368
where: short stacking energy: -76.355
Base-Backbone interact. energy: -0.080
local terms energy: -76.488816
where:
bonds (distance) C4'-P energy: -8.136
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -16.878
flat angles P-C4'-P energy: -11.961
tors. eta vs tors. theta energy: -23.241
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: 6
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -248.486525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.486525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.486525 (E_RNA)
where:
Base-Base interactions energy: -162.138
where: short stacking energy: -70.718
Base-Backbone interact. energy: -0.272
local terms energy: -86.076110
where:
bonds (distance) C4'-P energy: -17.965
bonds (distance) P-C4' energy: -14.168
flat angles C4'-P-C4' energy: -17.978
flat angles P-C4'-P energy: -12.410
tors. eta vs tors. theta energy: -23.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -234.942116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.942116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.942116 (E_RNA)
where:
Base-Base interactions energy: -151.599
where: short stacking energy: -67.003
Base-Backbone interact. energy: -0.693
local terms energy: -82.650364
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -14.190
tors. eta vs tors. theta energy: -20.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -226.669689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.669689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.669689 (E_RNA)
where:
Base-Base interactions energy: -149.837
where: short stacking energy: -64.090
Base-Backbone interact. energy: -0.692
local terms energy: -76.141217
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -17.429
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -20.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -98.352556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.352556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.352556 (E_RNA)
where:
Base-Base interactions energy: -38.079
where: short stacking energy: -32.821
Base-Backbone interact. energy: -0.171
local terms energy: -60.102205
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -15.597
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -0.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -105.505386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.505386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.505386 (E_RNA)
where:
Base-Base interactions energy: -39.426
where: short stacking energy: -35.721
Base-Backbone interact. energy: -0.096
local terms energy: -65.984047
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -14.805
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -13.623
tors. eta vs tors. theta energy: -7.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -86.772355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.772355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.772355 (E_RNA)
where:
Base-Base interactions energy: -42.746
where: short stacking energy: -20.321
Base-Backbone interact. energy: -0.561
local terms energy: -43.465515
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -4.686
tors. eta vs tors. theta energy: -0.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -77.208715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.208715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.208715 (E_RNA)
where:
Base-Base interactions energy: -37.385
where: short stacking energy: -31.062
Base-Backbone interact. energy: -0.760
local terms energy: -39.063741
where:
bonds (distance) C4'-P energy: -9.288
bonds (distance) P-C4' energy: -9.999
flat angles C4'-P-C4' energy: -9.129
flat angles P-C4'-P energy: -3.205
tors. eta vs tors. theta energy: -7.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -260.798961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.798961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.798961 (E_RNA)
where:
Base-Base interactions energy: -171.117
where: short stacking energy: -76.734
Base-Backbone interact. energy: -0.084
local terms energy: -89.597750
where:
bonds (distance) C4'-P energy: -18.229
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -17.754
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -27.569
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: 2, replica: 5
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -258.647779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.647779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.647779 (E_RNA)
where:
Base-Base interactions energy: -168.822
where: short stacking energy: -79.639
Base-Backbone interact. energy: -0.002
local terms energy: -89.824367
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -21.755
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: -26.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -246.358962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.358962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.358962 (E_RNA)
where:
Base-Base interactions energy: -156.601
where: short stacking energy: -76.421
Base-Backbone interact. energy: -0.434
local terms energy: -89.323542
where:
bonds (distance) C4'-P energy: -18.835
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -25.401
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: 10
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -258.051531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.051531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.051531 (E_RNA)
where:
Base-Base interactions energy: -170.151
where: short stacking energy: -83.449
Base-Backbone interact. energy: -0.001
local terms energy: -87.899610
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -17.424
flat angles P-C4'-P energy: -12.557
tors. eta vs tors. theta energy: -26.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -232.973674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.973674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.973674 (E_RNA)
where:
Base-Base interactions energy: -155.409
where: short stacking energy: -65.065
Base-Backbone interact. energy: -0.390
local terms energy: -77.174798
where:
bonds (distance) C4'-P energy: -18.780
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -9.318
flat angles P-C4'-P energy: -13.650
tors. eta vs tors. theta energy: -21.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -219.214912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.214912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.214912 (E_RNA)
where:
Base-Base interactions energy: -141.245
where: short stacking energy: -65.610
Base-Backbone interact. energy: -0.209
local terms energy: -77.760614
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -17.592
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: -21.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -102.682462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.682462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.682462 (E_RNA)
where:
Base-Base interactions energy: -35.764
where: short stacking energy: -33.459
Base-Backbone interact. energy: -0.094
local terms energy: -66.824844
where:
bonds (distance) C4'-P energy: -16.546
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -13.477
tors. eta vs tors. theta energy: -6.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -95.613182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.613182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.613182 (E_RNA)
where:
Base-Base interactions energy: -34.638
where: short stacking energy: -27.405
Base-Backbone interact. energy: -0.215
local terms energy: -60.759788
where:
bonds (distance) C4'-P energy: -18.482
bonds (distance) P-C4' energy: -18.298
flat angles C4'-P-C4' energy: -16.892
flat angles P-C4'-P energy: -10.543
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: 9, replica: 1
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -89.215439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.215439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.215439 (E_RNA)
where:
Base-Base interactions energy: -34.560
where: short stacking energy: -26.480
Base-Backbone interact. energy: -0.472
local terms energy: -54.183393
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -17.049
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -4.087
tors. eta vs tors. theta energy: -7.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -89.059403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.059403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.059403 (E_RNA)
where:
Base-Base interactions energy: -32.512
where: short stacking energy: -32.512
Base-Backbone interact. energy: -0.225
local terms energy: -56.322696
where:
bonds (distance) C4'-P energy: -16.872
bonds (distance) P-C4' energy: -15.313
flat angles C4'-P-C4' energy: -10.469
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: -2.706
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: 1, replica: 2
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -267.189679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.189679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.189679 (E_RNA)
where:
Base-Base interactions energy: -169.763
where: short stacking energy: -78.665
Base-Backbone interact. energy: -0.057
local terms energy: -97.368964
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -17.326
flat angles C4'-P-C4' energy: -20.706
flat angles P-C4'-P energy: -15.067
tors. eta vs tors. theta energy: -28.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -261.485071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.485071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.485071 (E_RNA)
where:
Base-Base interactions energy: -176.160
where: short stacking energy: -89.405
Base-Backbone interact. energy: -0.000
local terms energy: -85.324789
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -17.370
flat angles C4'-P-C4' energy: -16.816
flat angles P-C4'-P energy: -13.196
tors. eta vs tors. theta energy: -24.640
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: 5
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -254.582136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.582136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.582136 (E_RNA)
where:
Base-Base interactions energy: -165.889
where: short stacking energy: -76.280
Base-Backbone interact. energy: -0.033
local terms energy: -88.659861
where:
bonds (distance) C4'-P energy: -18.545
bonds (distance) P-C4' energy: -18.284
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -26.241
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: 10
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -254.903308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.903308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.903308 (E_RNA)
where:
Base-Base interactions energy: -171.324
where: short stacking energy: -76.719
Base-Backbone interact. energy: 0.015
local terms energy: -83.595062
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -13.084
flat angles C4'-P-C4' energy: -18.681
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -23.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -216.747038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.747038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.747038 (E_RNA)
where:
Base-Base interactions energy: -149.578
where: short stacking energy: -71.176
Base-Backbone interact. energy: -0.243
local terms energy: -66.925468
where:
bonds (distance) C4'-P energy: -13.062
bonds (distance) P-C4' energy: -10.344
flat angles C4'-P-C4' energy: -13.122
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -18.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -217.492635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.492635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.492635 (E_RNA)
where:
Base-Base interactions energy: -142.910
where: short stacking energy: -66.075
Base-Backbone interact. energy: -0.710
local terms energy: -73.872437
where:
bonds (distance) C4'-P energy: -17.995
bonds (distance) P-C4' energy: -17.912
flat angles C4'-P-C4' energy: -17.835
flat angles P-C4'-P energy: -1.830
tors. eta vs tors. theta energy: -18.301
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: 8
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -136.064054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.064054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.064054 (E_RNA)
where:
Base-Base interactions energy: -68.263
where: short stacking energy: -38.525
Base-Backbone interact. energy: -0.012
local terms energy: -67.789183
where:
bonds (distance) C4'-P energy: -14.402
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -13.468
tors. eta vs tors. theta energy: -7.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -97.488832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.488832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.488832 (E_RNA)
where:
Base-Base interactions energy: -49.663
where: short stacking energy: -17.857
Base-Backbone interact. energy: -0.424
local terms energy: -47.401957
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -10.577
flat angles P-C4'-P energy: -8.702
tors. eta vs tors. theta energy: 0.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -86.023742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.023742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.023742 (E_RNA)
where:
Base-Base interactions energy: -33.615
where: short stacking energy: -28.599
Base-Backbone interact. energy: -0.033
local terms energy: -52.375315
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -10.983
flat angles C4'-P-C4' energy: -12.423
flat angles P-C4'-P energy: -8.924
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: 10, replica: 3
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -103.794588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.794588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.794588 (E_RNA)
where:
Base-Base interactions energy: -48.247
where: short stacking energy: -31.390
Base-Backbone interact. energy: -0.471
local terms energy: -55.075850
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -15.295
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: -2.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -263.437987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.437987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.437987 (E_RNA)
where:
Base-Base interactions energy: -173.389
where: short stacking energy: -76.574
Base-Backbone interact. energy: -0.004
local terms energy: -90.045051
where:
bonds (distance) C4'-P energy: -16.347
bonds (distance) P-C4' energy: -18.539
flat angles C4'-P-C4' energy: -17.671
flat angles P-C4'-P energy: -13.757
tors. eta vs tors. theta energy: -23.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -263.309135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.309135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.309135 (E_RNA)
where:
Base-Base interactions energy: -173.093
where: short stacking energy: -82.202
Base-Backbone interact. energy: -0.035
local terms energy: -90.181477
where:
bonds (distance) C4'-P energy: -16.398
bonds (distance) P-C4' energy: -13.133
flat angles C4'-P-C4' energy: -18.617
flat angles P-C4'-P energy: -14.713
tors. eta vs tors. theta energy: -27.321
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: 10
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -256.374662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.374662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.374662 (E_RNA)
where:
Base-Base interactions energy: -172.084
where: short stacking energy: -79.275
Base-Backbone interact. energy: 0.325
local terms energy: -84.615491
where:
bonds (distance) C4'-P energy: -17.584
bonds (distance) P-C4' energy: -10.062
flat angles C4'-P-C4' energy: -17.697
flat angles P-C4'-P energy: -12.438
tors. eta vs tors. theta energy: -26.835
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: 5
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -236.269140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.269140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.269140 (E_RNA)
where:
Base-Base interactions energy: -153.601
where: short stacking energy: -67.275
Base-Backbone interact. energy: -0.101
local terms energy: -82.566768
where:
bonds (distance) C4'-P energy: -16.161
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -19.005
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -23.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -238.583033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.583033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.583033 (E_RNA)
where:
Base-Base interactions energy: -166.594
where: short stacking energy: -77.383
Base-Backbone interact. energy: -0.086
local terms energy: -71.903011
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -11.798
flat angles P-C4'-P energy: -13.443
tors. eta vs tors. theta energy: -21.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -220.368489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.368489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.368489 (E_RNA)
where:
Base-Base interactions energy: -135.500
where: short stacking energy: -67.004
Base-Backbone interact. energy: -0.383
local terms energy: -84.485638
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -15.608
flat angles C4'-P-C4' energy: -19.283
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -23.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -133.332775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.332775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.332775 (E_RNA)
where:
Base-Base interactions energy: -63.340
where: short stacking energy: -50.997
Base-Backbone interact. energy: -0.206
local terms energy: -69.786946
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -18.068
flat angles P-C4'-P energy: -11.619
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: 8
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -131.564837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.564837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.564837 (E_RNA)
where:
Base-Base interactions energy: -78.050
where: short stacking energy: -47.282
Base-Backbone interact. energy: 0.462
local terms energy: -53.977173
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -15.145
flat angles P-C4'-P energy: -6.551
tors. eta vs tors. theta energy: -7.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -93.562132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.562132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.562132 (E_RNA)
where:
Base-Base interactions energy: -35.589
where: short stacking energy: -29.410
Base-Backbone interact. energy: 0.198
local terms energy: -58.170672
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -19.123
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -0.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -80.510971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.510971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.510971 (E_RNA)
where:
Base-Base interactions energy: -26.160
where: short stacking energy: -16.079
Base-Backbone interact. energy: -0.148
local terms energy: -54.202009
where:
bonds (distance) C4'-P energy: -18.649
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -11.950
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: 5.438
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: 6
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -265.961552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.961552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.961552 (E_RNA)
where:
Base-Base interactions energy: -169.959
where: short stacking energy: -83.066
Base-Backbone interact. energy: -0.671
local terms energy: -95.331454
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -19.098
flat angles P-C4'-P energy: -14.423
tors. eta vs tors. theta energy: -26.723
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: 10
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -260.344196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.344196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.344196 (E_RNA)
where:
Base-Base interactions energy: -172.917
where: short stacking energy: -79.009
Base-Backbone interact. energy: -0.068
local terms energy: -87.359767
where:
bonds (distance) C4'-P energy: -16.168
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -19.759
flat angles P-C4'-P energy: -11.061
tors. eta vs tors. theta energy: -26.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -246.647035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.647035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.647035 (E_RNA)
where:
Base-Base interactions energy: -165.122
where: short stacking energy: -76.727
Base-Backbone interact. energy: -0.012
local terms energy: -81.512648
where:
bonds (distance) C4'-P energy: -18.561
bonds (distance) P-C4' energy: -7.769
flat angles C4'-P-C4' energy: -15.366
flat angles P-C4'-P energy: -16.347
tors. eta vs tors. theta energy: -23.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -244.634085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.634085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.634085 (E_RNA)
where:
Base-Base interactions energy: -157.478
where: short stacking energy: -80.700
Base-Backbone interact. energy: -0.376
local terms energy: -86.779894
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -14.732
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -13.231
tors. eta vs tors. theta energy: -26.350
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: 5
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -244.999532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.999532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.999532 (E_RNA)
where:
Base-Base interactions energy: -163.274
where: short stacking energy: -79.837
Base-Backbone interact. energy: -0.158
local terms energy: -81.567147
where:
bonds (distance) C4'-P energy: -16.830
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -14.623
tors. eta vs tors. theta energy: -19.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -229.209323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.209323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.209323 (E_RNA)
where:
Base-Base interactions energy: -149.194
where: short stacking energy: -65.014
Base-Backbone interact. energy: 0.146
local terms energy: -80.161484
where:
bonds (distance) C4'-P energy: -17.402
bonds (distance) P-C4' energy: -8.556
flat angles C4'-P-C4' energy: -17.361
flat angles P-C4'-P energy: -13.101
tors. eta vs tors. theta energy: -23.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -94.797294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.797294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.797294 (E_RNA)
where:
Base-Base interactions energy: -36.280
where: short stacking energy: -30.688
Base-Backbone interact. energy: 0.911
local terms energy: -59.429017
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -17.240
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: 0.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -88.585032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.585032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.585032 (E_RNA)
where:
Base-Base interactions energy: -31.078
where: short stacking energy: -30.300
Base-Backbone interact. energy: -0.338
local terms energy: -57.168765
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -8.831
tors. eta vs tors. theta energy: -5.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -99.222685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.222685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.222685 (E_RNA)
where:
Base-Base interactions energy: -52.482
where: short stacking energy: -29.757
Base-Backbone interact. energy: -0.110
local terms energy: -46.630446
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -3.354
tors. eta vs tors. theta energy: -1.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -85.321184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.321184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.321184 (E_RNA)
where:
Base-Base interactions energy: -31.525
where: short stacking energy: -23.610
Base-Backbone interact. energy: -0.475
local terms energy: -53.320327
where:
bonds (distance) C4'-P energy: -17.953
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -15.192
flat angles P-C4'-P energy: -5.348
tors. eta vs tors. theta energy: -0.474
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: 6
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -269.978046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.978046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.978046 (E_RNA)
where:
Base-Base interactions energy: -176.736
where: short stacking energy: -80.211
Base-Backbone interact. energy: 0.300
local terms energy: -93.541591
where:
bonds (distance) C4'-P energy: -18.330
bonds (distance) P-C4' energy: -19.013
flat angles C4'-P-C4' energy: -19.134
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -25.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -258.161739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.161739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.161739 (E_RNA)
where:
Base-Base interactions energy: -169.889
where: short stacking energy: -81.950
Base-Backbone interact. energy: -0.016
local terms energy: -88.256330
where:
bonds (distance) C4'-P energy: -13.111
bonds (distance) P-C4' energy: -19.580
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: -25.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -244.015757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.015757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.015757 (E_RNA)
where:
Base-Base interactions energy: -160.061
where: short stacking energy: -73.331
Base-Backbone interact. energy: -0.006
local terms energy: -83.949658
where:
bonds (distance) C4'-P energy: -17.216
bonds (distance) P-C4' energy: -18.237
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -22.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -234.279096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.279096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.279096 (E_RNA)
where:
Base-Base interactions energy: -152.076
where: short stacking energy: -67.352
Base-Backbone interact. energy: -0.128
local terms energy: -82.074797
where:
bonds (distance) C4'-P energy: -19.153
bonds (distance) P-C4' energy: -19.224
flat angles C4'-P-C4' energy: -17.137
flat angles P-C4'-P energy: -6.704
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: 5, replica: 5
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -250.259839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.259839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.259839 (E_RNA)
where:
Base-Base interactions energy: -163.638
where: short stacking energy: -74.302
Base-Backbone interact. energy: -0.003
local terms energy: -86.618767
where:
bonds (distance) C4'-P energy: -17.064
bonds (distance) P-C4' energy: -15.655
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -13.415
tors. eta vs tors. theta energy: -25.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -223.884672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.884672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.884672 (E_RNA)
where:
Base-Base interactions energy: -145.914
where: short stacking energy: -59.770
Base-Backbone interact. energy: 1.283
local terms energy: -79.254363
where:
bonds (distance) C4'-P energy: -10.753
bonds (distance) P-C4' energy: -17.450
flat angles C4'-P-C4' energy: -17.750
flat angles P-C4'-P energy: -15.144
tors. eta vs tors. theta energy: -18.157
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: 3
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -110.485865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.485865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.485865 (E_RNA)
where:
Base-Base interactions energy: -55.508
where: short stacking energy: -29.981
Base-Backbone interact. energy: -0.263
local terms energy: -54.714761
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -9.831
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -3.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -112.780898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.780898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.780898 (E_RNA)
where:
Base-Base interactions energy: -53.103
where: short stacking energy: -53.103
Base-Backbone interact. energy: -0.009
local terms energy: -59.669158
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -4.481
tors. eta vs tors. theta energy: -9.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -76.969696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.969696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.969696 (E_RNA)
where:
Base-Base interactions energy: -26.278
where: short stacking energy: -22.218
Base-Backbone interact. energy: -0.387
local terms energy: -50.305026
where:
bonds (distance) C4'-P energy: -13.977
bonds (distance) P-C4' energy: -18.901
flat angles C4'-P-C4' energy: -17.877
flat angles P-C4'-P energy: -4.380
tors. eta vs tors. theta energy: 4.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -81.731761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.731761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.731761 (E_RNA)
where:
Base-Base interactions energy: -28.563
where: short stacking energy: -26.659
Base-Backbone interact. energy: -0.449
local terms energy: -52.719639
where:
bonds (distance) C4'-P energy: -16.907
bonds (distance) P-C4' energy: -14.411
flat angles C4'-P-C4' energy: -12.937
flat angles P-C4'-P energy: -5.482
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: 1, replica: 6
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -263.049475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.049475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.049475 (E_RNA)
where:
Base-Base interactions energy: -174.933
where: short stacking energy: -88.506
Base-Backbone interact. energy: -0.015
local terms energy: -88.101651
where:
bonds (distance) C4'-P energy: -16.699
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -19.753
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -25.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -253.645554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.645554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.645554 (E_RNA)
where:
Base-Base interactions energy: -159.748
where: short stacking energy: -71.180
Base-Backbone interact. energy: -0.469
local terms energy: -93.428308
where:
bonds (distance) C4'-P energy: -19.173
bonds (distance) P-C4' energy: -20.299
flat angles C4'-P-C4' energy: -17.816
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -23.651
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: 10
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -242.615594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.615594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.615594 (E_RNA)
where:
Base-Base interactions energy: -159.633
where: short stacking energy: -64.924
Base-Backbone interact. energy: 2.360
local terms energy: -85.342200
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -19.635
flat angles C4'-P-C4' energy: -17.344
flat angles P-C4'-P energy: -12.908
tors. eta vs tors. theta energy: -20.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -242.764959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.764959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.764959 (E_RNA)
where:
Base-Base interactions energy: -168.216
where: short stacking energy: -75.201
Base-Backbone interact. energy: -0.171
local terms energy: -74.378109
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -7.043
flat angles C4'-P-C4' energy: -17.886
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -25.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -244.658932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.658932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.658932 (E_RNA)
where:
Base-Base interactions energy: -153.884
where: short stacking energy: -75.515
Base-Backbone interact. energy: -0.006
local terms energy: -90.769143
where:
bonds (distance) C4'-P energy: -15.222
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -19.323
flat angles P-C4'-P energy: -12.112
tors. eta vs tors. theta energy: -24.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -223.143428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.143428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.143428 (E_RNA)
where:
Base-Base interactions energy: -138.601
where: short stacking energy: -68.776
Base-Backbone interact. energy: -0.012
local terms energy: -84.530952
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -16.234
tors. eta vs tors. theta energy: -22.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -105.676594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.676594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.676594 (E_RNA)
where:
Base-Base interactions energy: -44.502
where: short stacking energy: -36.155
Base-Backbone interact. energy: -0.108
local terms energy: -61.066463
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -10.378
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: 7
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -102.206338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.206338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.206338 (E_RNA)
where:
Base-Base interactions energy: -42.509
where: short stacking energy: -37.331
Base-Backbone interact. energy: -0.163
local terms energy: -59.534218
where:
bonds (distance) C4'-P energy: -14.311
bonds (distance) P-C4' energy: -15.510
flat angles C4'-P-C4' energy: -16.293
flat angles P-C4'-P energy: -4.840
tors. eta vs tors. theta energy: -8.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -80.165068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.165068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.165068 (E_RNA)
where:
Base-Base interactions energy: -25.586
where: short stacking energy: -25.485
Base-Backbone interact. energy: -0.199
local terms energy: -54.380190
where:
bonds (distance) C4'-P energy: -17.940
bonds (distance) P-C4' energy: -10.587
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -8.311
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: 10, replica: 8
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -97.178688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.178688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.178688 (E_RNA)
where:
Base-Base interactions energy: -33.705
where: short stacking energy: -28.488
Base-Backbone interact. energy: -0.252
local terms energy: -63.221955
where:
bonds (distance) C4'-P energy: -17.420
bonds (distance) P-C4' energy: -18.309
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -2.944
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: 9
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -264.803909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.803909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.803909 (E_RNA)
where:
Base-Base interactions energy: -171.088
where: short stacking energy: -86.576
Base-Backbone interact. energy: -0.008
local terms energy: -93.708170
where:
bonds (distance) C4'-P energy: -18.387
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -17.930
flat angles P-C4'-P energy: -14.603
tors. eta vs tors. theta energy: -26.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -266.982867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.982867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.982867 (E_RNA)
where:
Base-Base interactions energy: -174.186
where: short stacking energy: -76.099
Base-Backbone interact. energy: -0.700
local terms energy: -92.096791
where:
bonds (distance) C4'-P energy: -18.902
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -13.829
tors. eta vs tors. theta energy: -25.836
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: 2
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -248.117547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.117547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.117547 (E_RNA)
where:
Base-Base interactions energy: -161.521
where: short stacking energy: -76.207
Base-Backbone interact. energy: -0.047
local terms energy: -86.549648
where:
bonds (distance) C4'-P energy: -18.880
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -13.223
tors. eta vs tors. theta energy: -23.099
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: 10
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -241.796436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.796436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.796436 (E_RNA)
where:
Base-Base interactions energy: -155.655
where: short stacking energy: -69.531
Base-Backbone interact. energy: -0.001
local terms energy: -86.140449
where:
bonds (distance) C4'-P energy: -13.335
bonds (distance) P-C4' energy: -16.472
flat angles C4'-P-C4' energy: -16.820
flat angles P-C4'-P energy: -12.696
tors. eta vs tors. theta energy: -26.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -232.798183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.798183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.798183 (E_RNA)
where:
Base-Base interactions energy: -149.184
where: short stacking energy: -64.400
Base-Backbone interact. energy: -0.084
local terms energy: -83.530506
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -19.395
flat angles P-C4'-P energy: -12.462
tors. eta vs tors. theta energy: -21.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -224.927877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.927877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.927877 (E_RNA)
where:
Base-Base interactions energy: -155.515
where: short stacking energy: -81.901
Base-Backbone interact. energy: 3.366
local terms energy: -72.778235
where:
bonds (distance) C4'-P energy: -7.227
bonds (distance) P-C4' energy: -16.909
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -24.612
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: 328
Temperature: 1.200000
Total energy: -111.730441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.730441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.730441 (E_RNA)
where:
Base-Base interactions energy: -42.387
where: short stacking energy: -36.571
Base-Backbone interact. energy: 0.386
local terms energy: -69.729812
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -13.553
tors. eta vs tors. theta energy: -10.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -103.840404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.840404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.840404 (E_RNA)
where:
Base-Base interactions energy: -43.273
where: short stacking energy: -20.104
Base-Backbone interact. energy: -0.224
local terms energy: -60.342988
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -16.721
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -2.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -90.346881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.346881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.346881 (E_RNA)
where:
Base-Base interactions energy: -28.869
where: short stacking energy: -28.869
Base-Backbone interact. energy: -0.034
local terms energy: -61.443678
where:
bonds (distance) C4'-P energy: -18.226
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -9.746
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -7.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -86.050762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.050762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.050762 (E_RNA)
where:
Base-Base interactions energy: -33.521
where: short stacking energy: -33.521
Base-Backbone interact. energy: -0.188
local terms energy: -52.341620
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -13.524
flat angles C4'-P-C4' energy: -12.011
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -4.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -260.180386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.180386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.180386 (E_RNA)
where:
Base-Base interactions energy: -167.181
where: short stacking energy: -78.717
Base-Backbone interact. energy: -0.016
local terms energy: -92.983570
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -18.999
flat angles C4'-P-C4' energy: -19.024
flat angles P-C4'-P energy: -17.304
tors. eta vs tors. theta energy: -25.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -257.082641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.082641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.082641 (E_RNA)
where:
Base-Base interactions energy: -172.804
where: short stacking energy: -83.789
Base-Backbone interact. energy: -0.123
local terms energy: -84.155196
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -25.443
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: 3, replica: 6
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -247.499375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.499375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.499375 (E_RNA)
where:
Base-Base interactions energy: -166.716
where: short stacking energy: -79.127
Base-Backbone interact. energy: -0.046
local terms energy: -80.737838
where:
bonds (distance) C4'-P energy: -18.943
bonds (distance) P-C4' energy: -10.838
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -27.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -253.078875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.078875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.078875 (E_RNA)
where:
Base-Base interactions energy: -167.973
where: short stacking energy: -81.150
Base-Backbone interact. energy: -0.025
local terms energy: -85.080602
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -16.818
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -27.330
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: 4
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -238.631976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.631976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.631976 (E_RNA)
where:
Base-Base interactions energy: -156.487
where: short stacking energy: -71.304
Base-Backbone interact. energy: -0.108
local terms energy: -82.037062
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -17.191
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: -22.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -239.862701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.862701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.862701 (E_RNA)
where:
Base-Base interactions energy: -165.390
where: short stacking energy: -78.835
Base-Backbone interact. energy: -0.090
local terms energy: -74.383249
where:
bonds (distance) C4'-P energy: -16.546
bonds (distance) P-C4' energy: -8.628
flat angles C4'-P-C4' energy: -11.656
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -24.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -110.435192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.435192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.435192 (E_RNA)
where:
Base-Base interactions energy: -46.403
where: short stacking energy: -33.477
Base-Backbone interact. energy: -0.082
local terms energy: -63.950437
where:
bonds (distance) C4'-P energy: -18.040
bonds (distance) P-C4' energy: -17.857
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -10.518
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: 3
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -113.791161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.791161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.791161 (E_RNA)
where:
Base-Base interactions energy: -64.075
where: short stacking energy: -38.129
Base-Backbone interact. energy: -0.097
local terms energy: -49.619384
where:
bonds (distance) C4'-P energy: -11.109
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -5.730
tors. eta vs tors. theta energy: -1.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -86.800256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.800256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.800256 (E_RNA)
where:
Base-Base interactions energy: -35.975
where: short stacking energy: -32.604
Base-Backbone interact. energy: -0.115
local terms energy: -50.709474
where:
bonds (distance) C4'-P energy: -9.578
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -3.816
tors. eta vs tors. theta energy: -8.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -79.646349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.646349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.646349 (E_RNA)
where:
Base-Base interactions energy: -27.680
where: short stacking energy: -22.314
Base-Backbone interact. energy: -0.220
local terms energy: -51.746981
where:
bonds (distance) C4'-P energy: -7.279
bonds (distance) P-C4' energy: -19.591
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -5.849
tors. eta vs tors. theta energy: -3.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -270.853888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.853888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.853888 (E_RNA)
where:
Base-Base interactions energy: -177.672
where: short stacking energy: -86.580
Base-Backbone interact. energy: 0.112
local terms energy: -93.294049
where:
bonds (distance) C4'-P energy: -17.908
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -20.586
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -26.681
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: 330
Temperature: 0.950000
Total energy: -242.776619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.776619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.776619 (E_RNA)
where:
Base-Base interactions energy: -160.483
where: short stacking energy: -74.386
Base-Backbone interact. energy: -0.698
local terms energy: -81.595481
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -19.550
flat angles C4'-P-C4' energy: -18.580
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: -21.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -253.573218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.573218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.573218 (E_RNA)
where:
Base-Base interactions energy: -164.546
where: short stacking energy: -74.123
Base-Backbone interact. energy: -0.768
local terms energy: -88.259123
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -19.936
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -25.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -248.105640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.105640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.105640 (E_RNA)
where:
Base-Base interactions energy: -160.561
where: short stacking energy: -79.962
Base-Backbone interact. energy: -0.386
local terms energy: -87.158849
where:
bonds (distance) C4'-P energy: -17.616
bonds (distance) P-C4' energy: -11.756
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -14.824
tors. eta vs tors. theta energy: -26.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -238.635590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.635590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.635590 (E_RNA)
where:
Base-Base interactions energy: -166.213
where: short stacking energy: -74.411
Base-Backbone interact. energy: -0.112
local terms energy: -72.310728
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -16.999
flat angles P-C4'-P energy: -7.476
tors. eta vs tors. theta energy: -22.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -208.191204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.191204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.191204 (E_RNA)
where:
Base-Base interactions energy: -131.430
where: short stacking energy: -66.571
Base-Backbone interact. energy: -0.058
local terms energy: -76.703974
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -17.861
flat angles P-C4'-P energy: -12.377
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: 7, replica: 3
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -126.330013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.330013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.330013 (E_RNA)
where:
Base-Base interactions energy: -65.670
where: short stacking energy: -38.769
Base-Backbone interact. energy: -0.220
local terms energy: -60.440904
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -19.497
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -6.761
tors. eta vs tors. theta energy: -4.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -94.064548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.064548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.064548 (E_RNA)
where:
Base-Base interactions energy: -33.828
where: short stacking energy: -33.828
Base-Backbone interact. energy: 1.033
local terms energy: -61.269698
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -17.341
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -3.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -87.805497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.805497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.805497 (E_RNA)
where:
Base-Base interactions energy: -35.357
where: short stacking energy: -31.807
Base-Backbone interact. energy: -0.025
local terms energy: -52.423715
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: 0.851
tors. eta vs tors. theta energy: -9.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -86.150460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.150460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.150460 (E_RNA)
where:
Base-Base interactions energy: -35.828
where: short stacking energy: -27.571
Base-Backbone interact. energy: -0.451
local terms energy: -49.871213
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -13.784
flat angles P-C4'-P energy: -3.632
tors. eta vs tors. theta energy: -4.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -261.418263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.418263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.418263 (E_RNA)
where:
Base-Base interactions energy: -170.393
where: short stacking energy: -81.212
Base-Backbone interact. energy: -0.068
local terms energy: -90.957410
where:
bonds (distance) C4'-P energy: -19.753
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -15.511
flat angles P-C4'-P energy: -13.256
tors. eta vs tors. theta energy: -26.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -249.452523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.452523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.452523 (E_RNA)
where:
Base-Base interactions energy: -163.355
where: short stacking energy: -77.424
Base-Backbone interact. energy: -0.008
local terms energy: -86.089631
where:
bonds (distance) C4'-P energy: -15.598
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -12.624
tors. eta vs tors. theta energy: -23.681
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: 2
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -251.655130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.655130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.655130 (E_RNA)
where:
Base-Base interactions energy: -169.878
where: short stacking energy: -78.133
Base-Backbone interact. energy: -0.020
local terms energy: -81.757056
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -12.928
flat angles C4'-P-C4' energy: -12.021
flat angles P-C4'-P energy: -16.888
tors. eta vs tors. theta energy: -25.668
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: 4, replica: 5
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -242.330269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.330269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.330269 (E_RNA)
where:
Base-Base interactions energy: -158.589
where: short stacking energy: -68.486
Base-Backbone interact. energy: -0.134
local terms energy: -83.606740
where:
bonds (distance) C4'-P energy: -17.505
bonds (distance) P-C4' energy: -16.922
flat angles C4'-P-C4' energy: -18.217
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -19.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -235.550023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.550023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.550023 (E_RNA)
where:
Base-Base interactions energy: -153.899
where: short stacking energy: -77.140
Base-Backbone interact. energy: -0.121
local terms energy: -81.530651
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -19.785
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -21.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -201.372170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.372170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.372170 (E_RNA)
where:
Base-Base interactions energy: -128.320
where: short stacking energy: -52.605
Base-Backbone interact. energy: -0.172
local terms energy: -72.879856
where:
bonds (distance) C4'-P energy: -16.546
bonds (distance) P-C4' energy: -16.508
flat angles C4'-P-C4' energy: -18.670
flat angles P-C4'-P energy: -7.505
tors. eta vs tors. theta energy: -13.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -137.119586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.119586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.119586 (E_RNA)
where:
Base-Base interactions energy: -79.245
where: short stacking energy: -44.054
Base-Backbone interact. energy: -0.783
local terms energy: -57.091441
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -9.267
flat angles P-C4'-P energy: -3.840
tors. eta vs tors. theta energy: -10.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -92.452444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.452444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.452444 (E_RNA)
where:
Base-Base interactions energy: -41.452
where: short stacking energy: -27.757
Base-Backbone interact. energy: -0.424
local terms energy: -50.576245
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -12.382
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -1.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -98.686743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.686743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.686743 (E_RNA)
where:
Base-Base interactions energy: -38.595
where: short stacking energy: -31.044
Base-Backbone interact. energy: -0.186
local terms energy: -59.905849
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -11.061
tors. eta vs tors. theta energy: -3.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -80.548146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.548146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.548146 (E_RNA)
where:
Base-Base interactions energy: -30.280
where: short stacking energy: -21.429
Base-Backbone interact. energy: -0.733
local terms energy: -49.535562
where:
bonds (distance) C4'-P energy: -16.861
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -7.931
tors. eta vs tors. theta energy: 3.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -263.696364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.696364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.696364 (E_RNA)
where:
Base-Base interactions energy: -173.713
where: short stacking energy: -77.519
Base-Backbone interact. energy: -0.067
local terms energy: -89.917089
where:
bonds (distance) C4'-P energy: -16.586
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -14.106
tors. eta vs tors. theta energy: -23.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -260.222254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.222254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.222254 (E_RNA)
where:
Base-Base interactions energy: -175.577
where: short stacking energy: -85.777
Base-Backbone interact. energy: -0.004
local terms energy: -84.641806
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -20.279
flat angles P-C4'-P energy: -10.716
tors. eta vs tors. theta energy: -26.137
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: 3, replica: 2
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -246.513035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.513035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.513035 (E_RNA)
where:
Base-Base interactions energy: -161.514
where: short stacking energy: -76.165
Base-Backbone interact. energy: -0.005
local terms energy: -84.994208
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -19.820
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -24.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -234.285231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.285231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.285231 (E_RNA)
where:
Base-Base interactions energy: -155.903
where: short stacking energy: -69.078
Base-Backbone interact. energy: -0.332
local terms energy: -78.050213
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -18.610
flat angles C4'-P-C4' energy: -11.407
flat angles P-C4'-P energy: -12.710
tors. eta vs tors. theta energy: -23.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -236.809621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.809621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.809621 (E_RNA)
where:
Base-Base interactions energy: -153.304
where: short stacking energy: -69.183
Base-Backbone interact. energy: -0.069
local terms energy: -83.436759
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -20.621
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -13.596
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: 6, replica: 4
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -223.448005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.448005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.448005 (E_RNA)
where:
Base-Base interactions energy: -144.907
where: short stacking energy: -70.019
Base-Backbone interact. energy: -0.023
local terms energy: -78.518408
where:
bonds (distance) C4'-P energy: -14.994
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -13.141
tors. eta vs tors. theta energy: -20.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -98.344528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.344528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.344528 (E_RNA)
where:
Base-Base interactions energy: -49.228
where: short stacking energy: -34.525
Base-Backbone interact. energy: 0.695
local terms energy: -49.812101
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -9.916
flat angles C4'-P-C4' energy: -11.349
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -4.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -92.880177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.880177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.880177 (E_RNA)
where:
Base-Base interactions energy: -31.668
where: short stacking energy: -24.843
Base-Backbone interact. energy: -0.092
local terms energy: -61.120591
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -10.064
tors. eta vs tors. theta energy: -6.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -85.311323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.311323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.311323 (E_RNA)
where:
Base-Base interactions energy: -34.787
where: short stacking energy: -25.463
Base-Backbone interact. energy: -0.107
local terms energy: -50.417608
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -12.536
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: 1.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -80.951347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.951347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.951347 (E_RNA)
where:
Base-Base interactions energy: -25.919
where: short stacking energy: -25.862
Base-Backbone interact. energy: -0.307
local terms energy: -54.725963
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: -2.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -263.507893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.507893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.507893 (E_RNA)
where:
Base-Base interactions energy: -178.001
where: short stacking energy: -80.506
Base-Backbone interact. energy: -0.057
local terms energy: -85.449387
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -25.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -257.003377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.003377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.003377 (E_RNA)
where:
Base-Base interactions energy: -168.725
where: short stacking energy: -84.718
Base-Backbone interact. energy: 0.057
local terms energy: -88.335489
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -17.490
flat angles C4'-P-C4' energy: -19.437
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -24.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -244.060335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.060335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.060335 (E_RNA)
where:
Base-Base interactions energy: -163.236
where: short stacking energy: -72.778
Base-Backbone interact. energy: -0.100
local terms energy: -80.723918
where:
bonds (distance) C4'-P energy: -17.342
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -13.309
flat angles P-C4'-P energy: -14.117
tors. eta vs tors. theta energy: -21.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -233.176422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.176422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.176422 (E_RNA)
where:
Base-Base interactions energy: -151.588
where: short stacking energy: -69.200
Base-Backbone interact. energy: 0.498
local terms energy: -82.086568
where:
bonds (distance) C4'-P energy: -15.103
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -17.538
flat angles P-C4'-P energy: -14.119
tors. eta vs tors. theta energy: -20.945
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: 5
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -219.274420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.274420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.274420 (E_RNA)
where:
Base-Base interactions energy: -143.811
where: short stacking energy: -76.138
Base-Backbone interact. energy: -0.071
local terms energy: -75.392644
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -17.995
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -18.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -228.038330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.038330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.038330 (E_RNA)
where:
Base-Base interactions energy: -152.146
where: short stacking energy: -68.985
Base-Backbone interact. energy: 2.049
local terms energy: -77.941091
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -15.655
flat angles C4'-P-C4' energy: -16.074
flat angles P-C4'-P energy: -12.672
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: 7, replica: 1
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -107.873887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.873887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.873887 (E_RNA)
where:
Base-Base interactions energy: -39.119
where: short stacking energy: -39.119
Base-Backbone interact. energy: -0.062
local terms energy: -68.692515
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -18.794
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -9.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -103.753779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.753779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.753779 (E_RNA)
where:
Base-Base interactions energy: -48.620
where: short stacking energy: -35.001
Base-Backbone interact. energy: -1.038
local terms energy: -54.095726
where:
bonds (distance) C4'-P energy: -15.036
bonds (distance) P-C4' energy: -13.947
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -6.775
tors. eta vs tors. theta energy: -3.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -102.860869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.860869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.860869 (E_RNA)
where:
Base-Base interactions energy: -49.499
where: short stacking energy: -46.588
Base-Backbone interact. energy: -0.117
local terms energy: -53.245460
where:
bonds (distance) C4'-P energy: -13.330
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -10.540
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: -4.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -87.628635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.628635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.628635 (E_RNA)
where:
Base-Base interactions energy: -37.207
where: short stacking energy: -30.707
Base-Backbone interact. energy: 0.152
local terms energy: -50.573294
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -11.249
flat angles C4'-P-C4' energy: -10.966
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -5.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -260.273543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.273543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.273543 (E_RNA)
where:
Base-Base interactions energy: -170.504
where: short stacking energy: -85.224
Base-Backbone interact. energy: -0.024
local terms energy: -89.745289
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -19.137
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -24.385
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: 6
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -249.183723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.183723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.183723 (E_RNA)
where:
Base-Base interactions energy: -166.484
where: short stacking energy: -76.869
Base-Backbone interact. energy: -0.353
local terms energy: -82.346331
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -8.874
tors. eta vs tors. theta energy: -25.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -242.093017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.093017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.093017 (E_RNA)
where:
Base-Base interactions energy: -152.055
where: short stacking energy: -71.361
Base-Backbone interact. energy: -0.016
local terms energy: -90.021947
where:
bonds (distance) C4'-P energy: -19.617
bonds (distance) P-C4' energy: -18.449
flat angles C4'-P-C4' energy: -18.410
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -23.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -243.634106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.634106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.634106 (E_RNA)
where:
Base-Base interactions energy: -158.961
where: short stacking energy: -81.534
Base-Backbone interact. energy: -0.006
local terms energy: -84.666556
where:
bonds (distance) C4'-P energy: -16.364
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -18.396
flat angles P-C4'-P energy: -12.400
tors. eta vs tors. theta energy: -21.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -247.257404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.257404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.257404 (E_RNA)
where:
Base-Base interactions energy: -161.463
where: short stacking energy: -83.403
Base-Backbone interact. energy: -0.039
local terms energy: -85.755516
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -19.498
flat angles C4'-P-C4' energy: -16.610
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -25.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -217.957890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.957890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.957890 (E_RNA)
where:
Base-Base interactions energy: -138.296
where: short stacking energy: -65.277
Base-Backbone interact. energy: -1.440
local terms energy: -78.222330
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -17.538
flat angles P-C4'-P energy: -11.858
tors. eta vs tors. theta energy: -22.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -108.408269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.408269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.408269 (E_RNA)
where:
Base-Base interactions energy: -42.758
where: short stacking energy: -33.987
Base-Backbone interact. energy: -0.490
local terms energy: -65.159569
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -18.772
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -4.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -97.254512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.254512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.254512 (E_RNA)
where:
Base-Base interactions energy: -43.796
where: short stacking energy: -40.145
Base-Backbone interact. energy: 0.924
local terms energy: -54.382592
where:
bonds (distance) C4'-P energy: -15.036
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -5.882
tors. eta vs tors. theta energy: -2.302
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: 7
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -81.766683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.766683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.766683 (E_RNA)
where:
Base-Base interactions energy: -31.385
where: short stacking energy: -22.952
Base-Backbone interact. energy: -0.042
local terms energy: -50.339295
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -12.425
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -7.292
tors. eta vs tors. theta energy: -1.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -83.876758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.876758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.876758 (E_RNA)
where:
Base-Base interactions energy: -29.461
where: short stacking energy: -27.129
Base-Backbone interact. energy: -0.132
local terms energy: -54.284066
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -14.346
flat angles C4'-P-C4' energy: -10.242
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -3.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -265.524062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.524062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.524062 (E_RNA)
where:
Base-Base interactions energy: -178.032
where: short stacking energy: -83.527
Base-Backbone interact. energy: -0.006
local terms energy: -87.485545
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -16.535
flat angles C4'-P-C4' energy: -15.462
flat angles P-C4'-P energy: -14.606
tors. eta vs tors. theta energy: -26.035
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: 10
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -260.764885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.764885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.764885 (E_RNA)
where:
Base-Base interactions energy: -170.552
where: short stacking energy: -81.435
Base-Backbone interact. energy: -0.098
local terms energy: -90.115172
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -19.039
flat angles P-C4'-P energy: -14.116
tors. eta vs tors. theta energy: -26.400
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: 3, replica: 6
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -255.370164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.370164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.370164 (E_RNA)
where:
Base-Base interactions energy: -170.074
where: short stacking energy: -81.177
Base-Backbone interact. energy: -0.142
local terms energy: -85.153731
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -11.103
tors. eta vs tors. theta energy: -23.867
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: 2
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -257.005238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.005238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.005238 (E_RNA)
where:
Base-Base interactions energy: -166.718
where: short stacking energy: -82.085
Base-Backbone interact. energy: -0.251
local terms energy: -90.036954
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -17.324
flat angles C4'-P-C4' energy: -19.473
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -25.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -247.123366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.123366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.123366 (E_RNA)
where:
Base-Base interactions energy: -158.012
where: short stacking energy: -74.216
Base-Backbone interact. energy: -0.042
local terms energy: -89.069539
where:
bonds (distance) C4'-P energy: -17.543
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -15.247
tors. eta vs tors. theta energy: -26.525
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: 6, replica: 5
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -216.409633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.409633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.409633 (E_RNA)
where:
Base-Base interactions energy: -149.023
where: short stacking energy: -63.439
Base-Backbone interact. energy: -0.104
local terms energy: -67.283418
where:
bonds (distance) C4'-P energy: -12.085
bonds (distance) P-C4' energy: -10.616
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -18.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -97.871457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.871457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.871457 (E_RNA)
where:
Base-Base interactions energy: -43.252
where: short stacking energy: -27.442
Base-Backbone interact. energy: -0.426
local terms energy: -54.193484
where:
bonds (distance) C4'-P energy: -11.375
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -11.593
tors. eta vs tors. theta energy: 0.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -99.362991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.362991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.362991 (E_RNA)
where:
Base-Base interactions energy: -35.972
where: short stacking energy: -35.015
Base-Backbone interact. energy: -0.215
local terms energy: -63.175944
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -9.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -92.124237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.124237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.124237 (E_RNA)
where:
Base-Base interactions energy: -25.889
where: short stacking energy: -25.889
Base-Backbone interact. energy: -0.215
local terms energy: -66.020412
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -10.629
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: 8
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -90.704238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.704238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.704238 (E_RNA)
where:
Base-Base interactions energy: -37.466
where: short stacking energy: -28.023
Base-Backbone interact. energy: -0.105
local terms energy: -53.133481
where:
bonds (distance) C4'-P energy: -17.565
bonds (distance) P-C4' energy: -10.180
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: 0.061
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: 10
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -265.774467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.774467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.774467 (E_RNA)
where:
Base-Base interactions energy: -173.598
where: short stacking energy: -83.960
Base-Backbone interact. energy: -0.619
local terms energy: -91.557095
where:
bonds (distance) C4'-P energy: -18.645
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -18.404
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -25.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -266.742467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.742467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.742467 (E_RNA)
where:
Base-Base interactions energy: -172.674
where: short stacking energy: -83.557
Base-Backbone interact. energy: -0.303
local terms energy: -93.765015
where:
bonds (distance) C4'-P energy: -18.213
bonds (distance) P-C4' energy: -19.464
flat angles C4'-P-C4' energy: -17.415
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -27.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -251.108592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.108592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.108592 (E_RNA)
where:
Base-Base interactions energy: -170.657
where: short stacking energy: -83.049
Base-Backbone interact. energy: -0.025
local terms energy: -80.427122
where:
bonds (distance) C4'-P energy: -10.406
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -17.443
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -27.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -250.517601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.517601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.517601 (E_RNA)
where:
Base-Base interactions energy: -162.319
where: short stacking energy: -78.730
Base-Backbone interact. energy: -0.058
local terms energy: -88.140522
where:
bonds (distance) C4'-P energy: -14.610
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -14.571
tors. eta vs tors. theta energy: -24.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -235.821888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.821888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.821888 (E_RNA)
where:
Base-Base interactions energy: -151.914
where: short stacking energy: -65.310
Base-Backbone interact. energy: -0.118
local terms energy: -83.790090
where:
bonds (distance) C4'-P energy: -14.394
bonds (distance) P-C4' energy: -17.830
flat angles C4'-P-C4' energy: -17.458
flat angles P-C4'-P energy: -11.589
tors. eta vs tors. theta energy: -22.519
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: 6, replica: 5
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -221.377180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.377180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.377180 (E_RNA)
where:
Base-Base interactions energy: -143.011
where: short stacking energy: -57.612
Base-Backbone interact. energy: -0.255
local terms energy: -78.110922
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -19.070
flat angles C4'-P-C4' energy: -14.133
flat angles P-C4'-P energy: -13.258
tors. eta vs tors. theta energy: -17.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -98.114786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.114786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.114786 (E_RNA)
where:
Base-Base interactions energy: -33.666
where: short stacking energy: -32.231
Base-Backbone interact. energy: -0.097
local terms energy: -64.351773
where:
bonds (distance) C4'-P energy: -19.618
bonds (distance) P-C4' energy: -14.058
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -7.345
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: 8, replica: 3
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -110.983134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.983134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.983134 (E_RNA)
where:
Base-Base interactions energy: -44.193
where: short stacking energy: -34.578
Base-Backbone interact. energy: -0.322
local terms energy: -66.468148
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -18.901
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -8.641
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: 8
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -86.141971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.141971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.141971 (E_RNA)
where:
Base-Base interactions energy: -29.501
where: short stacking energy: -22.933
Base-Backbone interact. energy: -0.024
local terms energy: -56.617521
where:
bonds (distance) C4'-P energy: -15.991
bonds (distance) P-C4' energy: -11.714
flat angles C4'-P-C4' energy: -18.817
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: 0.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -91.971135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.971135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.971135 (E_RNA)
where:
Base-Base interactions energy: -36.113
where: short stacking energy: -32.141
Base-Backbone interact. energy: -0.975
local terms energy: -54.883654
where:
bonds (distance) C4'-P energy: -11.569
bonds (distance) P-C4' energy: -16.119
flat angles C4'-P-C4' energy: -11.015
flat angles P-C4'-P energy: -7.839
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: 1, replica: 10
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -263.612928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.612928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.612928 (E_RNA)
where:
Base-Base interactions energy: -175.283
where: short stacking energy: -79.396
Base-Backbone interact. energy: -0.001
local terms energy: -88.328590
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -15.141
flat angles C4'-P-C4' energy: -18.638
flat angles P-C4'-P energy: -13.276
tors. eta vs tors. theta energy: -25.712
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: 2, replica: 2
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -245.860280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.860280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.860280 (E_RNA)
where:
Base-Base interactions energy: -158.600
where: short stacking energy: -69.712
Base-Backbone interact. energy: -0.029
local terms energy: -87.231749
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -19.023
flat angles C4'-P-C4' energy: -17.652
flat angles P-C4'-P energy: -13.882
tors. eta vs tors. theta energy: -18.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -255.588523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.588523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.588523 (E_RNA)
where:
Base-Base interactions energy: -169.872
where: short stacking energy: -81.713
Base-Backbone interact. energy: -0.078
local terms energy: -85.638636
where:
bonds (distance) C4'-P energy: -11.303
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -20.883
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -24.402
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: 4
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -244.423825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.423825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.423825 (E_RNA)
where:
Base-Base interactions energy: -157.867
where: short stacking energy: -79.814
Base-Backbone interact. energy: -0.096
local terms energy: -86.461533
where:
bonds (distance) C4'-P energy: -14.903
bonds (distance) P-C4' energy: -17.614
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -13.737
tors. eta vs tors. theta energy: -24.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -254.046276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.046276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.046276 (E_RNA)
where:
Base-Base interactions energy: -166.671
where: short stacking energy: -73.277
Base-Backbone interact. energy: -2.384
local terms energy: -84.990793
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -17.317
flat angles P-C4'-P energy: -15.737
tors. eta vs tors. theta energy: -24.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -214.407266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.407266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.407266 (E_RNA)
where:
Base-Base interactions energy: -139.050
where: short stacking energy: -68.398
Base-Backbone interact. energy: 2.314
local terms energy: -77.671388
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -15.990
flat angles C4'-P-C4' energy: -16.962
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -19.408
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: 7
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -110.408893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.408893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.408893 (E_RNA)
where:
Base-Base interactions energy: -49.211
where: short stacking energy: -22.193
Base-Backbone interact. energy: -0.110
local terms energy: -61.087805
where:
bonds (distance) C4'-P energy: -12.354
bonds (distance) P-C4' energy: -17.232
flat angles C4'-P-C4' energy: -10.673
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -8.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -97.783867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.783867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.783867 (E_RNA)
where:
Base-Base interactions energy: -33.317
where: short stacking energy: -33.317
Base-Backbone interact. energy: 0.034
local terms energy: -64.500519
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -12.905
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -5.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -92.761149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.761149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.761149 (E_RNA)
where:
Base-Base interactions energy: -34.403
where: short stacking energy: -19.377
Base-Backbone interact. energy: -0.211
local terms energy: -58.146672
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -14.009
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: -0.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -77.025890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.025890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.025890 (E_RNA)
where:
Base-Base interactions energy: -21.581
where: short stacking energy: -20.325
Base-Backbone interact. energy: -0.551
local terms energy: -54.894284
where:
bonds (distance) C4'-P energy: -17.072
bonds (distance) P-C4' energy: -17.794
flat angles C4'-P-C4' energy: -13.075
flat angles P-C4'-P energy: -7.970
tors. eta vs tors. theta energy: 1.016
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: 2
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -268.807112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.807112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.807112 (E_RNA)
where:
Base-Base interactions energy: -177.106
where: short stacking energy: -87.478
Base-Backbone interact. energy: 0.409
local terms energy: -92.109471
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -19.388
flat angles C4'-P-C4' energy: -17.687
flat angles P-C4'-P energy: -15.243
tors. eta vs tors. theta energy: -23.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -263.045341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.045341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.045341 (E_RNA)
where:
Base-Base interactions energy: -178.311
where: short stacking energy: -86.350
Base-Backbone interact. energy: -0.004
local terms energy: -84.729640
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -19.267
flat angles C4'-P-C4' energy: -19.854
flat angles P-C4'-P energy: -12.613
tors. eta vs tors. theta energy: -21.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -254.496980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.496980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.496980 (E_RNA)
where:
Base-Base interactions energy: -165.748
where: short stacking energy: -79.987
Base-Backbone interact. energy: -0.035
local terms energy: -88.714459
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -18.818
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -24.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -251.828085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.828085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.828085 (E_RNA)
where:
Base-Base interactions energy: -163.535
where: short stacking energy: -74.190
Base-Backbone interact. energy: -0.006
local terms energy: -88.287324
where:
bonds (distance) C4'-P energy: -16.778
bonds (distance) P-C4' energy: -17.357
flat angles C4'-P-C4' energy: -16.152
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -26.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -221.986980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.986980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.986980 (E_RNA)
where:
Base-Base interactions energy: -140.085
where: short stacking energy: -63.105
Base-Backbone interact. energy: -0.001
local terms energy: -81.900594
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -18.432
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -21.341
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: 6, replica: 6
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -241.151820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.151820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.151820 (E_RNA)
where:
Base-Base interactions energy: -156.147
where: short stacking energy: -75.137
Base-Backbone interact. energy: -0.086
local terms energy: -84.919562
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -17.798
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -24.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -104.743275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.743275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.743275 (E_RNA)
where:
Base-Base interactions energy: -33.093
where: short stacking energy: -33.093
Base-Backbone interact. energy: -0.011
local terms energy: -71.639401
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -13.005
tors. eta vs tors. theta energy: -6.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -93.359216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.359216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.359216 (E_RNA)
where:
Base-Base interactions energy: -32.341
where: short stacking energy: -32.341
Base-Backbone interact. energy: -0.028
local terms energy: -60.990389
where:
bonds (distance) C4'-P energy: -17.655
bonds (distance) P-C4' energy: -18.495
flat angles C4'-P-C4' energy: -11.506
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -4.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -93.110680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.110680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.110680 (E_RNA)
where:
Base-Base interactions energy: -32.348
where: short stacking energy: -31.535
Base-Backbone interact. energy: -0.250
local terms energy: -60.513121
where:
bonds (distance) C4'-P energy: -18.053
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -6.666
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: 8
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -79.596072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.596072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.596072 (E_RNA)
where:
Base-Base interactions energy: -26.508
where: short stacking energy: -18.764
Base-Backbone interact. energy: 0.788
local terms energy: -53.875597
where:
bonds (distance) C4'-P energy: -17.286
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -7.738
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: 339
Temperature: 0.900000
Total energy: -258.395779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.395779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.395779 (E_RNA)
where:
Base-Base interactions energy: -164.927
where: short stacking energy: -79.744
Base-Backbone interact. energy: -0.078
local terms energy: -93.391003
where:
bonds (distance) C4'-P energy: -20.313
bonds (distance) P-C4' energy: -18.442
flat angles C4'-P-C4' energy: -17.313
flat angles P-C4'-P energy: -12.790
tors. eta vs tors. theta energy: -24.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -250.734461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.734461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.734461 (E_RNA)
where:
Base-Base interactions energy: -168.063
where: short stacking energy: -77.472
Base-Backbone interact. energy: -0.027
local terms energy: -82.644291
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -17.268
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -11.449
tors. eta vs tors. theta energy: -28.409
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: 10
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -251.496857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.496857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.496857 (E_RNA)
where:
Base-Base interactions energy: -163.546
where: short stacking energy: -71.765
Base-Backbone interact. energy: -0.137
local terms energy: -87.813407
where:
bonds (distance) C4'-P energy: -14.245
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -20.316
flat angles P-C4'-P energy: -12.754
tors. eta vs tors. theta energy: -22.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -241.099665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.099665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.099665 (E_RNA)
where:
Base-Base interactions energy: -154.671
where: short stacking energy: -71.007
Base-Backbone interact. energy: -0.169
local terms energy: -86.259364
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -17.826
flat angles P-C4'-P energy: -14.293
tors. eta vs tors. theta energy: -23.323
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: 5, replica: 5
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -244.088055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.088055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.088055 (E_RNA)
where:
Base-Base interactions energy: -164.872
where: short stacking energy: -74.482
Base-Backbone interact. energy: -0.003
local terms energy: -79.213033
where:
bonds (distance) C4'-P energy: -17.799
bonds (distance) P-C4' energy: -10.920
flat angles C4'-P-C4' energy: -14.219
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -27.031
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: 6
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -242.889269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.889269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.889269 (E_RNA)
where:
Base-Base interactions energy: -170.024
where: short stacking energy: -82.370
Base-Backbone interact. energy: -0.005
local terms energy: -72.859829
where:
bonds (distance) C4'-P energy: -9.242
bonds (distance) P-C4' energy: -8.908
flat angles C4'-P-C4' energy: -18.035
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -24.116
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: 7
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -114.668580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.668580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.668580 (E_RNA)
where:
Base-Base interactions energy: -55.546
where: short stacking energy: -45.938
Base-Backbone interact. energy: -0.296
local terms energy: -58.826653
where:
bonds (distance) C4'-P energy: -9.889
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -9.873
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: 1
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -97.329919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.329919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.329919 (E_RNA)
where:
Base-Base interactions energy: -29.231
where: short stacking energy: -29.231
Base-Backbone interact. energy: -0.192
local terms energy: -67.907035
where:
bonds (distance) C4'-P energy: -10.823
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -18.571
flat angles P-C4'-P energy: -12.015
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: 9, replica: 3
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -77.527982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.527982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.527982 (E_RNA)
where:
Base-Base interactions energy: -37.921
where: short stacking energy: -26.745
Base-Backbone interact. energy: -0.349
local terms energy: -39.257594
where:
bonds (distance) C4'-P energy: -6.688
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -2.992
tors. eta vs tors. theta energy: -2.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -79.101290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.101290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.101290 (E_RNA)
where:
Base-Base interactions energy: -31.539
where: short stacking energy: -27.242
Base-Backbone interact. energy: -0.087
local terms energy: -47.475245
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -9.902
flat angles P-C4'-P energy: -4.383
tors. eta vs tors. theta energy: -4.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -251.055847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.055847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.055847 (E_RNA)
where:
Base-Base interactions energy: -167.859
where: short stacking energy: -67.506
Base-Backbone interact. energy: -0.114
local terms energy: -83.083500
where:
bonds (distance) C4'-P energy: -19.431
bonds (distance) P-C4' energy: -18.300
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -13.671
tors. eta vs tors. theta energy: -17.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -238.337382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.337382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.337382 (E_RNA)
where:
Base-Base interactions energy: -160.090
where: short stacking energy: -69.643
Base-Backbone interact. energy: 0.499
local terms energy: -78.745841
where:
bonds (distance) C4'-P energy: -18.102
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -12.420
tors. eta vs tors. theta energy: -18.534
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: 9
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -249.410664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.410664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.410664 (E_RNA)
where:
Base-Base interactions energy: -165.207
where: short stacking energy: -71.469
Base-Backbone interact. energy: -0.865
local terms energy: -83.339287
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -19.550
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: -21.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -251.683845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.683845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.683845 (E_RNA)
where:
Base-Base interactions energy: -164.846
where: short stacking energy: -84.614
Base-Backbone interact. energy: -0.050
local terms energy: -86.787464
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -19.915
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -25.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -245.039856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.039856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.039856 (E_RNA)
where:
Base-Base interactions energy: -165.241
where: short stacking energy: -75.624
Base-Backbone interact. energy: -0.151
local terms energy: -79.647667
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -18.032
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -24.309
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: 6
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -236.421275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.421275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.421275 (E_RNA)
where:
Base-Base interactions energy: -150.826
where: short stacking energy: -67.557
Base-Backbone interact. energy: -0.114
local terms energy: -85.480911
where:
bonds (distance) C4'-P energy: -18.349
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -15.836
flat angles P-C4'-P energy: -13.411
tors. eta vs tors. theta energy: -23.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -104.449228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.449228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.449228 (E_RNA)
where:
Base-Base interactions energy: -46.633
where: short stacking energy: -33.548
Base-Backbone interact. energy: -0.127
local terms energy: -57.688805
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -18.450
flat angles P-C4'-P energy: -2.085
tors. eta vs tors. theta energy: -6.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -94.106145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.106145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.106145 (E_RNA)
where:
Base-Base interactions energy: -49.479
where: short stacking energy: -32.430
Base-Backbone interact. energy: -1.440
local terms energy: -43.187006
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -10.475
flat angles C4'-P-C4' energy: -9.963
flat angles P-C4'-P energy: -4.952
tors. eta vs tors. theta energy: -0.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -90.364532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.364532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.364532 (E_RNA)
where:
Base-Base interactions energy: -39.644
where: short stacking energy: -27.967
Base-Backbone interact. energy: -0.306
local terms energy: -50.413897
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -6.845
flat angles P-C4'-P energy: -7.998
tors. eta vs tors. theta energy: -3.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -86.617093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.617093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.617093 (E_RNA)
where:
Base-Base interactions energy: -34.686
where: short stacking energy: -25.385
Base-Backbone interact. energy: -0.106
local terms energy: -51.825494
where:
bonds (distance) C4'-P energy: -15.611
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -3.877
tors. eta vs tors. theta energy: -4.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -249.389242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.389242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.389242 (E_RNA)
where:
Base-Base interactions energy: -160.853
where: short stacking energy: -65.987
Base-Backbone interact. energy: 1.910
local terms energy: -90.446486
where:
bonds (distance) C4'-P energy: -17.155
bonds (distance) P-C4' energy: -20.066
flat angles C4'-P-C4' energy: -19.363
flat angles P-C4'-P energy: -14.654
tors. eta vs tors. theta energy: -19.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -259.090986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.090986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.090986 (E_RNA)
where:
Base-Base interactions energy: -171.205
where: short stacking energy: -85.216
Base-Backbone interact. energy: -0.002
local terms energy: -87.883433
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -17.880
flat angles C4'-P-C4' energy: -17.583
flat angles P-C4'-P energy: -14.504
tors. eta vs tors. theta energy: -24.998
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: 9
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -252.306994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.306994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.306994 (E_RNA)
where:
Base-Base interactions energy: -171.682
where: short stacking energy: -79.498
Base-Backbone interact. energy: -0.166
local terms energy: -80.458280
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -26.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -239.140129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.140129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.140129 (E_RNA)
where:
Base-Base interactions energy: -161.463
where: short stacking energy: -77.201
Base-Backbone interact. energy: -0.106
local terms energy: -77.570616
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -23.293
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: 341
Temperature: 1.100000
Total energy: -237.370059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.370059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.370059 (E_RNA)
where:
Base-Base interactions energy: -155.192
where: short stacking energy: -71.535
Base-Backbone interact. energy: -0.026
local terms energy: -82.152653
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -16.954
flat angles C4'-P-C4' energy: -18.418
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -21.196
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: 6, replica: 6
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -222.964085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.964085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.964085 (E_RNA)
where:
Base-Base interactions energy: -144.024
where: short stacking energy: -64.861
Base-Backbone interact. energy: -0.161
local terms energy: -78.778653
where:
bonds (distance) C4'-P energy: -12.155
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -23.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -107.394359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.394359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.394359 (E_RNA)
where:
Base-Base interactions energy: -49.924
where: short stacking energy: -33.647
Base-Backbone interact. energy: -0.760
local terms energy: -56.710566
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -11.506
flat angles P-C4'-P energy: -11.832
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: 8
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -90.847783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.847783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.847783 (E_RNA)
where:
Base-Base interactions energy: -40.352
where: short stacking energy: -21.992
Base-Backbone interact. energy: -0.399
local terms energy: -50.096983
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -16.816
flat angles P-C4'-P energy: -4.364
tors. eta vs tors. theta energy: 0.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -77.819952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.819952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.819952 (E_RNA)
where:
Base-Base interactions energy: -25.716
where: short stacking energy: -24.560
Base-Backbone interact. energy: -0.671
local terms energy: -51.432898
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -15.327
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: 1.770
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: 341
Temperature: 1.350000
Total energy: -92.347487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.347487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.347487 (E_RNA)
where:
Base-Base interactions energy: -47.754
where: short stacking energy: -31.717
Base-Backbone interact. energy: 0.293
local terms energy: -44.886663
where:
bonds (distance) C4'-P energy: -14.593
bonds (distance) P-C4' energy: -11.369
flat angles C4'-P-C4' energy: -7.033
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -2.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -261.754900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.754900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.754900 (E_RNA)
where:
Base-Base interactions energy: -177.188
where: short stacking energy: -77.990
Base-Backbone interact. energy: -0.105
local terms energy: -84.461508
where:
bonds (distance) C4'-P energy: -17.069
bonds (distance) P-C4' energy: -16.711
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -8.242
tors. eta vs tors. theta energy: -23.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -243.723380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.723380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.723380 (E_RNA)
where:
Base-Base interactions energy: -161.666
where: short stacking energy: -65.306
Base-Backbone interact. energy: -0.218
local terms energy: -81.839979
where:
bonds (distance) C4'-P energy: -19.017
bonds (distance) P-C4' energy: -18.351
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -13.558
tors. eta vs tors. theta energy: -15.827
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: 5
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -246.369202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.369202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.369202 (E_RNA)
where:
Base-Base interactions energy: -162.739
where: short stacking energy: -72.998
Base-Backbone interact. energy: -0.009
local terms energy: -83.621541
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -16.461
flat angles P-C4'-P energy: -12.348
tors. eta vs tors. theta energy: -21.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -248.504229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.504229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.504229 (E_RNA)
where:
Base-Base interactions energy: -158.845
where: short stacking energy: -80.736
Base-Backbone interact. energy: -0.094
local terms energy: -89.565342
where:
bonds (distance) C4'-P energy: -17.704
bonds (distance) P-C4' energy: -13.830
flat angles C4'-P-C4' energy: -18.219
flat angles P-C4'-P energy: -13.726
tors. eta vs tors. theta energy: -26.085
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: 342
Temperature: 1.100000
Total energy: -243.336424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.336424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.336424 (E_RNA)
where:
Base-Base interactions energy: -158.464
where: short stacking energy: -74.655
Base-Backbone interact. energy: -0.065
local terms energy: -84.807756
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -17.024
flat angles C4'-P-C4' energy: -17.488
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -24.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -235.456466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.456466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.456466 (E_RNA)
where:
Base-Base interactions energy: -153.313
where: short stacking energy: -68.883
Base-Backbone interact. energy: -0.024
local terms energy: -82.119836
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -16.271
flat angles C4'-P-C4' energy: -20.159
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -19.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -93.735269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.735269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.735269 (E_RNA)
where:
Base-Base interactions energy: -34.174
where: short stacking energy: -27.402
Base-Backbone interact. energy: -0.189
local terms energy: -59.372742
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -19.274
flat angles P-C4'-P energy: -10.645
tors. eta vs tors. theta energy: -0.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -93.531260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.531260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.531260 (E_RNA)
where:
Base-Base interactions energy: -42.797
where: short stacking energy: -29.911
Base-Backbone interact. energy: -0.148
local terms energy: -50.586935
where:
bonds (distance) C4'-P energy: -10.879
bonds (distance) P-C4' energy: -19.781
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -4.776
tors. eta vs tors. theta energy: -1.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -90.190574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.190574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.190574 (E_RNA)
where:
Base-Base interactions energy: -30.766
where: short stacking energy: -30.766
Base-Backbone interact. energy: -0.404
local terms energy: -59.020739
where:
bonds (distance) C4'-P energy: -16.863
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -1.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -76.507439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.507439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.507439 (E_RNA)
where:
Base-Base interactions energy: -24.839
where: short stacking energy: -22.697
Base-Backbone interact. energy: -1.217
local terms energy: -50.450957
where:
bonds (distance) C4'-P energy: -18.515
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -4.060
tors. eta vs tors. theta energy: 2.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -263.982695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.982695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.982695 (E_RNA)
where:
Base-Base interactions energy: -168.665
where: short stacking energy: -79.349
Base-Backbone interact. energy: -0.010
local terms energy: -95.307923
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -19.012
flat angles C4'-P-C4' energy: -19.034
flat angles P-C4'-P energy: -14.205
tors. eta vs tors. theta energy: -26.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -253.288450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.288450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.288450 (E_RNA)
where:
Base-Base interactions energy: -165.236
where: short stacking energy: -76.026
Base-Backbone interact. energy: -0.145
local terms energy: -87.907343
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -19.770
flat angles C4'-P-C4' energy: -18.599
flat angles P-C4'-P energy: -11.709
tors. eta vs tors. theta energy: -21.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -242.518493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.518493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.518493 (E_RNA)
where:
Base-Base interactions energy: -160.152
where: short stacking energy: -72.501
Base-Backbone interact. energy: -0.455
local terms energy: -81.911421
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -17.407
flat angles C4'-P-C4' energy: -18.063
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -19.990
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: 343
Temperature: 1.050000
Total energy: -253.252018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.252018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.252018 (E_RNA)
where:
Base-Base interactions energy: -164.285
where: short stacking energy: -76.036
Base-Backbone interact. energy: -0.006
local terms energy: -88.960298
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -18.282
flat angles C4'-P-C4' energy: -17.542
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: -26.591
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: 6
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -231.883983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.883983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.883983 (E_RNA)
where:
Base-Base interactions energy: -160.041
where: short stacking energy: -74.527
Base-Backbone interact. energy: -0.093
local terms energy: -71.749656
where:
bonds (distance) C4'-P energy: -14.183
bonds (distance) P-C4' energy: -11.497
flat angles C4'-P-C4' energy: -12.563
flat angles P-C4'-P energy: -12.686
tors. eta vs tors. theta energy: -20.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -227.670967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.670967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.670967 (E_RNA)
where:
Base-Base interactions energy: -149.979
where: short stacking energy: -68.547
Base-Backbone interact. energy: 0.118
local terms energy: -77.810078
where:
bonds (distance) C4'-P energy: -11.131
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -17.116
flat angles P-C4'-P energy: -12.519
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: 7, replica: 1
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -94.261229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.261229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.261229 (E_RNA)
where:
Base-Base interactions energy: -42.590
where: short stacking energy: -36.167
Base-Backbone interact. energy: 0.057
local terms energy: -51.728744
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -0.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -93.039885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.039885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.039885 (E_RNA)
where:
Base-Base interactions energy: -44.395
where: short stacking energy: -33.735
Base-Backbone interact. energy: -0.697
local terms energy: -47.947871
where:
bonds (distance) C4'-P energy: -12.723
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -7.583
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -2.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -90.240026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.240026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.240026 (E_RNA)
where:
Base-Base interactions energy: -32.253
where: short stacking energy: -32.253
Base-Backbone interact. energy: -0.099
local terms energy: -57.887813
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -7.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -91.303883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.303883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.303883 (E_RNA)
where:
Base-Base interactions energy: -28.982
where: short stacking energy: -27.908
Base-Backbone interact. energy: -1.142
local terms energy: -61.179936
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -14.637
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -9.420
tors. eta vs tors. theta energy: -7.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -261.796692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.796692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.796692 (E_RNA)
where:
Base-Base interactions energy: -172.286
where: short stacking energy: -87.136
Base-Backbone interact. energy: -0.042
local terms energy: -89.469455
where:
bonds (distance) C4'-P energy: -20.187
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -18.048
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -27.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -247.461065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.461065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.461065 (E_RNA)
where:
Base-Base interactions energy: -153.083
where: short stacking energy: -72.035
Base-Backbone interact. energy: -0.075
local terms energy: -94.302846
where:
bonds (distance) C4'-P energy: -17.884
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -20.210
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -26.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -245.942536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.942536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.942536 (E_RNA)
where:
Base-Base interactions energy: -156.403
where: short stacking energy: -77.121
Base-Backbone interact. energy: 0.442
local terms energy: -89.982102
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -17.192
tors. eta vs tors. theta energy: -25.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -248.663720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.663720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.663720 (E_RNA)
where:
Base-Base interactions energy: -166.647
where: short stacking energy: -78.676
Base-Backbone interact. energy: -0.001
local terms energy: -82.015344
where:
bonds (distance) C4'-P energy: -16.869
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -23.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -221.261563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.261563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.261563 (E_RNA)
where:
Base-Base interactions energy: -143.278
where: short stacking energy: -71.474
Base-Backbone interact. energy: -0.454
local terms energy: -77.529960
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -15.192
flat angles P-C4'-P energy: -4.244
tors. eta vs tors. theta energy: -23.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -215.128399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.128399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.128399 (E_RNA)
where:
Base-Base interactions energy: -144.762
where: short stacking energy: -67.693
Base-Backbone interact. energy: -0.010
local terms energy: -70.356662
where:
bonds (distance) C4'-P energy: -9.905
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -12.144
tors. eta vs tors. theta energy: -20.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -98.359457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.359457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.359457 (E_RNA)
where:
Base-Base interactions energy: -35.887
where: short stacking energy: -23.329
Base-Backbone interact. energy: -0.643
local terms energy: -61.828697
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -14.954
tors. eta vs tors. theta energy: -1.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -88.644206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.644206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.644206 (E_RNA)
where:
Base-Base interactions energy: -30.653
where: short stacking energy: -23.635
Base-Backbone interact. energy: -0.064
local terms energy: -57.927976
where:
bonds (distance) C4'-P energy: -17.245
bonds (distance) P-C4' energy: -19.117
flat angles C4'-P-C4' energy: -7.646
flat angles P-C4'-P energy: -10.432
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: 8
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -93.513806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.513806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.513806 (E_RNA)
where:
Base-Base interactions energy: -35.639
where: short stacking energy: -35.639
Base-Backbone interact. energy: -0.183
local terms energy: -57.692072
where:
bonds (distance) C4'-P energy: -8.297
bonds (distance) P-C4' energy: -18.580
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -7.368
tors. eta vs tors. theta energy: -9.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -74.850901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.850901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.850901 (E_RNA)
where:
Base-Base interactions energy: -25.699
where: short stacking energy: -20.526
Base-Backbone interact. energy: 0.151
local terms energy: -49.303077
where:
bonds (distance) C4'-P energy: -15.931
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -12.784
flat angles P-C4'-P energy: -6.151
tors. eta vs tors. theta energy: -1.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -258.191141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.191141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.191141 (E_RNA)
where:
Base-Base interactions energy: -169.695
where: short stacking energy: -76.374
Base-Backbone interact. energy: -0.054
local terms energy: -88.442119
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -16.735
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: -25.154
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: 9
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -241.804958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.804958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.804958 (E_RNA)
where:
Base-Base interactions energy: -156.261
where: short stacking energy: -69.420
Base-Backbone interact. energy: -0.073
local terms energy: -85.471095
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -16.441
flat angles C4'-P-C4' energy: -18.740
flat angles P-C4'-P energy: -13.985
tors. eta vs tors. theta energy: -19.740
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: 4
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -228.732276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.732276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.732276 (E_RNA)
where:
Base-Base interactions energy: -150.256
where: short stacking energy: -75.164
Base-Backbone interact. energy: -0.034
local terms energy: -78.441968
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -11.480
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: 4, replica: 10
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -249.423006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.423006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.423006 (E_RNA)
where:
Base-Base interactions energy: -162.300
where: short stacking energy: -80.048
Base-Backbone interact. energy: -0.129
local terms energy: -86.994032
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -20.312
flat angles C4'-P-C4' energy: -19.050
flat angles P-C4'-P energy: -11.829
tors. eta vs tors. theta energy: -24.743
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: 5, replica: 5
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -243.146269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.146269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.146269 (E_RNA)
where:
Base-Base interactions energy: -163.460
where: short stacking energy: -75.370
Base-Backbone interact. energy: -0.014
local terms energy: -79.671745
where:
bonds (distance) C4'-P energy: -17.078
bonds (distance) P-C4' energy: -10.215
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -9.605
tors. eta vs tors. theta energy: -25.854
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: 345
Temperature: 1.150000
Total energy: -227.362954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.362954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.362954 (E_RNA)
where:
Base-Base interactions energy: -148.400
where: short stacking energy: -75.878
Base-Backbone interact. energy: -0.029
local terms energy: -78.933364
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -18.742
flat angles C4'-P-C4' energy: -17.083
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -19.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -99.082858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.082858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.082858 (E_RNA)
where:
Base-Base interactions energy: -41.399
where: short stacking energy: -37.426
Base-Backbone interact. energy: -0.628
local terms energy: -57.055587
where:
bonds (distance) C4'-P energy: -17.639
bonds (distance) P-C4' energy: -16.524
flat angles C4'-P-C4' energy: -12.516
flat angles P-C4'-P energy: -7.297
tors. eta vs tors. theta energy: -3.079
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: 8
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -91.489570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.489570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.489570 (E_RNA)
where:
Base-Base interactions energy: -28.339
where: short stacking energy: -26.195
Base-Backbone interact. energy: 1.136
local terms energy: -64.286115
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -18.259
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -6.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -138.463636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.463636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.463636 (E_RNA)
where:
Base-Base interactions energy: -74.905
where: short stacking energy: -35.520
Base-Backbone interact. energy: -0.478
local terms energy: -63.081186
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -12.357
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -8.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -79.940973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.940973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.940973 (E_RNA)
where:
Base-Base interactions energy: -22.713
where: short stacking energy: -18.766
Base-Backbone interact. energy: -0.241
local terms energy: -56.986968
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -10.487
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: -4.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -267.390855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.390855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.390855 (E_RNA)
where:
Base-Base interactions energy: -177.460
where: short stacking energy: -84.344
Base-Backbone interact. energy: -0.003
local terms energy: -89.928165
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -17.564
flat angles C4'-P-C4' energy: -18.409
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -26.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -243.535485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.535485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.535485 (E_RNA)
where:
Base-Base interactions energy: -155.567
where: short stacking energy: -80.387
Base-Backbone interact. energy: -0.084
local terms energy: -87.884296
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -20.104
flat angles C4'-P-C4' energy: -19.286
flat angles P-C4'-P energy: -13.396
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: 3, replica: 10
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -242.742542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.742542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.742542 (E_RNA)
where:
Base-Base interactions energy: -158.888
where: short stacking energy: -72.666
Base-Backbone interact. energy: -0.068
local terms energy: -83.786526
where:
bonds (distance) C4'-P energy: -17.432
bonds (distance) P-C4' energy: -18.670
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -22.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -229.214764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.214764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.214764 (E_RNA)
where:
Base-Base interactions energy: -148.365
where: short stacking energy: -72.807
Base-Backbone interact. energy: -0.074
local terms energy: -80.774903
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -16.910
flat angles C4'-P-C4' energy: -17.385
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -19.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -244.588223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.588223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.588223 (E_RNA)
where:
Base-Base interactions energy: -158.837
where: short stacking energy: -84.709
Base-Backbone interact. energy: -0.070
local terms energy: -85.681840
where:
bonds (distance) C4'-P energy: -17.170
bonds (distance) P-C4' energy: -16.229
flat angles C4'-P-C4' energy: -19.260
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -22.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -204.683998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.683998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.683998 (E_RNA)
where:
Base-Base interactions energy: -128.947
where: short stacking energy: -63.941
Base-Backbone interact. energy: 0.132
local terms energy: -75.869132
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -13.641
flat angles C4'-P-C4' energy: -16.257
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -19.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -121.841218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.841218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.841218 (E_RNA)
where:
Base-Base interactions energy: -57.642
where: short stacking energy: -30.604
Base-Backbone interact. energy: -0.002
local terms energy: -64.196929
where:
bonds (distance) C4'-P energy: -16.463
bonds (distance) P-C4' energy: -16.928
flat angles C4'-P-C4' energy: -12.623
flat angles P-C4'-P energy: -11.170
tors. eta vs tors. theta energy: -7.013
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: 8, replica: 3
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -113.230526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.230526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.230526 (E_RNA)
where:
Base-Base interactions energy: -55.487
where: short stacking energy: -43.271
Base-Backbone interact. energy: -0.166
local terms energy: -57.577312
where:
bonds (distance) C4'-P energy: -11.941
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -13.335
flat angles P-C4'-P energy: -9.963
tors. eta vs tors. theta energy: -6.856
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: 1
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -174.338758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.338758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.338758 (E_RNA)
where:
Base-Base interactions energy: -115.118
where: short stacking energy: -46.348
Base-Backbone interact. energy: -0.356
local terms energy: -58.864984
where:
bonds (distance) C4'-P energy: -4.482
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -18.210
flat angles P-C4'-P energy: -7.041
tors. eta vs tors. theta energy: -15.886
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: 7
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -89.048582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.048582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.048582 (E_RNA)
where:
Base-Base interactions energy: -43.860
where: short stacking energy: -30.119
Base-Backbone interact. energy: -0.214
local terms energy: -44.974939
where:
bonds (distance) C4'-P energy: -10.684
bonds (distance) P-C4' energy: -15.193
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -2.528
tors. eta vs tors. theta energy: 0.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -264.878782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.878782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.878782 (E_RNA)
where:
Base-Base interactions energy: -179.742
where: short stacking energy: -90.968
Base-Backbone interact. energy: -0.004
local terms energy: -85.132508
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -18.089
flat angles C4'-P-C4' energy: -18.581
flat angles P-C4'-P energy: -9.049
tors. eta vs tors. theta energy: -25.980
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: 10
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -259.413262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.413262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.413262 (E_RNA)
where:
Base-Base interactions energy: -166.565
where: short stacking energy: -79.182
Base-Backbone interact. energy: 1.230
local terms energy: -94.078824
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -19.203
flat angles C4'-P-C4' energy: -18.923
flat angles P-C4'-P energy: -15.572
tors. eta vs tors. theta energy: -23.544
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: 9
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -248.505725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.505725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.505725 (E_RNA)
where:
Base-Base interactions energy: -165.506
where: short stacking energy: -67.807
Base-Backbone interact. energy: -0.677
local terms energy: -82.322813
where:
bonds (distance) C4'-P energy: -18.271
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -18.369
flat angles P-C4'-P energy: -12.768
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: 4, replica: 5
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -233.715213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.715213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.715213 (E_RNA)
where:
Base-Base interactions energy: -150.232
where: short stacking energy: -73.284
Base-Backbone interact. energy: -0.059
local terms energy: -83.424570
where:
bonds (distance) C4'-P energy: -19.505
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -17.676
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -21.947
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: 347
Temperature: 1.100000
Total energy: -214.226934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.226934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.226934 (E_RNA)
where:
Base-Base interactions energy: -139.465
where: short stacking energy: -61.587
Base-Backbone interact. energy: -0.090
local terms energy: -74.671893
where:
bonds (distance) C4'-P energy: -12.042
bonds (distance) P-C4' energy: -18.749
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -18.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -226.435240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.435240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.435240 (E_RNA)
where:
Base-Base interactions energy: -141.496
where: short stacking energy: -70.185
Base-Backbone interact. energy: -0.785
local terms energy: -84.154512
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -19.685
flat angles C4'-P-C4' energy: -18.224
flat angles P-C4'-P energy: -11.152
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: 7, replica: 8
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -150.095157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.095157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.095157 (E_RNA)
where:
Base-Base interactions energy: -83.517
where: short stacking energy: -40.580
Base-Backbone interact. energy: -0.746
local terms energy: -65.832324
where:
bonds (distance) C4'-P energy: -20.618
bonds (distance) P-C4' energy: -13.210
flat angles C4'-P-C4' energy: -12.092
flat angles P-C4'-P energy: -12.002
tors. eta vs tors. theta energy: -7.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -195.548931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.548931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.548931 (E_RNA)
where:
Base-Base interactions energy: -118.283
where: short stacking energy: -50.382
Base-Backbone interact. energy: -0.013
local terms energy: -77.253175
where:
bonds (distance) C4'-P energy: -17.450
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -17.174
flat angles P-C4'-P energy: -11.482
tors. eta vs tors. theta energy: -15.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -82.192952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.192952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.192952 (E_RNA)
where:
Base-Base interactions energy: -31.929
where: short stacking energy: -27.684
Base-Backbone interact. energy: -0.672
local terms energy: -49.591644
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -11.885
flat angles C4'-P-C4' energy: -17.265
flat angles P-C4'-P energy: -7.613
tors. eta vs tors. theta energy: 2.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -83.718472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.718472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.718472 (E_RNA)
where:
Base-Base interactions energy: -37.703
where: short stacking energy: -21.881
Base-Backbone interact. energy: -1.206
local terms energy: -44.809935
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -15.618
flat angles C4'-P-C4' energy: -11.299
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: 3.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -265.233747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.233747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.233747 (E_RNA)
where:
Base-Base interactions energy: -174.246
where: short stacking energy: -77.137
Base-Backbone interact. energy: -0.920
local terms energy: -90.067716
where:
bonds (distance) C4'-P energy: -17.680
bonds (distance) P-C4' energy: -19.629
flat angles C4'-P-C4' energy: -18.008
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -24.718
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: 348
Temperature: 0.950000
Total energy: -262.537603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.537603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.537603 (E_RNA)
where:
Base-Base interactions energy: -173.115
where: short stacking energy: -83.506
Base-Backbone interact. energy: -0.053
local terms energy: -89.370077
where:
bonds (distance) C4'-P energy: -16.476
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -16.578
tors. eta vs tors. theta energy: -24.764
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: 9
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -252.059287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.059287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.059287 (E_RNA)
where:
Base-Base interactions energy: -161.965
where: short stacking energy: -78.708
Base-Backbone interact. energy: -0.119
local terms energy: -89.975964
where:
bonds (distance) C4'-P energy: -20.259
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -16.759
flat angles P-C4'-P energy: -14.517
tors. eta vs tors. theta energy: -19.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -232.034756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.034756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.034756 (E_RNA)
where:
Base-Base interactions energy: -156.187
where: short stacking energy: -67.368
Base-Backbone interact. energy: -0.301
local terms energy: -75.546863
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -17.536
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -18.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -236.147993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.147993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.147993 (E_RNA)
where:
Base-Base interactions energy: -154.206
where: short stacking energy: -80.111
Base-Backbone interact. energy: 0.476
local terms energy: -82.417971
where:
bonds (distance) C4'-P energy: -17.453
bonds (distance) P-C4' energy: -10.720
flat angles C4'-P-C4' energy: -16.579
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -26.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -226.817352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.817352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.817352 (E_RNA)
where:
Base-Base interactions energy: -147.567
where: short stacking energy: -66.218
Base-Backbone interact. energy: -0.028
local terms energy: -79.221486
where:
bonds (distance) C4'-P energy: -15.400
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -18.023
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -15.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -199.627168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.627168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.627168 (E_RNA)
where:
Base-Base interactions energy: -130.296
where: short stacking energy: -61.192
Base-Backbone interact. energy: -0.063
local terms energy: -69.268487
where:
bonds (distance) C4'-P energy: -17.995
bonds (distance) P-C4' energy: -12.220
flat angles C4'-P-C4' energy: -10.071
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -17.117
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: 8
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -109.201726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.201726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.201726 (E_RNA)
where:
Base-Base interactions energy: -52.220
where: short stacking energy: -46.292
Base-Backbone interact. energy: -0.099
local terms energy: -56.882403
where:
bonds (distance) C4'-P energy: -15.497
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -11.146
flat angles P-C4'-P energy: -3.631
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: 9, replica: 3
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -87.505515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.505515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.505515 (E_RNA)
where:
Base-Base interactions energy: -30.323
where: short stacking energy: -30.323
Base-Backbone interact. energy: -0.340
local terms energy: -56.842603
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -19.006
flat angles C4'-P-C4' energy: -3.873
flat angles P-C4'-P energy: -13.340
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: 10, replica: 7
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -90.046920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.046920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.046920 (E_RNA)
where:
Base-Base interactions energy: -31.162
where: short stacking energy: -27.949
Base-Backbone interact. energy: 2.104
local terms energy: -60.988888
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -18.584
flat angles C4'-P-C4' energy: -12.576
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: -5.396
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: 10
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -267.548874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.548874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.548874 (E_RNA)
where:
Base-Base interactions energy: -174.634
where: short stacking energy: -79.008
Base-Backbone interact. energy: -0.033
local terms energy: -92.882309
where:
bonds (distance) C4'-P energy: -19.041
bonds (distance) P-C4' energy: -19.274
flat angles C4'-P-C4' energy: -17.822
flat angles P-C4'-P energy: -11.778
tors. eta vs tors. theta energy: -24.967
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: 9
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -258.415788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.415788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.415788 (E_RNA)
where:
Base-Base interactions energy: -174.363
where: short stacking energy: -72.055
Base-Backbone interact. energy: -0.005
local terms energy: -84.047447
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: -25.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -254.156553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.156553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.156553 (E_RNA)
where:
Base-Base interactions energy: -163.502
where: short stacking energy: -73.907
Base-Backbone interact. energy: -0.004
local terms energy: -90.650040
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -18.685
flat angles P-C4'-P energy: -12.906
tors. eta vs tors. theta energy: -25.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -236.136505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.136505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.136505 (E_RNA)
where:
Base-Base interactions energy: -152.691
where: short stacking energy: -67.034
Base-Backbone interact. energy: -0.043
local terms energy: -83.402420
where:
bonds (distance) C4'-P energy: -16.526
bonds (distance) P-C4' energy: -17.811
flat angles C4'-P-C4' energy: -18.966
flat angles P-C4'-P energy: -11.640
tors. eta vs tors. theta energy: -18.460
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: 5, replica: 5
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -231.526875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.526875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.526875 (E_RNA)
where:
Base-Base interactions energy: -165.354
where: short stacking energy: -74.752
Base-Backbone interact. energy: -0.181
local terms energy: -65.992081
where:
bonds (distance) C4'-P energy: -8.248
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -18.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -245.002330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.002330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.002330 (E_RNA)
where:
Base-Base interactions energy: -158.059
where: short stacking energy: -75.202
Base-Backbone interact. energy: -0.073
local terms energy: -86.870170
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -18.189
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -22.536
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: 1
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -200.176724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.176724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.176724 (E_RNA)
where:
Base-Base interactions energy: -128.796
where: short stacking energy: -66.968
Base-Backbone interact. energy: 0.143
local terms energy: -71.524369
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -12.030
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -10.467
tors. eta vs tors. theta energy: -17.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -98.931636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.931636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.931636 (E_RNA)
where:
Base-Base interactions energy: -41.274
where: short stacking energy: -41.274
Base-Backbone interact. energy: -0.731
local terms energy: -56.926348
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -15.162
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -5.595
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: 8
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -89.705420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.705420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.705420 (E_RNA)
where:
Base-Base interactions energy: -31.713
where: short stacking energy: -31.638
Base-Backbone interact. energy: -0.343
local terms energy: -57.649567
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -17.514
flat angles C4'-P-C4' energy: -12.880
flat angles P-C4'-P energy: -8.608
tors. eta vs tors. theta energy: -2.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -97.225877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.225877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.225877 (E_RNA)
where:
Base-Base interactions energy: -30.156
where: short stacking energy: -27.300
Base-Backbone interact. energy: -0.246
local terms energy: -66.823272
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -18.589
flat angles C4'-P-C4' energy: -15.313
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -8.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -266.117929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.117929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.117929 (E_RNA)
where:
Base-Base interactions energy: -176.005
where: short stacking energy: -80.283
Base-Backbone interact. energy: -0.067
local terms energy: -90.046311
where:
bonds (distance) C4'-P energy: -18.201
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -19.103
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -24.552
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: 9
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -259.457565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.457565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.457565 (E_RNA)
where:
Base-Base interactions energy: -171.260
where: short stacking energy: -80.124
Base-Backbone interact. energy: -0.267
local terms energy: -87.931049
where:
bonds (distance) C4'-P energy: -17.530
bonds (distance) P-C4' energy: -13.382
flat angles C4'-P-C4' energy: -19.357
flat angles P-C4'-P energy: -13.541
tors. eta vs tors. theta energy: -24.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -254.288885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.288885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.288885 (E_RNA)
where:
Base-Base interactions energy: -165.531
where: short stacking energy: -77.897
Base-Backbone interact. energy: -0.122
local terms energy: -88.636292
where:
bonds (distance) C4'-P energy: -16.601
bonds (distance) P-C4' energy: -18.496
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -13.189
tors. eta vs tors. theta energy: -24.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -251.719417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.719417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.719417 (E_RNA)
where:
Base-Base interactions energy: -167.350
where: short stacking energy: -83.777
Base-Backbone interact. energy: -0.004
local terms energy: -84.366258
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -14.788
flat angles C4'-P-C4' energy: -17.173
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -27.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -226.754391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.754391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.754391 (E_RNA)
where:
Base-Base interactions energy: -154.368
where: short stacking energy: -61.650
Base-Backbone interact. energy: -0.101
local terms energy: -72.284994
where:
bonds (distance) C4'-P energy: -11.466
bonds (distance) P-C4' energy: -10.158
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -12.493
tors. eta vs tors. theta energy: -22.321
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: 6, replica: 5
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -246.283036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.283036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.283036 (E_RNA)
where:
Base-Base interactions energy: -166.090
where: short stacking energy: -74.720
Base-Backbone interact. energy: -0.235
local terms energy: -79.957842
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -10.456
flat angles P-C4'-P energy: -14.144
tors. eta vs tors. theta energy: -22.325
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: 1
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -222.142543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.142543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.142543 (E_RNA)
where:
Base-Base interactions energy: -150.942
where: short stacking energy: -74.461
Base-Backbone interact. energy: -0.329
local terms energy: -70.871715
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -7.837
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: 8, replica: 3
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -89.654956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.654956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.654956 (E_RNA)
where:
Base-Base interactions energy: -34.361
where: short stacking energy: -34.361
Base-Backbone interact. energy: 0.857
local terms energy: -56.151625
where:
bonds (distance) C4'-P energy: -11.324
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -6.979
tors. eta vs tors. theta energy: -5.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -79.825530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.825530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.825530 (E_RNA)
where:
Base-Base interactions energy: -33.189
where: short stacking energy: -29.017
Base-Backbone interact. energy: 0.073
local terms energy: -46.709420
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -15.111
flat angles C4'-P-C4' energy: -5.861
flat angles P-C4'-P energy: -12.237
tors. eta vs tors. theta energy: -2.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -79.336872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.336872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.336872 (E_RNA)
where:
Base-Base interactions energy: -18.242
where: short stacking energy: -16.290
Base-Backbone interact. energy: -0.286
local terms energy: -60.808784
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -19.017
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -11.161
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: 10
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -258.102923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.102923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.102923 (E_RNA)
where:
Base-Base interactions energy: -176.346
where: short stacking energy: -74.649
Base-Backbone interact. energy: 0.204
local terms energy: -81.960730
where:
bonds (distance) C4'-P energy: -16.050
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -15.090
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -23.381
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: 2, replica: 4
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -253.684232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.684232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.684232 (E_RNA)
where:
Base-Base interactions energy: -166.366
where: short stacking energy: -73.372
Base-Backbone interact. energy: -0.021
local terms energy: -87.297187
where:
bonds (distance) C4'-P energy: -18.102
bonds (distance) P-C4' energy: -16.648
flat angles C4'-P-C4' energy: -15.474
flat angles P-C4'-P energy: -14.778
tors. eta vs tors. theta energy: -22.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -246.289010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.289010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.289010 (E_RNA)
where:
Base-Base interactions energy: -162.922
where: short stacking energy: -72.302
Base-Backbone interact. energy: -0.156
local terms energy: -83.211483
where:
bonds (distance) C4'-P energy: -19.473
bonds (distance) P-C4' energy: -16.239
flat angles C4'-P-C4' energy: -12.717
flat angles P-C4'-P energy: -14.298
tors. eta vs tors. theta energy: -20.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -238.064277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.064277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.064277 (E_RNA)
where:
Base-Base interactions energy: -154.386
where: short stacking energy: -70.332
Base-Backbone interact. energy: -0.008
local terms energy: -83.670134
where:
bonds (distance) C4'-P energy: -20.081
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -13.138
tors. eta vs tors. theta energy: -20.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -240.558726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.558726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.558726 (E_RNA)
where:
Base-Base interactions energy: -153.156
where: short stacking energy: -69.883
Base-Backbone interact. energy: -0.008
local terms energy: -87.394360
where:
bonds (distance) C4'-P energy: -17.122
bonds (distance) P-C4' energy: -14.820
flat angles C4'-P-C4' energy: -19.690
flat angles P-C4'-P energy: -14.853
tors. eta vs tors. theta energy: -20.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -225.163889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.163889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.163889 (E_RNA)
where:
Base-Base interactions energy: -160.416
where: short stacking energy: -63.982
Base-Backbone interact. energy: 0.242
local terms energy: -64.990307
where:
bonds (distance) C4'-P energy: -5.619
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -12.845
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: 7, replica: 5
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -206.881814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.881814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.881814 (E_RNA)
where:
Base-Base interactions energy: -137.664
where: short stacking energy: -62.534
Base-Backbone interact. energy: -0.026
local terms energy: -69.192070
where:
bonds (distance) C4'-P energy: -14.531
bonds (distance) P-C4' energy: -12.527
flat angles C4'-P-C4' energy: -12.754
flat angles P-C4'-P energy: -7.961
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: 8, replica: 7
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -82.027184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.027184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.027184 (E_RNA)
where:
Base-Base interactions energy: -30.909
where: short stacking energy: -30.909
Base-Backbone interact. energy: -0.163
local terms energy: -50.955834
where:
bonds (distance) C4'-P energy: -11.628
bonds (distance) P-C4' energy: -9.036
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -14.148
tors. eta vs tors. theta energy: -2.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -96.191357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.191357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.191357 (E_RNA)
where:
Base-Base interactions energy: -48.436
where: short stacking energy: -15.025
Base-Backbone interact. energy: -0.292
local terms energy: -47.463205
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -19.162
flat angles C4'-P-C4' energy: -13.644
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: 6.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -83.677203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.677203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.677203 (E_RNA)
where:
Base-Base interactions energy: -27.676
where: short stacking energy: -10.479
Base-Backbone interact. energy: -0.255
local terms energy: -55.745367
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -1.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -261.814649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.814649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.814649 (E_RNA)
where:
Base-Base interactions energy: -173.113
where: short stacking energy: -77.953
Base-Backbone interact. energy: -0.119
local terms energy: -88.581879
where:
bonds (distance) C4'-P energy: -16.902
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -26.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -241.205813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.205813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.205813 (E_RNA)
where:
Base-Base interactions energy: -156.105
where: short stacking energy: -83.131
Base-Backbone interact. energy: -0.004
local terms energy: -85.096314
where:
bonds (distance) C4'-P energy: -17.466
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -20.036
flat angles P-C4'-P energy: -13.271
tors. eta vs tors. theta energy: -19.006
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: 3, replica: 6
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -248.663820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.663820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.663820 (E_RNA)
where:
Base-Base interactions energy: -172.419
where: short stacking energy: -79.372
Base-Backbone interact. energy: -0.069
local terms energy: -76.175389
where:
bonds (distance) C4'-P energy: -9.712
bonds (distance) P-C4' energy: -16.975
flat angles C4'-P-C4' energy: -15.355
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: -21.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -236.049819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.049819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.049819 (E_RNA)
where:
Base-Base interactions energy: -158.087
where: short stacking energy: -77.598
Base-Backbone interact. energy: -0.005
local terms energy: -77.958383
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -7.174
tors. eta vs tors. theta energy: -25.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -227.198222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.198222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.198222 (E_RNA)
where:
Base-Base interactions energy: -151.747
where: short stacking energy: -64.476
Base-Backbone interact. energy: -0.026
local terms energy: -75.425345
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -6.997
tors. eta vs tors. theta energy: -21.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -201.340654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.340654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.340654 (E_RNA)
where:
Base-Base interactions energy: -121.006
where: short stacking energy: -59.986
Base-Backbone interact. energy: -0.318
local terms energy: -80.016480
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -18.094
flat angles C4'-P-C4' energy: -16.794
flat angles P-C4'-P energy: -14.722
tors. eta vs tors. theta energy: -17.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -214.594573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.594573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.594573 (E_RNA)
where:
Base-Base interactions energy: -144.723
where: short stacking energy: -69.670
Base-Backbone interact. energy: 0.174
local terms energy: -70.046137
where:
bonds (distance) C4'-P energy: -10.982
bonds (distance) P-C4' energy: -19.101
flat angles C4'-P-C4' energy: -16.832
flat angles P-C4'-P energy: -7.035
tors. eta vs tors. theta energy: -16.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -93.570500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.570500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.570500 (E_RNA)
where:
Base-Base interactions energy: -25.290
where: short stacking energy: -25.290
Base-Backbone interact. energy: -0.142
local terms energy: -68.138819
where:
bonds (distance) C4'-P energy: -17.507
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -16.964
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -4.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -78.816391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.816391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.816391 (E_RNA)
where:
Base-Base interactions energy: -32.893
where: short stacking energy: -32.107
Base-Backbone interact. energy: -0.382
local terms energy: -45.541685
where:
bonds (distance) C4'-P energy: -11.874
bonds (distance) P-C4' energy: -16.953
flat angles C4'-P-C4' energy: -11.612
flat angles P-C4'-P energy: -6.795
tors. eta vs tors. theta energy: 1.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -78.139875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.139875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.139875 (E_RNA)
where:
Base-Base interactions energy: -19.014
where: short stacking energy: -18.750
Base-Backbone interact. energy: -0.034
local terms energy: -59.092210
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -17.712
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -6.687
tors. eta vs tors. theta energy: -4.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -262.022430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.022430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.022430 (E_RNA)
where:
Base-Base interactions energy: -169.567
where: short stacking energy: -79.830
Base-Backbone interact. energy: -0.338
local terms energy: -92.117888
where:
bonds (distance) C4'-P energy: -19.149
bonds (distance) P-C4' energy: -15.518
flat angles C4'-P-C4' energy: -18.997
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: -27.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -259.086502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.086502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.086502 (E_RNA)
where:
Base-Base interactions energy: -173.969
where: short stacking energy: -82.673
Base-Backbone interact. energy: -0.152
local terms energy: -84.965489
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -18.739
flat angles P-C4'-P energy: -12.876
tors. eta vs tors. theta energy: -23.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -249.301317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.301317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.301317 (E_RNA)
where:
Base-Base interactions energy: -160.868
where: short stacking energy: -78.780
Base-Backbone interact. energy: -0.027
local terms energy: -88.406299
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -16.997
flat angles C4'-P-C4' energy: -18.216
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -25.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -250.931463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.931463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.931463 (E_RNA)
where:
Base-Base interactions energy: -168.241
where: short stacking energy: -81.849
Base-Backbone interact. energy: -0.089
local terms energy: -82.601871
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -17.391
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -12.244
tors. eta vs tors. theta energy: -25.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -232.062514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.062514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.062514 (E_RNA)
where:
Base-Base interactions energy: -151.383
where: short stacking energy: -71.042
Base-Backbone interact. energy: -0.728
local terms energy: -79.951785
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -20.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -209.891175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.891175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.891175 (E_RNA)
where:
Base-Base interactions energy: -134.075
where: short stacking energy: -65.947
Base-Backbone interact. energy: -0.634
local terms energy: -75.181646
where:
bonds (distance) C4'-P energy: -13.603
bonds (distance) P-C4' energy: -14.686
flat angles C4'-P-C4' energy: -17.958
flat angles P-C4'-P energy: -9.583
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: 7, replica: 1
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -198.225963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.225963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.225963 (E_RNA)
where:
Base-Base interactions energy: -130.561
where: short stacking energy: -60.138
Base-Backbone interact. energy: 2.016
local terms energy: -69.680687
where:
bonds (distance) C4'-P energy: -16.352
bonds (distance) P-C4' energy: -12.542
flat angles C4'-P-C4' energy: -15.836
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -16.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -96.041419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.041419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.041419 (E_RNA)
where:
Base-Base interactions energy: -36.226
where: short stacking energy: -36.226
Base-Backbone interact. energy: -1.000
local terms energy: -58.816046
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -6.429
tors. eta vs tors. theta energy: -7.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -92.750078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.750078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.750078 (E_RNA)
where:
Base-Base interactions energy: -30.756
where: short stacking energy: -27.999
Base-Backbone interact. energy: -0.045
local terms energy: -61.948884
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -9.382
flat angles P-C4'-P energy: -12.457
tors. eta vs tors. theta energy: -6.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -84.794719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.794719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.794719 (E_RNA)
where:
Base-Base interactions energy: -23.057
where: short stacking energy: -23.057
Base-Backbone interact. energy: -0.409
local terms energy: -61.328779
where:
bonds (distance) C4'-P energy: -18.437
bonds (distance) P-C4' energy: -11.769
flat angles C4'-P-C4' energy: -13.370
flat angles P-C4'-P energy: -12.901
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: 6
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -266.700485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.700485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.700485 (E_RNA)
where:
Base-Base interactions energy: -172.190
where: short stacking energy: -84.639
Base-Backbone interact. energy: -0.018
local terms energy: -94.492423
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -19.632
flat angles C4'-P-C4' energy: -19.546
flat angles P-C4'-P energy: -14.295
tors. eta vs tors. theta energy: -25.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -255.986936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.986936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.986936 (E_RNA)
where:
Base-Base interactions energy: -173.977
where: short stacking energy: -77.030
Base-Backbone interact. energy: -0.701
local terms energy: -81.309028
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -19.812
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -22.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -252.111551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.111551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.111551 (E_RNA)
where:
Base-Base interactions energy: -163.193
where: short stacking energy: -74.747
Base-Backbone interact. energy: -0.102
local terms energy: -88.817055
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -15.756
tors. eta vs tors. theta energy: -28.001
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: 4
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -241.985769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.985769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.985769 (E_RNA)
where:
Base-Base interactions energy: -157.265
where: short stacking energy: -69.360
Base-Backbone interact. energy: -0.096
local terms energy: -84.625306
where:
bonds (distance) C4'-P energy: -18.343
bonds (distance) P-C4' energy: -17.769
flat angles C4'-P-C4' energy: -16.794
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -21.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -209.545582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.545582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.545582 (E_RNA)
where:
Base-Base interactions energy: -129.390
where: short stacking energy: -58.653
Base-Backbone interact. energy: -0.019
local terms energy: -80.136197
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -18.828
flat angles P-C4'-P energy: -10.395
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: 6, replica: 2
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -206.568226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.568226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.568226 (E_RNA)
where:
Base-Base interactions energy: -133.185
where: short stacking energy: -52.864
Base-Backbone interact. energy: -0.071
local terms energy: -73.311404
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -18.571
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -17.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -176.591793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.591793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.591793 (E_RNA)
where:
Base-Base interactions energy: -117.318
where: short stacking energy: -53.316
Base-Backbone interact. energy: -0.184
local terms energy: -59.089406
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -9.328
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -10.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -96.032515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.032515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.032515 (E_RNA)
where:
Base-Base interactions energy: -42.633
where: short stacking energy: -22.555
Base-Backbone interact. energy: -0.252
local terms energy: -53.147040
where:
bonds (distance) C4'-P energy: -13.178
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -11.344
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -0.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -96.889427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.889427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.889427 (E_RNA)
where:
Base-Base interactions energy: -33.311
where: short stacking energy: -33.047
Base-Backbone interact. energy: -0.000
local terms energy: -63.578110
where:
bonds (distance) C4'-P energy: -9.646
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -17.826
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -9.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -86.732175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.732175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.732175 (E_RNA)
where:
Base-Base interactions energy: -32.490
where: short stacking energy: -27.254
Base-Backbone interact. energy: -0.218
local terms energy: -54.024144
where:
bonds (distance) C4'-P energy: -17.717
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -14.764
flat angles P-C4'-P energy: -6.317
tors. eta vs tors. theta energy: 0.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -269.115480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.115480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.115480 (E_RNA)
where:
Base-Base interactions energy: -176.798
where: short stacking energy: -86.060
Base-Backbone interact. energy: -0.020
local terms energy: -92.297256
where:
bonds (distance) C4'-P energy: -18.193
bonds (distance) P-C4' energy: -16.923
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -13.503
tors. eta vs tors. theta energy: -27.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -262.632738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.632738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.632738 (E_RNA)
where:
Base-Base interactions energy: -174.229
where: short stacking energy: -80.682
Base-Backbone interact. energy: -0.047
local terms energy: -88.356892
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -19.908
flat angles P-C4'-P energy: -10.650
tors. eta vs tors. theta energy: -23.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -242.397604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.397604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.397604 (E_RNA)
where:
Base-Base interactions energy: -153.538
where: short stacking energy: -78.526
Base-Backbone interact. energy: -0.004
local terms energy: -88.856180
where:
bonds (distance) C4'-P energy: -16.988
bonds (distance) P-C4' energy: -17.457
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -14.746
tors. eta vs tors. theta energy: -25.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -233.833249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.833249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.833249 (E_RNA)
where:
Base-Base interactions energy: -148.354
where: short stacking energy: -65.261
Base-Backbone interact. energy: -0.041
local terms energy: -85.438357
where:
bonds (distance) C4'-P energy: -17.427
bonds (distance) P-C4' energy: -17.376
flat angles C4'-P-C4' energy: -18.244
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -21.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -232.133970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.133970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.133970 (E_RNA)
where:
Base-Base interactions energy: -147.208
where: short stacking energy: -63.598
Base-Backbone interact. energy: -0.589
local terms energy: -84.337563
where:
bonds (distance) C4'-P energy: -19.202
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -17.835
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -21.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -208.337081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.337081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.337081 (E_RNA)
where:
Base-Base interactions energy: -133.387
where: short stacking energy: -64.938
Base-Backbone interact. energy: -0.255
local terms energy: -74.694285
where:
bonds (distance) C4'-P energy: -15.234
bonds (distance) P-C4' energy: -16.469
flat angles C4'-P-C4' energy: -18.818
flat angles P-C4'-P energy: -8.234
tors. eta vs tors. theta energy: -15.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -199.945100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.945100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.945100 (E_RNA)
where:
Base-Base interactions energy: -127.647
where: short stacking energy: -53.519
Base-Backbone interact. energy: -0.103
local terms energy: -72.195423
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -15.760
flat angles C4'-P-C4' energy: -17.967
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -16.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -101.447623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.447623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.447623 (E_RNA)
where:
Base-Base interactions energy: -40.988
where: short stacking energy: -40.988
Base-Backbone interact. energy: -0.128
local terms energy: -60.331535
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -14.301
flat angles C4'-P-C4' energy: -12.968
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -11.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -93.982134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.982134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.982134 (E_RNA)
where:
Base-Base interactions energy: -36.205
where: short stacking energy: -27.300
Base-Backbone interact. energy: -0.660
local terms energy: -57.116980
where:
bonds (distance) C4'-P energy: -14.932
bonds (distance) P-C4' energy: -18.355
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -8.360
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: 10, replica: 7
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -100.512514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.512514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.512514 (E_RNA)
where:
Base-Base interactions energy: -35.444
where: short stacking energy: -33.313
Base-Backbone interact. energy: -0.127
local terms energy: -64.940838
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -7.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -263.230474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.230474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.230474 (E_RNA)
where:
Base-Base interactions energy: -169.589
where: short stacking energy: -77.384
Base-Backbone interact. energy: -0.004
local terms energy: -93.637128
where:
bonds (distance) C4'-P energy: -18.781
bonds (distance) P-C4' energy: -18.681
flat angles C4'-P-C4' energy: -16.461
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: -27.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -245.484049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.484049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.484049 (E_RNA)
where:
Base-Base interactions energy: -155.892
where: short stacking energy: -77.423
Base-Backbone interact. energy: -0.213
local terms energy: -89.378900
where:
bonds (distance) C4'-P energy: -20.419
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -18.427
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -23.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -247.665789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.665789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.665789 (E_RNA)
where:
Base-Base interactions energy: -159.050
where: short stacking energy: -78.372
Base-Backbone interact. energy: 0.310
local terms energy: -88.925545
where:
bonds (distance) C4'-P energy: -17.854
bonds (distance) P-C4' energy: -18.194
flat angles C4'-P-C4' energy: -17.686
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -24.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -243.913739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.913739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.913739 (E_RNA)
where:
Base-Base interactions energy: -157.274
where: short stacking energy: -76.875
Base-Backbone interact. energy: -0.090
local terms energy: -86.550177
where:
bonds (distance) C4'-P energy: -18.409
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -16.527
flat angles P-C4'-P energy: -13.150
tors. eta vs tors. theta energy: -23.949
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: 4
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -234.932592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.932592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.932592 (E_RNA)
where:
Base-Base interactions energy: -158.940
where: short stacking energy: -77.862
Base-Backbone interact. energy: -0.005
local terms energy: -75.987654
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -17.902
flat angles C4'-P-C4' energy: -8.988
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -24.007
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: 1
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -221.031897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.031897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.031897 (E_RNA)
where:
Base-Base interactions energy: -148.464
where: short stacking energy: -67.940
Base-Backbone interact. energy: -0.323
local terms energy: -72.244482
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -9.332
flat angles C4'-P-C4' energy: -18.006
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -20.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -204.715100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.715100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.715100 (E_RNA)
where:
Base-Base interactions energy: -126.519
where: short stacking energy: -57.308
Base-Backbone interact. energy: -0.001
local terms energy: -78.195168
where:
bonds (distance) C4'-P energy: -16.169
bonds (distance) P-C4' energy: -18.312
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -18.762
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: 8, replica: 8
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -91.212084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.212084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.212084 (E_RNA)
where:
Base-Base interactions energy: -28.309
where: short stacking energy: -28.309
Base-Backbone interact. energy: -0.179
local terms energy: -62.723615
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -13.030
flat angles C4'-P-C4' energy: -18.398
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -4.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -97.534874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.534874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.534874 (E_RNA)
where:
Base-Base interactions energy: -41.066
where: short stacking energy: -22.385
Base-Backbone interact. energy: 0.185
local terms energy: -56.653857
where:
bonds (distance) C4'-P energy: -15.272
bonds (distance) P-C4' energy: -16.824
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -5.822
tors. eta vs tors. theta energy: -5.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -83.606519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.606519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.606519 (E_RNA)
where:
Base-Base interactions energy: -28.716
where: short stacking energy: -28.716
Base-Backbone interact. energy: -0.450
local terms energy: -54.439872
where:
bonds (distance) C4'-P energy: -12.601
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -10.702
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: -4.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -258.611608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.611608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.611608 (E_RNA)
where:
Base-Base interactions energy: -167.988
where: short stacking energy: -75.796
Base-Backbone interact. energy: -0.195
local terms energy: -90.428209
where:
bonds (distance) C4'-P energy: -18.938
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -19.374
flat angles P-C4'-P energy: -14.362
tors. eta vs tors. theta energy: -20.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -252.599482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.599482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.599482 (E_RNA)
where:
Base-Base interactions energy: -166.558
where: short stacking energy: -79.714
Base-Backbone interact. energy: -0.104
local terms energy: -85.937638
where:
bonds (distance) C4'-P energy: -18.144
bonds (distance) P-C4' energy: -18.795
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -9.546
tors. eta vs tors. theta energy: -24.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -241.220097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.220097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.220097 (E_RNA)
where:
Base-Base interactions energy: -148.831
where: short stacking energy: -66.429
Base-Backbone interact. energy: -0.127
local terms energy: -92.262368
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -18.751
flat angles C4'-P-C4' energy: -19.242
flat angles P-C4'-P energy: -14.756
tors. eta vs tors. theta energy: -23.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -252.501641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.501641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.501641 (E_RNA)
where:
Base-Base interactions energy: -166.979
where: short stacking energy: -80.520
Base-Backbone interact. energy: -0.254
local terms energy: -85.269073
where:
bonds (distance) C4'-P energy: -15.442
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -11.905
tors. eta vs tors. theta energy: -24.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -223.641558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.641558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.641558 (E_RNA)
where:
Base-Base interactions energy: -139.794
where: short stacking energy: -67.574
Base-Backbone interact. energy: -0.009
local terms energy: -83.838490
where:
bonds (distance) C4'-P energy: -16.363
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -14.615
tors. eta vs tors. theta energy: -20.797
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: 2
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -213.018412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.018412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.018412 (E_RNA)
where:
Base-Base interactions energy: -138.998
where: short stacking energy: -64.893
Base-Backbone interact. energy: 1.041
local terms energy: -75.061482
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -9.744
flat angles C4'-P-C4' energy: -17.187
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: -22.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -203.811456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.811456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.811456 (E_RNA)
where:
Base-Base interactions energy: -133.224
where: short stacking energy: -56.357
Base-Backbone interact. energy: -0.063
local terms energy: -70.524311
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -18.449
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -15.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -97.244148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.244148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.244148 (E_RNA)
where:
Base-Base interactions energy: -38.699
where: short stacking energy: -38.087
Base-Backbone interact. energy: 0.207
local terms energy: -58.751907
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -2.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -91.123858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.123858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.123858 (E_RNA)
where:
Base-Base interactions energy: -20.136
where: short stacking energy: -20.136
Base-Backbone interact. energy: -0.360
local terms energy: -70.627754
where:
bonds (distance) C4'-P energy: -17.985
bonds (distance) P-C4' energy: -18.849
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -14.052
tors. eta vs tors. theta energy: -4.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -80.461273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.461273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.461273 (E_RNA)
where:
Base-Base interactions energy: -30.768
where: short stacking energy: -21.820
Base-Backbone interact. energy: -0.130
local terms energy: -49.562878
where:
bonds (distance) C4'-P energy: -10.730
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -12.131
flat angles P-C4'-P energy: -7.037
tors. eta vs tors. theta energy: -3.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -267.262870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.262870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.262870 (E_RNA)
where:
Base-Base interactions energy: -178.453
where: short stacking energy: -83.768
Base-Backbone interact. energy: -0.044
local terms energy: -88.766198
where:
bonds (distance) C4'-P energy: -14.564
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -19.399
flat angles P-C4'-P energy: -12.271
tors. eta vs tors. theta energy: -25.649
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: 2, replica: 5
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -254.416515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.416515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.416515 (E_RNA)
where:
Base-Base interactions energy: -169.459
where: short stacking energy: -73.315
Base-Backbone interact. energy: -0.114
local terms energy: -84.842557
where:
bonds (distance) C4'-P energy: -18.426
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -18.226
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -21.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -258.077607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.077607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.077607 (E_RNA)
where:
Base-Base interactions energy: -171.756
where: short stacking energy: -78.377
Base-Backbone interact. energy: -0.012
local terms energy: -86.310039
where:
bonds (distance) C4'-P energy: -17.546
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -18.041
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -24.897
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: 6
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -245.361156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.361156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.361156 (E_RNA)
where:
Base-Base interactions energy: -158.084
where: short stacking energy: -74.955
Base-Backbone interact. energy: -0.110
local terms energy: -87.166928
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -19.078
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -14.927
tors. eta vs tors. theta energy: -25.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -231.685937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.685937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.685937 (E_RNA)
where:
Base-Base interactions energy: -150.340
where: short stacking energy: -70.762
Base-Backbone interact. energy: -0.069
local terms energy: -81.276240
where:
bonds (distance) C4'-P energy: -17.611
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -19.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -213.022495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.022495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.022495 (E_RNA)
where:
Base-Base interactions energy: -141.890
where: short stacking energy: -69.912
Base-Backbone interact. energy: -0.077
local terms energy: -71.055141
where:
bonds (distance) C4'-P energy: -7.827
bonds (distance) P-C4' energy: -17.444
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -21.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -210.744698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.744698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.744698 (E_RNA)
where:
Base-Base interactions energy: -140.115
where: short stacking energy: -61.465
Base-Backbone interact. energy: -0.036
local terms energy: -70.592998
where:
bonds (distance) C4'-P energy: -10.895
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -13.738
tors. eta vs tors. theta energy: -18.331
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: 358
Temperature: 1.250000
Total energy: -102.122146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.122146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.122146 (E_RNA)
where:
Base-Base interactions energy: -45.638
where: short stacking energy: -41.633
Base-Backbone interact. energy: -0.247
local terms energy: -56.237898
where:
bonds (distance) C4'-P energy: -18.088
bonds (distance) P-C4' energy: -10.635
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -3.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -91.868595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.868595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.868595 (E_RNA)
where:
Base-Base interactions energy: -38.185
where: short stacking energy: -17.810
Base-Backbone interact. energy: -0.310
local terms energy: -53.373624
where:
bonds (distance) C4'-P energy: -15.155
bonds (distance) P-C4' energy: -18.627
flat angles C4'-P-C4' energy: -12.501
flat angles P-C4'-P energy: -5.874
tors. eta vs tors. theta energy: -1.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -95.500703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.500703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.500703 (E_RNA)
where:
Base-Base interactions energy: -32.553
where: short stacking energy: -28.894
Base-Backbone interact. energy: -0.079
local terms energy: -62.868960
where:
bonds (distance) C4'-P energy: -16.265
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -11.821
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: 1, replica: 9
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -267.792736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.792736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.792736 (E_RNA)
where:
Base-Base interactions energy: -181.126
where: short stacking energy: -82.470
Base-Backbone interact. energy: -0.059
local terms energy: -86.607637
where:
bonds (distance) C4'-P energy: -16.924
bonds (distance) P-C4' energy: -16.080
flat angles C4'-P-C4' energy: -18.982
flat angles P-C4'-P energy: -8.781
tors. eta vs tors. theta energy: -25.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -257.891858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.891858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.891858 (E_RNA)
where:
Base-Base interactions energy: -168.322
where: short stacking energy: -78.313
Base-Backbone interact. energy: -0.063
local terms energy: -89.506858
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -20.860
flat angles P-C4'-P energy: -12.706
tors. eta vs tors. theta energy: -25.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -248.221942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.221942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.221942 (E_RNA)
where:
Base-Base interactions energy: -160.626
where: short stacking energy: -80.656
Base-Backbone interact. energy: -0.009
local terms energy: -87.587132
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -18.434
flat angles C4'-P-C4' energy: -17.855
flat angles P-C4'-P energy: -9.745
tors. eta vs tors. theta energy: -25.807
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: 6
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -223.588612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.588612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.588612 (E_RNA)
where:
Base-Base interactions energy: -148.276
where: short stacking energy: -66.834
Base-Backbone interact. energy: -0.112
local terms energy: -75.200750
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -19.218
flat angles C4'-P-C4' energy: -13.085
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -16.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -237.745143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.745143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.745143 (E_RNA)
where:
Base-Base interactions energy: -156.273
where: short stacking energy: -75.338
Base-Backbone interact. energy: -0.176
local terms energy: -81.296881
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -18.011
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -13.421
tors. eta vs tors. theta energy: -19.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -223.776085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.776085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.776085 (E_RNA)
where:
Base-Base interactions energy: -149.977
where: short stacking energy: -74.227
Base-Backbone interact. energy: -0.045
local terms energy: -73.754305
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -11.256
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: -24.286
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: 7, replica: 4
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -215.900692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.900692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.900692 (E_RNA)
where:
Base-Base interactions energy: -138.276
where: short stacking energy: -72.878
Base-Backbone interact. energy: -0.225
local terms energy: -77.399769
where:
bonds (distance) C4'-P energy: -15.882
bonds (distance) P-C4' energy: -11.307
flat angles C4'-P-C4' energy: -17.915
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -22.345
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: 8, replica: 7
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -91.955715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.955715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.955715 (E_RNA)
where:
Base-Base interactions energy: -39.453
where: short stacking energy: -39.453
Base-Backbone interact. energy: -0.059
local terms energy: -52.443646
where:
bonds (distance) C4'-P energy: -10.141
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -3.232
tors. eta vs tors. theta energy: -8.832
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: 3
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -84.318701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.318701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.318701 (E_RNA)
where:
Base-Base interactions energy: -28.835
where: short stacking energy: -28.190
Base-Backbone interact. energy: 2.085
local terms energy: -57.568557
where:
bonds (distance) C4'-P energy: -17.267
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -2.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -83.996805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.996805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.996805 (E_RNA)
where:
Base-Base interactions energy: -32.006
where: short stacking energy: -24.763
Base-Backbone interact. energy: -0.308
local terms energy: -51.682546
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -18.302
flat angles P-C4'-P energy: -8.710
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: 1, replica: 5
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -263.053343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.053343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.053343 (E_RNA)
where:
Base-Base interactions energy: -172.010
where: short stacking energy: -86.763
Base-Backbone interact. energy: 0.042
local terms energy: -91.085840
where:
bonds (distance) C4'-P energy: -17.712
bonds (distance) P-C4' energy: -19.217
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -11.164
tors. eta vs tors. theta energy: -26.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -247.637637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.637637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.637637 (E_RNA)
where:
Base-Base interactions energy: -160.037
where: short stacking energy: -69.907
Base-Backbone interact. energy: -0.078
local terms energy: -87.523197
where:
bonds (distance) C4'-P energy: -17.726
bonds (distance) P-C4' energy: -18.841
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -13.383
tors. eta vs tors. theta energy: -21.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -250.686481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.686481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.686481 (E_RNA)
where:
Base-Base interactions energy: -164.576
where: short stacking energy: -74.098
Base-Backbone interact. energy: -0.332
local terms energy: -85.779148
where:
bonds (distance) C4'-P energy: -16.735
bonds (distance) P-C4' energy: -16.338
flat angles C4'-P-C4' energy: -20.742
flat angles P-C4'-P energy: -10.990
tors. eta vs tors. theta energy: -20.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -243.609648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.609648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.609648 (E_RNA)
where:
Base-Base interactions energy: -154.893
where: short stacking energy: -77.016
Base-Backbone interact. energy: -0.063
local terms energy: -88.653813
where:
bonds (distance) C4'-P energy: -19.291
bonds (distance) P-C4' energy: -20.222
flat angles C4'-P-C4' energy: -11.942
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -25.412
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: 2
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -236.184473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.184473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.184473 (E_RNA)
where:
Base-Base interactions energy: -153.434
where: short stacking energy: -70.257
Base-Backbone interact. energy: -0.079
local terms energy: -82.671362
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -11.107
flat angles C4'-P-C4' energy: -17.802
flat angles P-C4'-P energy: -13.987
tors. eta vs tors. theta energy: -23.156
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: 1
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -234.174249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.174249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.174249 (E_RNA)
where:
Base-Base interactions energy: -154.665
where: short stacking energy: -71.325
Base-Backbone interact. energy: -0.022
local terms energy: -79.487961
where:
bonds (distance) C4'-P energy: -18.838
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -22.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -217.628395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.628395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.628395 (E_RNA)
where:
Base-Base interactions energy: -138.379
where: short stacking energy: -72.018
Base-Backbone interact. energy: -0.138
local terms energy: -79.111322
where:
bonds (distance) C4'-P energy: -12.114
bonds (distance) P-C4' energy: -15.535
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: -22.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -86.573225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.573225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.573225 (E_RNA)
where:
Base-Base interactions energy: -33.632
where: short stacking energy: -33.632
Base-Backbone interact. energy: -0.023
local terms energy: -52.918442
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -11.740
flat angles C4'-P-C4' energy: -9.767
flat angles P-C4'-P energy: -4.978
tors. eta vs tors. theta energy: -10.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -92.756257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.756257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.756257 (E_RNA)
where:
Base-Base interactions energy: -30.937
where: short stacking energy: -28.442
Base-Backbone interact. energy: -0.284
local terms energy: -61.535060
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -17.266
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -6.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -91.459683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.459683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.459683 (E_RNA)
where:
Base-Base interactions energy: -30.604
where: short stacking energy: -24.755
Base-Backbone interact. energy: -3.224
local terms energy: -57.631293
where:
bonds (distance) C4'-P energy: -17.601
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -12.599
flat angles P-C4'-P energy: -5.544
tors. eta vs tors. theta energy: -5.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -259.073659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.073659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.073659 (E_RNA)
where:
Base-Base interactions energy: -165.591
where: short stacking energy: -75.498
Base-Backbone interact. energy: -0.017
local terms energy: -93.466156
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -18.823
flat angles P-C4'-P energy: -15.777
tors. eta vs tors. theta energy: -25.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -268.804477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.804477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.804477 (E_RNA)
where:
Base-Base interactions energy: -180.495
where: short stacking energy: -87.184
Base-Backbone interact. energy: -0.014
local terms energy: -88.295482
where:
bonds (distance) C4'-P energy: -20.946
bonds (distance) P-C4' energy: -13.074
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -9.605
tors. eta vs tors. theta energy: -28.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -252.137348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.137348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.137348 (E_RNA)
where:
Base-Base interactions energy: -159.436
where: short stacking energy: -77.966
Base-Backbone interact. energy: -0.568
local terms energy: -92.133450
where:
bonds (distance) C4'-P energy: -17.069
bonds (distance) P-C4' energy: -17.608
flat angles C4'-P-C4' energy: -19.299
flat angles P-C4'-P energy: -13.115
tors. eta vs tors. theta energy: -25.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -233.315425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.315425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.315425 (E_RNA)
where:
Base-Base interactions energy: -150.485
where: short stacking energy: -74.922
Base-Backbone interact. energy: 0.837
local terms energy: -83.666872
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -15.366
flat angles P-C4'-P energy: -12.842
tors. eta vs tors. theta energy: -23.266
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: 2
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -247.999814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.999814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.999814 (E_RNA)
where:
Base-Base interactions energy: -161.544
where: short stacking energy: -77.056
Base-Backbone interact. energy: -0.001
local terms energy: -86.455308
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -17.508
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: -23.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -237.639186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.639186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.639186 (E_RNA)
where:
Base-Base interactions energy: -159.006
where: short stacking energy: -75.753
Base-Backbone interact. energy: -0.101
local terms energy: -78.532196
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -12.645
flat angles C4'-P-C4' energy: -19.026
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: -23.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -211.503597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.503597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.503597 (E_RNA)
where:
Base-Base interactions energy: -137.431
where: short stacking energy: -62.170
Base-Backbone interact. energy: -0.064
local terms energy: -74.008406
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -10.275
flat angles C4'-P-C4' energy: -18.990
flat angles P-C4'-P energy: -10.569
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: 8, replica: 8
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -96.108272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.108272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.108272 (E_RNA)
where:
Base-Base interactions energy: -38.504
where: short stacking energy: -19.221
Base-Backbone interact. energy: -0.144
local terms energy: -57.460937
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -8.078
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -4.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -95.213851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.213851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.213851 (E_RNA)
where:
Base-Base interactions energy: -30.332
where: short stacking energy: -29.583
Base-Backbone interact. energy: -0.154
local terms energy: -64.728027
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -20.129
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -6.100
tors. eta vs tors. theta energy: -6.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -85.817816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.817816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.817816 (E_RNA)
where:
Base-Base interactions energy: -26.647
where: short stacking energy: -26.647
Base-Backbone interact. energy: -0.108
local terms energy: -59.062626
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -18.351
flat angles C4'-P-C4' energy: -11.413
flat angles P-C4'-P energy: -11.439
tors. eta vs tors. theta energy: -3.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -264.729139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.729139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.729139 (E_RNA)
where:
Base-Base interactions energy: -169.195
where: short stacking energy: -84.620
Base-Backbone interact. energy: -0.060
local terms energy: -95.474551
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -19.337
flat angles C4'-P-C4' energy: -19.424
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: -27.045
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: 5
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -256.870646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.870646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.870646 (E_RNA)
where:
Base-Base interactions energy: -166.267
where: short stacking energy: -83.963
Base-Backbone interact. energy: -0.011
local terms energy: -90.591825
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -20.468
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -27.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -258.182484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.182484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.182484 (E_RNA)
where:
Base-Base interactions energy: -168.661
where: short stacking energy: -79.743
Base-Backbone interact. energy: -0.009
local terms energy: -89.512348
where:
bonds (distance) C4'-P energy: -18.599
bonds (distance) P-C4' energy: -17.755
flat angles C4'-P-C4' energy: -17.626
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: -26.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -240.779035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.779035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.779035 (E_RNA)
where:
Base-Base interactions energy: -155.000
where: short stacking energy: -77.330
Base-Backbone interact. energy: -0.008
local terms energy: -85.771298
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -14.051
tors. eta vs tors. theta energy: -22.373
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: 1
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -240.582418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.582418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.582418 (E_RNA)
where:
Base-Base interactions energy: -161.172
where: short stacking energy: -74.682
Base-Backbone interact. energy: -0.179
local terms energy: -79.231810
where:
bonds (distance) C4'-P energy: -11.128
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -24.656
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: 2
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -221.841756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.841756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.841756 (E_RNA)
where:
Base-Base interactions energy: -138.987
where: short stacking energy: -56.245
Base-Backbone interact. energy: -0.047
local terms energy: -82.807669
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -18.212
flat angles P-C4'-P energy: -11.072
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: 7, replica: 4
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -227.361094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.361094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.361094 (E_RNA)
where:
Base-Base interactions energy: -149.311
where: short stacking energy: -75.466
Base-Backbone interact. energy: -0.034
local terms energy: -78.016190
where:
bonds (distance) C4'-P energy: -12.546
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -18.754
flat angles P-C4'-P energy: -13.086
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: 8, replica: 8
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -97.679636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.679636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.679636 (E_RNA)
where:
Base-Base interactions energy: -45.552
where: short stacking energy: -22.751
Base-Backbone interact. energy: -0.183
local terms energy: -51.944886
where:
bonds (distance) C4'-P energy: -11.013
bonds (distance) P-C4' energy: -18.184
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -4.488
tors. eta vs tors. theta energy: -2.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -85.658927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.658927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.658927 (E_RNA)
where:
Base-Base interactions energy: -32.923
where: short stacking energy: -24.163
Base-Backbone interact. energy: 0.338
local terms energy: -53.074423
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -16.745
flat angles C4'-P-C4' energy: -12.804
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: 2.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -76.849127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.849127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.849127 (E_RNA)
where:
Base-Base interactions energy: -21.264
where: short stacking energy: -15.245
Base-Backbone interact. energy: -0.055
local terms energy: -55.529928
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -19.051
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -0.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -265.897611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.897611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.897611 (E_RNA)
where:
Base-Base interactions energy: -170.456
where: short stacking energy: -81.045
Base-Backbone interact. energy: -1.093
local terms energy: -94.348627
where:
bonds (distance) C4'-P energy: -16.946
bonds (distance) P-C4' energy: -20.546
flat angles C4'-P-C4' energy: -18.979
flat angles P-C4'-P energy: -12.894
tors. eta vs tors. theta energy: -24.983
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: 6
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -260.897929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.897929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.897929 (E_RNA)
where:
Base-Base interactions energy: -170.444
where: short stacking energy: -76.703
Base-Backbone interact. energy: -0.008
local terms energy: -90.445893
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -19.665
flat angles C4'-P-C4' energy: -18.059
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -27.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -254.541654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.541654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.541654 (E_RNA)
where:
Base-Base interactions energy: -164.165
where: short stacking energy: -81.724
Base-Backbone interact. energy: -0.222
local terms energy: -90.154421
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -17.496
flat angles C4'-P-C4' energy: -19.059
flat angles P-C4'-P energy: -15.233
tors. eta vs tors. theta energy: -24.164
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: 4, replica: 9
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -238.489568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.489568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.489568 (E_RNA)
where:
Base-Base interactions energy: -150.632
where: short stacking energy: -71.329
Base-Backbone interact. energy: -0.003
local terms energy: -87.854173
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -19.073
flat angles C4'-P-C4' energy: -17.788
flat angles P-C4'-P energy: -14.633
tors. eta vs tors. theta energy: -21.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -233.111764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.111764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.111764 (E_RNA)
where:
Base-Base interactions energy: -160.683
where: short stacking energy: -74.325
Base-Backbone interact. energy: -0.026
local terms energy: -72.402509
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -7.035
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -11.536
tors. eta vs tors. theta energy: -21.224
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: 4
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -234.855878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.855878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.855878 (E_RNA)
where:
Base-Base interactions energy: -147.302
where: short stacking energy: -64.528
Base-Backbone interact. energy: -1.285
local terms energy: -86.269105
where:
bonds (distance) C4'-P energy: -20.570
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -20.174
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: -20.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -217.993099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.993099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.993099 (E_RNA)
where:
Base-Base interactions energy: -135.235
where: short stacking energy: -60.461
Base-Backbone interact. energy: -0.064
local terms energy: -82.693927
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -18.409
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -14.942
tors. eta vs tors. theta energy: -19.302
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: 8, replica: 3
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -103.007934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.007934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.007934 (E_RNA)
where:
Base-Base interactions energy: -38.269
where: short stacking energy: -34.279
Base-Backbone interact. energy: -0.111
local terms energy: -64.627384
where:
bonds (distance) C4'-P energy: -19.424
bonds (distance) P-C4' energy: -17.375
flat angles C4'-P-C4' energy: -11.804
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -5.443
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: 9, replica: 8
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -101.022423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.022423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.022423 (E_RNA)
where:
Base-Base interactions energy: -44.973
where: short stacking energy: -37.116
Base-Backbone interact. energy: -0.218
local terms energy: -55.831792
where:
bonds (distance) C4'-P energy: -9.462
bonds (distance) P-C4' energy: -19.178
flat angles C4'-P-C4' energy: -11.992
flat angles P-C4'-P energy: -10.129
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: 7
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -86.924605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.924605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.924605 (E_RNA)
where:
Base-Base interactions energy: -30.572
where: short stacking energy: -29.208
Base-Backbone interact. energy: -0.293
local terms energy: -56.059314
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -16.481
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -5.330
tors. eta vs tors. theta energy: -4.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -266.376280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.376280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.376280 (E_RNA)
where:
Base-Base interactions energy: -169.267
where: short stacking energy: -79.078
Base-Backbone interact. energy: -0.068
local terms energy: -97.040976
where:
bonds (distance) C4'-P energy: -15.988
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -20.469
flat angles P-C4'-P energy: -14.982
tors. eta vs tors. theta energy: -26.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -255.322569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.322569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.322569 (E_RNA)
where:
Base-Base interactions energy: -162.161
where: short stacking energy: -74.301
Base-Backbone interact. energy: -0.135
local terms energy: -93.026474
where:
bonds (distance) C4'-P energy: -19.042
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -18.568
flat angles P-C4'-P energy: -14.084
tors. eta vs tors. theta energy: -23.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -247.513268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.513268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.513268 (E_RNA)
where:
Base-Base interactions energy: -165.025
where: short stacking energy: -66.082
Base-Backbone interact. energy: -0.074
local terms energy: -82.414246
where:
bonds (distance) C4'-P energy: -16.471
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -20.310
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: -19.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -247.020171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.020171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.020171 (E_RNA)
where:
Base-Base interactions energy: -170.383
where: short stacking energy: -81.213
Base-Backbone interact. energy: -0.388
local terms energy: -76.248400
where:
bonds (distance) C4'-P energy: -9.285
bonds (distance) P-C4' energy: -10.102
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -13.740
tors. eta vs tors. theta energy: -26.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -240.653374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.653374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.653374 (E_RNA)
where:
Base-Base interactions energy: -150.143
where: short stacking energy: -78.018
Base-Backbone interact. energy: -0.577
local terms energy: -89.933452
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -17.772
flat angles P-C4'-P energy: -12.863
tors. eta vs tors. theta energy: -27.855
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: 1
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -232.333025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.333025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.333025 (E_RNA)
where:
Base-Base interactions energy: -153.745
where: short stacking energy: -72.999
Base-Backbone interact. energy: -0.367
local terms energy: -78.220504
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -11.785
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -22.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -194.244345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.244345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.244345 (E_RNA)
where:
Base-Base interactions energy: -123.545
where: short stacking energy: -56.370
Base-Backbone interact. energy: -0.015
local terms energy: -70.685161
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -12.238
flat angles C4'-P-C4' energy: -18.333
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -15.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -91.503666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.503666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.503666 (E_RNA)
where:
Base-Base interactions energy: -30.789
where: short stacking energy: -30.789
Base-Backbone interact. energy: -0.038
local terms energy: -60.676194
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -18.746
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -4.707
tors. eta vs tors. theta energy: -9.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -131.037386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.037386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.037386 (E_RNA)
where:
Base-Base interactions energy: -84.031
where: short stacking energy: -28.867
Base-Backbone interact. energy: -0.161
local terms energy: -46.845873
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -8.085
flat angles P-C4'-P energy: -4.172
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: 8
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -82.633655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.633655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.633655 (E_RNA)
where:
Base-Base interactions energy: -26.433
where: short stacking energy: -26.433
Base-Backbone interact. energy: -0.217
local terms energy: -55.983834
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -12.633
tors. eta vs tors. theta energy: -4.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -260.831761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.831761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.831761 (E_RNA)
where:
Base-Base interactions energy: -171.988
where: short stacking energy: -87.204
Base-Backbone interact. energy: -0.043
local terms energy: -88.800424
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -17.651
flat angles C4'-P-C4' energy: -19.122
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -26.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -256.341982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.341982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.341982 (E_RNA)
where:
Base-Base interactions energy: -171.530
where: short stacking energy: -79.751
Base-Backbone interact. energy: -0.113
local terms energy: -84.699203
where:
bonds (distance) C4'-P energy: -18.011
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -25.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -245.620093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.620093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.620093 (E_RNA)
where:
Base-Base interactions energy: -156.946
where: short stacking energy: -73.150
Base-Backbone interact. energy: -0.012
local terms energy: -88.662124
where:
bonds (distance) C4'-P energy: -19.832
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -18.649
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -22.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -250.281415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.281415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.281415 (E_RNA)
where:
Base-Base interactions energy: -169.155
where: short stacking energy: -79.367
Base-Backbone interact. energy: -0.005
local terms energy: -81.122095
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -11.208
flat angles C4'-P-C4' energy: -18.836
flat angles P-C4'-P energy: -12.111
tors. eta vs tors. theta energy: -26.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -250.979663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.979663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.979663 (E_RNA)
where:
Base-Base interactions energy: -169.186
where: short stacking energy: -82.702
Base-Backbone interact. energy: 1.739
local terms energy: -83.531824
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -18.884
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -23.310
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: 1
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -214.834379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.834379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.834379 (E_RNA)
where:
Base-Base interactions energy: -137.730
where: short stacking energy: -70.487
Base-Backbone interact. energy: -0.086
local terms energy: -77.018472
where:
bonds (distance) C4'-P energy: -11.388
bonds (distance) P-C4' energy: -14.630
flat angles C4'-P-C4' energy: -17.249
flat angles P-C4'-P energy: -13.484
tors. eta vs tors. theta energy: -20.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -234.322657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.322657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.322657 (E_RNA)
where:
Base-Base interactions energy: -149.940
where: short stacking energy: -73.440
Base-Backbone interact. energy: -0.095
local terms energy: -84.287283
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -18.410
flat angles P-C4'-P energy: -9.526
tors. eta vs tors. theta energy: -24.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -154.349588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.349588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.349588 (E_RNA)
where:
Base-Base interactions energy: -83.342
where: short stacking energy: -39.806
Base-Backbone interact. energy: 0.167
local terms energy: -71.174184
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -19.264
flat angles C4'-P-C4' energy: -16.579
flat angles P-C4'-P energy: -6.852
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: 9, replica: 3
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -91.717033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.717033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.717033 (E_RNA)
where:
Base-Base interactions energy: -38.081
where: short stacking energy: -23.477
Base-Backbone interact. energy: -1.054
local terms energy: -52.581681
where:
bonds (distance) C4'-P energy: -10.791
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -17.629
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: 0.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -80.376280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.376280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.376280 (E_RNA)
where:
Base-Base interactions energy: -29.395
where: short stacking energy: -27.705
Base-Backbone interact. energy: -0.210
local terms energy: -50.771309
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -5.248
tors. eta vs tors. theta energy: -1.953
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: 6
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -263.829491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.829491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.829491 (E_RNA)
where:
Base-Base interactions energy: -176.295
where: short stacking energy: -81.127
Base-Backbone interact. energy: -0.676
local terms energy: -86.859284
where:
bonds (distance) C4'-P energy: -20.168
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -25.494
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: 10
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -264.223132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.223132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.223132 (E_RNA)
where:
Base-Base interactions energy: -168.366
where: short stacking energy: -83.963
Base-Backbone interact. energy: -0.003
local terms energy: -95.853902
where:
bonds (distance) C4'-P energy: -18.458
bonds (distance) P-C4' energy: -21.110
flat angles C4'-P-C4' energy: -18.817
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -26.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -244.687576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.687576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.687576 (E_RNA)
where:
Base-Base interactions energy: -158.107
where: short stacking energy: -69.982
Base-Backbone interact. energy: -0.135
local terms energy: -86.445535
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -18.123
flat angles P-C4'-P energy: -11.482
tors. eta vs tors. theta energy: -24.837
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: 366
Temperature: 1.050000
Total energy: -250.532343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.532343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.532343 (E_RNA)
where:
Base-Base interactions energy: -172.512
where: short stacking energy: -78.292
Base-Backbone interact. energy: -0.070
local terms energy: -77.950406
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -11.864
flat angles C4'-P-C4' energy: -18.677
flat angles P-C4'-P energy: -4.679
tors. eta vs tors. theta energy: -25.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -238.244750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.244750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.244750 (E_RNA)
where:
Base-Base interactions energy: -149.638
where: short stacking energy: -64.743
Base-Backbone interact. energy: -0.000
local terms energy: -88.606190
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -18.551
flat angles C4'-P-C4' energy: -21.310
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -21.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -216.635046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.635046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.635046 (E_RNA)
where:
Base-Base interactions energy: -140.966
where: short stacking energy: -69.348
Base-Backbone interact. energy: -0.636
local terms energy: -75.033396
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -14.527
flat angles C4'-P-C4' energy: -16.062
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -19.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -224.121111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.121111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.121111 (E_RNA)
where:
Base-Base interactions energy: -138.794
where: short stacking energy: -64.898
Base-Backbone interact. energy: -0.209
local terms energy: -85.118265
where:
bonds (distance) C4'-P energy: -16.879
bonds (distance) P-C4' energy: -21.074
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: -20.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -116.002042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.002042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.002042 (E_RNA)
where:
Base-Base interactions energy: -62.726
where: short stacking energy: -21.075
Base-Backbone interact. energy: -0.135
local terms energy: -53.141387
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -11.410
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: 0.292
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: 3
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -88.713220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.713220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.713220 (E_RNA)
where:
Base-Base interactions energy: -32.006
where: short stacking energy: -31.797
Base-Backbone interact. energy: -0.406
local terms energy: -56.301025
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -16.779
flat angles P-C4'-P energy: -6.132
tors. eta vs tors. theta energy: -3.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -79.151367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.151367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.151367 (E_RNA)
where:
Base-Base interactions energy: -25.348
where: short stacking energy: -23.116
Base-Backbone interact. energy: -0.160
local terms energy: -53.643982
where:
bonds (distance) C4'-P energy: -14.257
bonds (distance) P-C4' energy: -18.230
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -7.900
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: 6
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -272.206791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.206791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.206791 (E_RNA)
where:
Base-Base interactions energy: -174.612
where: short stacking energy: -84.042
Base-Backbone interact. energy: -0.311
local terms energy: -97.283878
where:
bonds (distance) C4'-P energy: -17.128
bonds (distance) P-C4' energy: -20.454
flat angles C4'-P-C4' energy: -20.683
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -26.304
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: 10
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -255.393670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.393670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.393670 (E_RNA)
where:
Base-Base interactions energy: -173.584
where: short stacking energy: -79.060
Base-Backbone interact. energy: 0.474
local terms energy: -82.283617
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -17.744
flat angles C4'-P-C4' energy: -18.871
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -23.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -243.040264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.040264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.040264 (E_RNA)
where:
Base-Base interactions energy: -150.683
where: short stacking energy: -69.939
Base-Backbone interact. energy: -0.339
local terms energy: -92.017565
where:
bonds (distance) C4'-P energy: -17.031
bonds (distance) P-C4' energy: -18.284
flat angles C4'-P-C4' energy: -19.407
flat angles P-C4'-P energy: -15.249
tors. eta vs tors. theta energy: -22.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -245.837244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.837244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.837244 (E_RNA)
where:
Base-Base interactions energy: -155.739
where: short stacking energy: -77.472
Base-Backbone interact. energy: -0.017
local terms energy: -90.081100
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -15.523
tors. eta vs tors. theta energy: -26.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -241.057338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.057338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.057338 (E_RNA)
where:
Base-Base interactions energy: -161.322
where: short stacking energy: -70.135
Base-Backbone interact. energy: -0.672
local terms energy: -79.063384
where:
bonds (distance) C4'-P energy: -15.719
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: -20.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -231.091113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.091113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.091113 (E_RNA)
where:
Base-Base interactions energy: -148.727
where: short stacking energy: -72.343
Base-Backbone interact. energy: -0.153
local terms energy: -82.211327
where:
bonds (distance) C4'-P energy: -15.008
bonds (distance) P-C4' energy: -14.258
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -12.931
tors. eta vs tors. theta energy: -24.278
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: 5
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -202.343131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.343131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.343131 (E_RNA)
where:
Base-Base interactions energy: -126.376
where: short stacking energy: -59.545
Base-Backbone interact. energy: -0.123
local terms energy: -75.843554
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -16.739
flat angles P-C4'-P energy: -12.455
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: 8, replica: 3
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -100.722559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.722559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.722559 (E_RNA)
where:
Base-Base interactions energy: -36.912
where: short stacking energy: -22.151
Base-Backbone interact. energy: -0.075
local terms energy: -63.735083
where:
bonds (distance) C4'-P energy: -17.394
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -12.256
flat angles P-C4'-P energy: -10.294
tors. eta vs tors. theta energy: -4.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -80.317778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.317778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.317778 (E_RNA)
where:
Base-Base interactions energy: -26.874
where: short stacking energy: -21.997
Base-Backbone interact. energy: 0.096
local terms energy: -53.540238
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -18.532
flat angles C4'-P-C4' energy: -13.450
flat angles P-C4'-P energy: -8.518
tors. eta vs tors. theta energy: 1.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -84.782311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.782311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.782311 (E_RNA)
where:
Base-Base interactions energy: -28.916
where: short stacking energy: -27.428
Base-Backbone interact. energy: -0.280
local terms energy: -55.586891
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -13.598
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -7.644
tors. eta vs tors. theta energy: -3.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -260.088568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.088568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.088568 (E_RNA)
where:
Base-Base interactions energy: -173.751
where: short stacking energy: -79.702
Base-Backbone interact. energy: -0.092
local terms energy: -86.246065
where:
bonds (distance) C4'-P energy: -19.104
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -26.947
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: 6
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -253.978932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.978932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.978932 (E_RNA)
where:
Base-Base interactions energy: -159.668
where: short stacking energy: -81.255
Base-Backbone interact. energy: -0.105
local terms energy: -94.205839
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -18.323
flat angles P-C4'-P energy: -15.487
tors. eta vs tors. theta energy: -26.815
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: 1
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -251.876783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.876783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.876783 (E_RNA)
where:
Base-Base interactions energy: -162.293
where: short stacking energy: -80.139
Base-Backbone interact. energy: -0.015
local terms energy: -89.568615
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -20.036
flat angles P-C4'-P energy: -14.026
tors. eta vs tors. theta energy: -21.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -250.382081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.382081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.382081 (E_RNA)
where:
Base-Base interactions energy: -158.510
where: short stacking energy: -79.240
Base-Backbone interact. energy: 0.067
local terms energy: -91.938741
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -17.332
flat angles C4'-P-C4' energy: -18.371
flat angles P-C4'-P energy: -15.207
tors. eta vs tors. theta energy: -26.015
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: 368
Temperature: 1.100000
Total energy: -239.065295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.065295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.065295 (E_RNA)
where:
Base-Base interactions energy: -156.555
where: short stacking energy: -78.317
Base-Backbone interact. energy: -0.067
local terms energy: -82.443798
where:
bonds (distance) C4'-P energy: -14.138
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -21.970
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: 368
Temperature: 1.150000
Total energy: -244.707339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.707339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.707339 (E_RNA)
where:
Base-Base interactions energy: -159.456
where: short stacking energy: -71.517
Base-Backbone interact. energy: -0.007
local terms energy: -85.244435
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -13.637
tors. eta vs tors. theta energy: -26.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -97.284670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.284670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.284670 (E_RNA)
where:
Base-Base interactions energy: -43.648
where: short stacking energy: -29.321
Base-Backbone interact. energy: 1.012
local terms energy: -54.648466
where:
bonds (distance) C4'-P energy: -10.917
bonds (distance) P-C4' energy: -18.590
flat angles C4'-P-C4' energy: -11.376
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -1.997
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: 8, replica: 5
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -211.996791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.996791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.996791 (E_RNA)
where:
Base-Base interactions energy: -141.771
where: short stacking energy: -64.081
Base-Backbone interact. energy: 0.077
local terms energy: -70.301917
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -15.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -89.658170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.658170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.658170 (E_RNA)
where:
Base-Base interactions energy: -32.539
where: short stacking energy: -32.222
Base-Backbone interact. energy: -0.071
local terms energy: -57.048397
where:
bonds (distance) C4'-P energy: -9.634
bonds (distance) P-C4' energy: -20.441
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -6.273
tors. eta vs tors. theta energy: -4.576
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: 10, replica: 8
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -88.053333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.053333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.053333 (E_RNA)
where:
Base-Base interactions energy: -34.405
where: short stacking energy: -28.328
Base-Backbone interact. energy: -0.761
local terms energy: -52.887705
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -4.005
tors. eta vs tors. theta energy: -3.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -266.981275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.981275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.981275 (E_RNA)
where:
Base-Base interactions energy: -171.337
where: short stacking energy: -89.003
Base-Backbone interact. energy: -0.062
local terms energy: -95.582460
where:
bonds (distance) C4'-P energy: -17.332
bonds (distance) P-C4' energy: -17.988
flat angles C4'-P-C4' energy: -19.932
flat angles P-C4'-P energy: -12.937
tors. eta vs tors. theta energy: -27.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -253.822900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.822900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.822900 (E_RNA)
where:
Base-Base interactions energy: -163.214
where: short stacking energy: -76.812
Base-Backbone interact. energy: -0.207
local terms energy: -90.402519
where:
bonds (distance) C4'-P energy: -18.926
bonds (distance) P-C4' energy: -18.605
flat angles C4'-P-C4' energy: -16.684
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -24.394
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: 369
Temperature: 1.000000
Total energy: -230.768266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.768266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.768266 (E_RNA)
where:
Base-Base interactions energy: -148.428
where: short stacking energy: -68.230
Base-Backbone interact. energy: -0.094
local terms energy: -82.245462
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -16.999
flat angles C4'-P-C4' energy: -20.145
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: -20.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -245.951633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.951633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.951633 (E_RNA)
where:
Base-Base interactions energy: -166.417
where: short stacking energy: -77.418
Base-Backbone interact. energy: -0.016
local terms energy: -79.518090
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -11.920
flat angles C4'-P-C4' energy: -18.684
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -22.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -242.407565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.407565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.407565 (E_RNA)
where:
Base-Base interactions energy: -155.225
where: short stacking energy: -74.309
Base-Backbone interact. energy: 0.291
local terms energy: -87.473703
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -18.688
flat angles C4'-P-C4' energy: -20.196
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -23.190
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: 9
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -237.455907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.455907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.455907 (E_RNA)
where:
Base-Base interactions energy: -161.357
where: short stacking energy: -79.673
Base-Backbone interact. energy: -0.006
local terms energy: -76.093164
where:
bonds (distance) C4'-P energy: -12.357
bonds (distance) P-C4' energy: -8.806
flat angles C4'-P-C4' energy: -18.134
flat angles P-C4'-P energy: -12.817
tors. eta vs tors. theta energy: -23.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -102.833808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.833808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.833808 (E_RNA)
where:
Base-Base interactions energy: -49.475
where: short stacking energy: -38.689
Base-Backbone interact. energy: -0.364
local terms energy: -52.994735
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -12.953
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -7.431
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: 8, replica: 5
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -199.385785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.385785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.385785 (E_RNA)
where:
Base-Base interactions energy: -128.088
where: short stacking energy: -52.087
Base-Backbone interact. energy: -0.007
local terms energy: -71.290215
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -14.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -86.582198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.582198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.582198 (E_RNA)
where:
Base-Base interactions energy: -39.613
where: short stacking energy: -20.164
Base-Backbone interact. energy: -0.811
local terms energy: -46.157771
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -12.053
flat angles C4'-P-C4' energy: -16.996
flat angles P-C4'-P energy: -9.665
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: 10, replica: 8
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -87.780312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.780312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.780312 (E_RNA)
where:
Base-Base interactions energy: -34.897
where: short stacking energy: -33.533
Base-Backbone interact. energy: -0.142
local terms energy: -52.741249
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -11.091
flat angles C4'-P-C4' energy: -11.116
flat angles P-C4'-P energy: -7.453
tors. eta vs tors. theta energy: -9.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -264.672759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.672759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.672759 (E_RNA)
where:
Base-Base interactions energy: -171.835
where: short stacking energy: -89.741
Base-Backbone interact. energy: -0.003
local terms energy: -92.835027
where:
bonds (distance) C4'-P energy: -16.095
bonds (distance) P-C4' energy: -17.512
flat angles C4'-P-C4' energy: -18.581
flat angles P-C4'-P energy: -14.448
tors. eta vs tors. theta energy: -26.199
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: 1
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -263.944931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.944931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.944931 (E_RNA)
where:
Base-Base interactions energy: -171.404
where: short stacking energy: -83.739
Base-Backbone interact. energy: -0.023
local terms energy: -92.518334
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -16.726
flat angles C4'-P-C4' energy: -19.821
flat angles P-C4'-P energy: -12.437
tors. eta vs tors. theta energy: -26.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -245.911650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.911650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.911650 (E_RNA)
where:
Base-Base interactions energy: -168.672
where: short stacking energy: -70.240
Base-Backbone interact. energy: -0.196
local terms energy: -77.042846
where:
bonds (distance) C4'-P energy: -14.348
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -18.237
flat angles P-C4'-P energy: -8.449
tors. eta vs tors. theta energy: -17.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -228.123725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.123725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.123725 (E_RNA)
where:
Base-Base interactions energy: -143.237
where: short stacking energy: -68.559
Base-Backbone interact. energy: 0.832
local terms energy: -85.718191
where:
bonds (distance) C4'-P energy: -17.491
bonds (distance) P-C4' energy: -19.084
flat angles C4'-P-C4' energy: -18.856
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -21.184
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: 370
Temperature: 1.100000
Total energy: -249.541139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.541139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.541139 (E_RNA)
where:
Base-Base interactions energy: -160.442
where: short stacking energy: -77.941
Base-Backbone interact. energy: -0.788
local terms energy: -88.310788
where:
bonds (distance) C4'-P energy: -15.509
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -17.843
flat angles P-C4'-P energy: -12.298
tors. eta vs tors. theta energy: -25.349
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: 370
Temperature: 1.150000
Total energy: -211.709592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.709592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.709592 (E_RNA)
where:
Base-Base interactions energy: -135.600
where: short stacking energy: -58.908
Base-Backbone interact. energy: 0.127
local terms energy: -76.236413
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -18.875
flat angles C4'-P-C4' energy: -11.700
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -17.670
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: 5
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -220.871547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.871547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.871547 (E_RNA)
where:
Base-Base interactions energy: -137.242
where: short stacking energy: -70.768
Base-Backbone interact. energy: -0.084
local terms energy: -83.544658
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -18.683
flat angles P-C4'-P energy: -13.679
tors. eta vs tors. theta energy: -19.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -89.054067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.054067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.054067 (E_RNA)
where:
Base-Base interactions energy: -34.162
where: short stacking energy: -34.262
Base-Backbone interact. energy: -0.256
local terms energy: -54.636599
where:
bonds (distance) C4'-P energy: -16.278
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -0.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -90.994320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.994320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.994320 (E_RNA)
where:
Base-Base interactions energy: -30.281
where: short stacking energy: -28.319
Base-Backbone interact. energy: 0.222
local terms energy: -60.935358
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -13.177
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -7.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -92.739963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.739963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.739963 (E_RNA)
where:
Base-Base interactions energy: -46.806
where: short stacking energy: -18.274
Base-Backbone interact. energy: 0.719
local terms energy: -46.653749
where:
bonds (distance) C4'-P energy: -18.768
bonds (distance) P-C4' energy: -17.096
flat angles C4'-P-C4' energy: -11.399
flat angles P-C4'-P energy: -1.298
tors. eta vs tors. theta energy: 1.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -268.276863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.276863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.276863 (E_RNA)
where:
Base-Base interactions energy: -176.008
where: short stacking energy: -81.277
Base-Backbone interact. energy: -0.560
local terms energy: -91.708280
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -19.004
flat angles P-C4'-P energy: -15.090
tors. eta vs tors. theta energy: -28.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -261.456586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.456586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.456586 (E_RNA)
where:
Base-Base interactions energy: -170.733
where: short stacking energy: -82.493
Base-Backbone interact. energy: -0.009
local terms energy: -90.714631
where:
bonds (distance) C4'-P energy: -17.967
bonds (distance) P-C4' energy: -18.111
flat angles C4'-P-C4' energy: -19.883
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -24.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -251.898446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.898446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.898446 (E_RNA)
where:
Base-Base interactions energy: -163.040
where: short stacking energy: -75.268
Base-Backbone interact. energy: -0.001
local terms energy: -88.856758
where:
bonds (distance) C4'-P energy: -16.827
bonds (distance) P-C4' energy: -19.690
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -24.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -247.318764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.318764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.318764 (E_RNA)
where:
Base-Base interactions energy: -159.293
where: short stacking energy: -73.490
Base-Backbone interact. energy: -0.045
local terms energy: -87.980514
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -19.523
flat angles P-C4'-P energy: -11.154
tors. eta vs tors. theta energy: -25.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -234.816941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.816941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.816941 (E_RNA)
where:
Base-Base interactions energy: -152.678
where: short stacking energy: -73.062
Base-Backbone interact. energy: -0.004
local terms energy: -82.134598
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -17.638
flat angles C4'-P-C4' energy: -15.643
flat angles P-C4'-P energy: -13.490
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: 6, replica: 5
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -224.341202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.341202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.341202 (E_RNA)
where:
Base-Base interactions energy: -144.979
where: short stacking energy: -62.649
Base-Backbone interact. energy: -0.396
local terms energy: -78.966009
where:
bonds (distance) C4'-P energy: -18.417
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -17.454
flat angles P-C4'-P energy: -3.865
tors. eta vs tors. theta energy: -20.826
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: 9
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -210.639549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.639549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.639549 (E_RNA)
where:
Base-Base interactions energy: -139.898
where: short stacking energy: -55.914
Base-Backbone interact. energy: -1.585
local terms energy: -69.156470
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -18.403
flat angles C4'-P-C4' energy: -12.129
flat angles P-C4'-P energy: -11.638
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: 8, replica: 8
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -86.833358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.833358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.833358 (E_RNA)
where:
Base-Base interactions energy: -29.490
where: short stacking energy: -29.490
Base-Backbone interact. energy: -0.065
local terms energy: -57.278201
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -18.115
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -5.407
tors. eta vs tors. theta energy: -3.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -96.349304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.349304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.349304 (E_RNA)
where:
Base-Base interactions energy: -34.509
where: short stacking energy: -33.652
Base-Backbone interact. energy: 0.601
local terms energy: -62.440998
where:
bonds (distance) C4'-P energy: -10.965
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -7.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -75.777121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.777121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.777121 (E_RNA)
where:
Base-Base interactions energy: -16.152
where: short stacking energy: -16.152
Base-Backbone interact. energy: -0.144
local terms energy: -59.481799
where:
bonds (distance) C4'-P energy: -17.162
bonds (distance) P-C4' energy: -19.151
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: 3.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -260.600190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.600190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.600190 (E_RNA)
where:
Base-Base interactions energy: -165.399
where: short stacking energy: -85.599
Base-Backbone interact. energy: -0.102
local terms energy: -95.099482
where:
bonds (distance) C4'-P energy: -20.375
bonds (distance) P-C4' energy: -20.545
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -13.740
tors. eta vs tors. theta energy: -25.579
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: 10
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -262.801182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.801182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.801182 (E_RNA)
where:
Base-Base interactions energy: -172.342
where: short stacking energy: -80.238
Base-Backbone interact. energy: -0.183
local terms energy: -90.276682
where:
bonds (distance) C4'-P energy: -15.318
bonds (distance) P-C4' energy: -16.753
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -13.276
tors. eta vs tors. theta energy: -27.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -255.344282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.344282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.344282 (E_RNA)
where:
Base-Base interactions energy: -168.834
where: short stacking energy: -80.554
Base-Backbone interact. energy: 0.295
local terms energy: -86.805017
where:
bonds (distance) C4'-P energy: -17.279
bonds (distance) P-C4' energy: -16.960
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -26.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -224.475263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.475263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.475263 (E_RNA)
where:
Base-Base interactions energy: -149.291
where: short stacking energy: -65.050
Base-Backbone interact. energy: -0.088
local terms energy: -75.096631
where:
bonds (distance) C4'-P energy: -16.293
bonds (distance) P-C4' energy: -11.273
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -12.530
tors. eta vs tors. theta energy: -21.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -222.059080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.059080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.059080 (E_RNA)
where:
Base-Base interactions energy: -150.874
where: short stacking energy: -70.975
Base-Backbone interact. energy: -0.009
local terms energy: -71.175594
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: -16.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -237.478610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.478610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.478610 (E_RNA)
where:
Base-Base interactions energy: -155.157
where: short stacking energy: -73.729
Base-Backbone interact. energy: -0.001
local terms energy: -82.320428
where:
bonds (distance) C4'-P energy: -18.934
bonds (distance) P-C4' energy: -14.183
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -10.889
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: 9
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -224.057214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.057214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.057214 (E_RNA)
where:
Base-Base interactions energy: -150.060
where: short stacking energy: -65.334
Base-Backbone interact. energy: -0.110
local terms energy: -73.887780
where:
bonds (distance) C4'-P energy: -11.466
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -18.215
flat angles P-C4'-P energy: -8.839
tors. eta vs tors. theta energy: -19.401
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: 8
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -101.258981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.258981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.258981 (E_RNA)
where:
Base-Base interactions energy: -47.070
where: short stacking energy: -23.234
Base-Backbone interact. energy: 1.548
local terms energy: -55.736982
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -16.748
flat angles C4'-P-C4' energy: -12.856
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -0.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -85.139529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.139529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.139529 (E_RNA)
where:
Base-Base interactions energy: -31.394
where: short stacking energy: -23.594
Base-Backbone interact. energy: -0.189
local terms energy: -53.557176
where:
bonds (distance) C4'-P energy: -11.425
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -0.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -146.308689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.308689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.308689 (E_RNA)
where:
Base-Base interactions energy: -90.874
where: short stacking energy: -38.895
Base-Backbone interact. energy: 2.847
local terms energy: -58.281335
where:
bonds (distance) C4'-P energy: -13.736
bonds (distance) P-C4' energy: -10.206
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: -5.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -257.960309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.960309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.960309 (E_RNA)
where:
Base-Base interactions energy: -168.832
where: short stacking energy: -78.704
Base-Backbone interact. energy: -0.289
local terms energy: -88.839780
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -14.988
flat angles C4'-P-C4' energy: -20.480
flat angles P-C4'-P energy: -7.395
tors. eta vs tors. theta energy: -28.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -254.009012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.009012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.009012 (E_RNA)
where:
Base-Base interactions energy: -171.706
where: short stacking energy: -81.906
Base-Backbone interact. energy: -0.165
local terms energy: -82.138460
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -17.635
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -11.802
tors. eta vs tors. theta energy: -23.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -252.635075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.635075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.635075 (E_RNA)
where:
Base-Base interactions energy: -169.379
where: short stacking energy: -77.365
Base-Backbone interact. energy: 0.892
local terms energy: -84.148300
where:
bonds (distance) C4'-P energy: -10.575
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -15.836
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: -27.749
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: 4
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -251.372552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.372552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.372552 (E_RNA)
where:
Base-Base interactions energy: -165.030
where: short stacking energy: -75.799
Base-Backbone interact. energy: -0.076
local terms energy: -86.267060
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -12.002
tors. eta vs tors. theta energy: -25.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -237.708158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.708158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.708158 (E_RNA)
where:
Base-Base interactions energy: -158.005
where: short stacking energy: -75.848
Base-Backbone interact. energy: 0.231
local terms energy: -79.934627
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -18.227
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -22.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -223.248466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.248466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.248466 (E_RNA)
where:
Base-Base interactions energy: -146.058
where: short stacking energy: -72.256
Base-Backbone interact. energy: -0.190
local terms energy: -77.001197
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -21.425
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: 6
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -226.111593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.111593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.111593 (E_RNA)
where:
Base-Base interactions energy: -139.906
where: short stacking energy: -66.998
Base-Backbone interact. energy: 0.723
local terms energy: -86.928640
where:
bonds (distance) C4'-P energy: -18.318
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -17.944
flat angles P-C4'-P energy: -12.479
tors. eta vs tors. theta energy: -23.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -92.158482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.158482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.158482 (E_RNA)
where:
Base-Base interactions energy: -28.389
where: short stacking energy: -25.243
Base-Backbone interact. energy: -0.181
local terms energy: -63.588221
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -16.962
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -4.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -92.868796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.868796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.868796 (E_RNA)
where:
Base-Base interactions energy: -38.102
where: short stacking energy: -35.490
Base-Backbone interact. energy: -0.208
local terms energy: -54.558376
where:
bonds (distance) C4'-P energy: -11.916
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -4.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -140.463849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.463849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.463849 (E_RNA)
where:
Base-Base interactions energy: -76.953
where: short stacking energy: -35.759
Base-Backbone interact. energy: -0.598
local terms energy: -62.913195
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -11.266
flat angles C4'-P-C4' energy: -13.324
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -10.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -265.092640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.092640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.092640 (E_RNA)
where:
Base-Base interactions energy: -178.205
where: short stacking energy: -83.058
Base-Backbone interact. energy: -0.088
local terms energy: -86.799772
where:
bonds (distance) C4'-P energy: -11.661
bonds (distance) P-C4' energy: -19.249
flat angles C4'-P-C4' energy: -17.763
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -25.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -264.213111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.213111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.213111 (E_RNA)
where:
Base-Base interactions energy: -175.002
where: short stacking energy: -89.666
Base-Backbone interact. energy: -0.005
local terms energy: -89.206295
where:
bonds (distance) C4'-P energy: -12.616
bonds (distance) P-C4' energy: -15.915
flat angles C4'-P-C4' energy: -19.252
flat angles P-C4'-P energy: -14.305
tors. eta vs tors. theta energy: -27.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -247.037611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.037611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.037611 (E_RNA)
where:
Base-Base interactions energy: -164.046
where: short stacking energy: -73.445
Base-Backbone interact. energy: 1.720
local terms energy: -84.712152
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -17.801
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -24.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -252.195897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.195897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.195897 (E_RNA)
where:
Base-Base interactions energy: -164.017
where: short stacking energy: -80.811
Base-Backbone interact. energy: -0.741
local terms energy: -87.437987
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -18.280
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -24.908
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: 374
Temperature: 1.100000
Total energy: -235.446523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.446523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.446523 (E_RNA)
where:
Base-Base interactions energy: -155.390
where: short stacking energy: -74.133
Base-Backbone interact. energy: -0.220
local terms energy: -79.836889
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -16.027
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -8.827
tors. eta vs tors. theta energy: -23.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -231.948438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.948438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.948438 (E_RNA)
where:
Base-Base interactions energy: -151.299
where: short stacking energy: -67.487
Base-Backbone interact. energy: 0.173
local terms energy: -80.822188
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -8.830
tors. eta vs tors. theta energy: -25.832
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: 6
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -216.134733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.134733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.134733 (E_RNA)
where:
Base-Base interactions energy: -147.119
where: short stacking energy: -61.118
Base-Backbone interact. energy: -0.040
local terms energy: -68.975230
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -12.183
flat angles C4'-P-C4' energy: -14.455
flat angles P-C4'-P energy: -6.391
tors. eta vs tors. theta energy: -20.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -103.247614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.247614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.247614 (E_RNA)
where:
Base-Base interactions energy: -44.139
where: short stacking energy: -22.105
Base-Backbone interact. energy: -0.541
local terms energy: -58.568206
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -16.861
flat angles P-C4'-P energy: -11.731
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: 3
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -92.854913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.854913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.854913 (E_RNA)
where:
Base-Base interactions energy: -31.310
where: short stacking energy: -22.028
Base-Backbone interact. energy: -0.169
local terms energy: -61.376565
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -17.461
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -7.425
tors. eta vs tors. theta energy: -6.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -84.351305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.351305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.351305 (E_RNA)
where:
Base-Base interactions energy: -24.279
where: short stacking energy: -24.137
Base-Backbone interact. energy: -0.189
local terms energy: -59.883589
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -13.722
tors. eta vs tors. theta energy: -0.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -254.472648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.472648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.472648 (E_RNA)
where:
Base-Base interactions energy: -173.767
where: short stacking energy: -76.449
Base-Backbone interact. energy: -0.030
local terms energy: -80.675292
where:
bonds (distance) C4'-P energy: -14.701
bonds (distance) P-C4' energy: -15.172
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -11.471
tors. eta vs tors. theta energy: -22.426
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: 375
Temperature: 0.950000
Total energy: -256.154298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.154298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.154298 (E_RNA)
where:
Base-Base interactions energy: -168.273
where: short stacking energy: -78.117
Base-Backbone interact. energy: -0.007
local terms energy: -87.874253
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -19.146
flat angles P-C4'-P energy: -13.392
tors. eta vs tors. theta energy: -21.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -248.599388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.599388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.599388 (E_RNA)
where:
Base-Base interactions energy: -166.584
where: short stacking energy: -64.466
Base-Backbone interact. energy: -0.063
local terms energy: -81.952311
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -14.398
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: 9
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -241.987741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.987741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.987741 (E_RNA)
where:
Base-Base interactions energy: -158.653
where: short stacking energy: -74.575
Base-Backbone interact. energy: -0.085
local terms energy: -83.249480
where:
bonds (distance) C4'-P energy: -16.791
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -13.771
tors. eta vs tors. theta energy: -24.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -237.756277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.756277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.756277 (E_RNA)
where:
Base-Base interactions energy: -156.893
where: short stacking energy: -66.495
Base-Backbone interact. energy: -0.079
local terms energy: -80.784396
where:
bonds (distance) C4'-P energy: -11.612
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -19.434
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -20.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -233.071683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.071683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.071683 (E_RNA)
where:
Base-Base interactions energy: -152.806
where: short stacking energy: -76.197
Base-Backbone interact. energy: -0.170
local terms energy: -80.095930
where:
bonds (distance) C4'-P energy: -10.569
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -18.074
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -23.500
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: 6
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -227.333691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.333691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.333691 (E_RNA)
where:
Base-Base interactions energy: -147.347
where: short stacking energy: -70.443
Base-Backbone interact. energy: 1.828
local terms energy: -81.814533
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -12.232
flat angles C4'-P-C4' energy: -16.833
flat angles P-C4'-P energy: -12.603
tors. eta vs tors. theta energy: -23.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -97.188592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.188592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.188592 (E_RNA)
where:
Base-Base interactions energy: -39.278
where: short stacking energy: -37.357
Base-Backbone interact. energy: -0.901
local terms energy: -57.009718
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -8.099
tors. eta vs tors. theta energy: -1.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -99.751040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.751040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.751040 (E_RNA)
where:
Base-Base interactions energy: -47.404
where: short stacking energy: -29.122
Base-Backbone interact. energy: 0.890
local terms energy: -53.237127
where:
bonds (distance) C4'-P energy: -7.704
bonds (distance) P-C4' energy: -18.015
flat angles C4'-P-C4' energy: -10.414
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -5.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -79.609934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.609934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.609934 (E_RNA)
where:
Base-Base interactions energy: -24.349
where: short stacking energy: -18.049
Base-Backbone interact. energy: -0.425
local terms energy: -54.836104
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -4.955
tors. eta vs tors. theta energy: -1.805
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: 4
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -262.472037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.472037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.472037 (E_RNA)
where:
Base-Base interactions energy: -173.786
where: short stacking energy: -81.434
Base-Backbone interact. energy: -0.295
local terms energy: -88.390883
where:
bonds (distance) C4'-P energy: -16.869
bonds (distance) P-C4' energy: -16.972
flat angles C4'-P-C4' energy: -17.842
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -25.137
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: 2
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -254.635813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.635813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.635813 (E_RNA)
where:
Base-Base interactions energy: -164.037
where: short stacking energy: -74.135
Base-Backbone interact. energy: -0.084
local terms energy: -90.514891
where:
bonds (distance) C4'-P energy: -19.576
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -18.942
flat angles P-C4'-P energy: -12.725
tors. eta vs tors. theta energy: -24.126
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: 9
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -242.257217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.257217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.257217 (E_RNA)
where:
Base-Base interactions energy: -156.420
where: short stacking energy: -79.385
Base-Backbone interact. energy: -0.638
local terms energy: -85.199212
where:
bonds (distance) C4'-P energy: -12.218
bonds (distance) P-C4' energy: -18.636
flat angles C4'-P-C4' energy: -18.389
flat angles P-C4'-P energy: -13.158
tors. eta vs tors. theta energy: -22.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -246.465949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.465949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.465949 (E_RNA)
where:
Base-Base interactions energy: -162.908
where: short stacking energy: -75.135
Base-Backbone interact. energy: -0.044
local terms energy: -83.513850
where:
bonds (distance) C4'-P energy: -17.163
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -13.267
tors. eta vs tors. theta energy: -21.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -231.511018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.511018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.511018 (E_RNA)
where:
Base-Base interactions energy: -148.303
where: short stacking energy: -66.729
Base-Backbone interact. energy: 0.985
local terms energy: -84.192674
where:
bonds (distance) C4'-P energy: -19.841
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -20.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -213.911149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.911149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.911149 (E_RNA)
where:
Base-Base interactions energy: -140.566
where: short stacking energy: -70.424
Base-Backbone interact. energy: -0.017
local terms energy: -73.327795
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -17.549
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -18.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -208.487912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.487912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.487912 (E_RNA)
where:
Base-Base interactions energy: -128.244
where: short stacking energy: -57.243
Base-Backbone interact. energy: -0.058
local terms energy: -80.185440
where:
bonds (distance) C4'-P energy: -20.330
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -14.391
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: 8, replica: 7
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -96.132472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.132472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.132472 (E_RNA)
where:
Base-Base interactions energy: -35.553
where: short stacking energy: -29.501
Base-Backbone interact. energy: -1.199
local terms energy: -59.380830
where:
bonds (distance) C4'-P energy: -19.886
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: 1.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -90.178313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.178313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.178313 (E_RNA)
where:
Base-Base interactions energy: -37.287
where: short stacking energy: -19.949
Base-Backbone interact. energy: -1.149
local terms energy: -51.742479
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -12.751
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: 1.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -84.634643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.634643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.634643 (E_RNA)
where:
Base-Base interactions energy: -32.232
where: short stacking energy: -32.166
Base-Backbone interact. energy: -0.080
local terms energy: -52.322160
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -15.630
flat angles C4'-P-C4' energy: -11.104
flat angles P-C4'-P energy: -6.132
tors. eta vs tors. theta energy: -4.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -266.597704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.597704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.597704 (E_RNA)
where:
Base-Base interactions energy: -169.883
where: short stacking energy: -80.740
Base-Backbone interact. energy: -0.728
local terms energy: -95.986752
where:
bonds (distance) C4'-P energy: -20.072
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -18.738
flat angles P-C4'-P energy: -15.005
tors. eta vs tors. theta energy: -24.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -256.539384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.539384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.539384 (E_RNA)
where:
Base-Base interactions energy: -169.278
where: short stacking energy: -77.175
Base-Backbone interact. energy: -0.022
local terms energy: -87.239644
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -14.321
tors. eta vs tors. theta energy: -24.354
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: 9
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -246.969516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.969516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.969516 (E_RNA)
where:
Base-Base interactions energy: -162.982
where: short stacking energy: -68.315
Base-Backbone interact. energy: -0.278
local terms energy: -83.709106
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -17.349
flat angles C4'-P-C4' energy: -19.138
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -24.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -245.250672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.250672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.250672 (E_RNA)
where:
Base-Base interactions energy: -166.193
where: short stacking energy: -73.250
Base-Backbone interact. energy: -0.071
local terms energy: -78.987286
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -17.295
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -21.184
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: 10
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -216.741373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.741373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.741373 (E_RNA)
where:
Base-Base interactions energy: -140.752
where: short stacking energy: -69.571
Base-Backbone interact. energy: 0.352
local terms energy: -76.341237
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -18.202
flat angles P-C4'-P energy: -8.451
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: 6, replica: 5
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -211.848463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.848463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.848463 (E_RNA)
where:
Base-Base interactions energy: -130.586
where: short stacking energy: -57.723
Base-Backbone interact. energy: -0.091
local terms energy: -81.171196
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -20.173
flat angles P-C4'-P energy: -13.013
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: 6
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -208.644822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.644822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.644822 (E_RNA)
where:
Base-Base interactions energy: -136.650
where: short stacking energy: -53.431
Base-Backbone interact. energy: -0.026
local terms energy: -71.969357
where:
bonds (distance) C4'-P energy: -17.352
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -7.103
tors. eta vs tors. theta energy: -18.808
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: 8
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -100.930597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.930597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.930597 (E_RNA)
where:
Base-Base interactions energy: -45.172
where: short stacking energy: -25.682
Base-Backbone interact. energy: -0.274
local terms energy: -55.484528
where:
bonds (distance) C4'-P energy: -16.126
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -8.818
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -3.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -91.009765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.009765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.009765 (E_RNA)
where:
Base-Base interactions energy: -41.531
where: short stacking energy: -22.468
Base-Backbone interact. energy: -0.043
local terms energy: -49.436154
where:
bonds (distance) C4'-P energy: -10.734
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -3.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -87.604620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.604620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.604620 (E_RNA)
where:
Base-Base interactions energy: -38.036
where: short stacking energy: -27.302
Base-Backbone interact. energy: 0.155
local terms energy: -49.724112
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -5.816
tors. eta vs tors. theta energy: -2.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -263.105397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.105397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.105397 (E_RNA)
where:
Base-Base interactions energy: -174.312
where: short stacking energy: -82.576
Base-Backbone interact. energy: -0.181
local terms energy: -88.611751
where:
bonds (distance) C4'-P energy: -18.098
bonds (distance) P-C4' energy: -16.542
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -24.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -265.907156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.907156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.907156 (E_RNA)
where:
Base-Base interactions energy: -176.111
where: short stacking energy: -85.913
Base-Backbone interact. energy: -0.001
local terms energy: -89.794883
where:
bonds (distance) C4'-P energy: -17.734
bonds (distance) P-C4' energy: -19.733
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: -26.478
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: 1
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -261.337506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.337506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.337506 (E_RNA)
where:
Base-Base interactions energy: -168.154
where: short stacking energy: -72.619
Base-Backbone interact. energy: -1.439
local terms energy: -91.744341
where:
bonds (distance) C4'-P energy: -16.939
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -18.183
flat angles P-C4'-P energy: -13.658
tors. eta vs tors. theta energy: -25.100
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: 378
Temperature: 1.050000
Total energy: -225.563828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.563828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.563828 (E_RNA)
where:
Base-Base interactions energy: -140.092
where: short stacking energy: -73.897
Base-Backbone interact. energy: -0.220
local terms energy: -85.251920
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -13.661
tors. eta vs tors. theta energy: -21.500
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: 5
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -220.488597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.488597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.488597 (E_RNA)
where:
Base-Base interactions energy: -142.120
where: short stacking energy: -70.148
Base-Backbone interact. energy: -0.488
local terms energy: -77.880544
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -19.103
flat angles C4'-P-C4' energy: -17.730
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: -19.224
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: 10
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -211.076012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.076012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.076012 (E_RNA)
where:
Base-Base interactions energy: -133.886
where: short stacking energy: -66.605
Base-Backbone interact. energy: -0.203
local terms energy: -76.986409
where:
bonds (distance) C4'-P energy: -15.694
bonds (distance) P-C4' energy: -18.101
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: -20.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -201.117068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.117068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.117068 (E_RNA)
where:
Base-Base interactions energy: -132.854
where: short stacking energy: -57.843
Base-Backbone interact. energy: -0.417
local terms energy: -67.845629
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -9.940
flat angles C4'-P-C4' energy: -18.295
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -17.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -88.427597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.427597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.427597 (E_RNA)
where:
Base-Base interactions energy: -30.821
where: short stacking energy: -22.089
Base-Backbone interact. energy: -1.629
local terms energy: -55.977951
where:
bonds (distance) C4'-P energy: -11.781
bonds (distance) P-C4' energy: -19.588
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -8.482
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: 9, replica: 7
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -86.453191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.453191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.453191 (E_RNA)
where:
Base-Base interactions energy: -34.122
where: short stacking energy: -32.740
Base-Backbone interact. energy: -0.096
local terms energy: -52.235323
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -8.755
flat angles C4'-P-C4' energy: -17.619
flat angles P-C4'-P energy: -3.787
tors. eta vs tors. theta energy: -8.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -83.880014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.880014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.880014 (E_RNA)
where:
Base-Base interactions energy: -26.051
where: short stacking energy: -24.509
Base-Backbone interact. energy: -0.220
local terms energy: -57.609882
where:
bonds (distance) C4'-P energy: -10.554
bonds (distance) P-C4' energy: -16.496
flat angles C4'-P-C4' energy: -17.309
flat angles P-C4'-P energy: -9.718
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: 1, replica: 2
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -266.837778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.837778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.837778 (E_RNA)
where:
Base-Base interactions energy: -175.867
where: short stacking energy: -85.153
Base-Backbone interact. energy: 1.524
local terms energy: -92.494351
where:
bonds (distance) C4'-P energy: -16.237
bonds (distance) P-C4' energy: -18.974
flat angles C4'-P-C4' energy: -17.119
flat angles P-C4'-P energy: -11.885
tors. eta vs tors. theta energy: -28.280
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: 1
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -253.623317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.623317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.623317 (E_RNA)
where:
Base-Base interactions energy: -166.854
where: short stacking energy: -79.717
Base-Backbone interact. energy: -0.004
local terms energy: -86.765061
where:
bonds (distance) C4'-P energy: -16.906
bonds (distance) P-C4' energy: -15.189
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -12.757
tors. eta vs tors. theta energy: -25.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -244.728961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.728961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.728961 (E_RNA)
where:
Base-Base interactions energy: -161.595
where: short stacking energy: -76.226
Base-Backbone interact. energy: 1.011
local terms energy: -84.144744
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -13.260
flat angles C4'-P-C4' energy: -17.824
flat angles P-C4'-P energy: -13.785
tors. eta vs tors. theta energy: -25.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -236.585052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.585052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.585052 (E_RNA)
where:
Base-Base interactions energy: -150.748
where: short stacking energy: -70.558
Base-Backbone interact. energy: 0.201
local terms energy: -86.037408
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -17.933
flat angles P-C4'-P energy: -13.714
tors. eta vs tors. theta energy: -21.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -228.531217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.531217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.531217 (E_RNA)
where:
Base-Base interactions energy: -147.635
where: short stacking energy: -66.820
Base-Backbone interact. energy: -0.006
local terms energy: -80.890858
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -11.973
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: 6, replica: 10
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -235.305876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.305876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.305876 (E_RNA)
where:
Base-Base interactions energy: -154.505
where: short stacking energy: -71.344
Base-Backbone interact. energy: -0.009
local terms energy: -80.791842
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -16.292
flat angles C4'-P-C4' energy: -18.037
flat angles P-C4'-P energy: -6.764
tors. eta vs tors. theta energy: -24.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -170.825312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.825312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.825312 (E_RNA)
where:
Base-Base interactions energy: -99.720
where: short stacking energy: -46.194
Base-Backbone interact. energy: -0.340
local terms energy: -70.764923
where:
bonds (distance) C4'-P energy: -12.726
bonds (distance) P-C4' energy: -18.258
flat angles C4'-P-C4' energy: -17.989
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -11.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -102.989891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.989891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.989891 (E_RNA)
where:
Base-Base interactions energy: -43.382
where: short stacking energy: -43.382
Base-Backbone interact. energy: -0.008
local terms energy: -59.600395
where:
bonds (distance) C4'-P energy: -9.657
bonds (distance) P-C4' energy: -21.092
flat angles C4'-P-C4' energy: -11.758
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -7.690
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: 9, replica: 8
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -85.266741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.266741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.266741 (E_RNA)
where:
Base-Base interactions energy: -24.016
where: short stacking energy: -23.748
Base-Backbone interact. energy: -0.187
local terms energy: -61.063807
where:
bonds (distance) C4'-P energy: -16.662
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -6.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -70.874734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.874734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.874734 (E_RNA)
where:
Base-Base interactions energy: -18.245
where: short stacking energy: -18.245
Base-Backbone interact. energy: -0.168
local terms energy: -52.462026
where:
bonds (distance) C4'-P energy: -11.625
bonds (distance) P-C4' energy: -14.724
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: 0.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -263.722548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.722548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.722548 (E_RNA)
where:
Base-Base interactions energy: -170.183
where: short stacking energy: -83.223
Base-Backbone interact. energy: -0.093
local terms energy: -93.446240
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -21.544
flat angles C4'-P-C4' energy: -17.444
flat angles P-C4'-P energy: -13.746
tors. eta vs tors. theta energy: -26.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -250.292402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.292402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.292402 (E_RNA)
where:
Base-Base interactions energy: -165.139
where: short stacking energy: -87.415
Base-Backbone interact. energy: 1.705
local terms energy: -86.859300
where:
bonds (distance) C4'-P energy: -17.931
bonds (distance) P-C4' energy: -14.441
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -13.447
tors. eta vs tors. theta energy: -24.263
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: 3, replica: 5
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -245.715736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.715736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.715736 (E_RNA)
where:
Base-Base interactions energy: -156.072
where: short stacking energy: -78.972
Base-Backbone interact. energy: -0.099
local terms energy: -89.545425
where:
bonds (distance) C4'-P energy: -16.169
bonds (distance) P-C4' energy: -17.065
flat angles C4'-P-C4' energy: -19.112
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: -24.887
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: 4
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -244.261061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.261061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.261061 (E_RNA)
where:
Base-Base interactions energy: -165.869
where: short stacking energy: -69.699
Base-Backbone interact. energy: -0.117
local terms energy: -78.275150
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -17.836
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -26.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -224.354574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.354574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.354574 (E_RNA)
where:
Base-Base interactions energy: -157.789
where: short stacking energy: -72.778
Base-Backbone interact. energy: -0.495
local terms energy: -66.071534
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -15.708
flat angles C4'-P-C4' energy: -16.835
flat angles P-C4'-P energy: -4.908
tors. eta vs tors. theta energy: -17.661
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: 380
Temperature: 1.150000
Total energy: -214.985237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.985237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.985237 (E_RNA)
where:
Base-Base interactions energy: -138.382
where: short stacking energy: -70.339
Base-Backbone interact. energy: 0.086
local terms energy: -76.689409
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -12.660
flat angles C4'-P-C4' energy: -17.609
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: -21.385
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: 7, replica: 7
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -99.650620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.650620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.650620 (E_RNA)
where:
Base-Base interactions energy: -42.313
where: short stacking energy: -34.623
Base-Backbone interact. energy: 0.480
local terms energy: -57.817471
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -13.498
flat angles C4'-P-C4' energy: -20.080
flat angles P-C4'-P energy: -11.950
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: 8, replica: 6
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -211.703435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.703435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.703435 (E_RNA)
where:
Base-Base interactions energy: -137.649
where: short stacking energy: -60.566
Base-Backbone interact. energy: -0.058
local terms energy: -73.997300
where:
bonds (distance) C4'-P energy: -9.172
bonds (distance) P-C4' energy: -15.422
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -12.635
tors. eta vs tors. theta energy: -19.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -82.538148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.538148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.538148 (E_RNA)
where:
Base-Base interactions energy: -30.964
where: short stacking energy: -23.075
Base-Backbone interact. energy: -0.061
local terms energy: -51.513851
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -15.394
flat angles C4'-P-C4' energy: -12.590
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -1.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -77.324586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.324586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.324586 (E_RNA)
where:
Base-Base interactions energy: -26.256
where: short stacking energy: -26.256
Base-Backbone interact. energy: -0.281
local terms energy: -50.787912
where:
bonds (distance) C4'-P energy: -11.092
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -11.293
flat angles P-C4'-P energy: -9.207
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: 1
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -263.048492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.048492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.048492 (E_RNA)
where:
Base-Base interactions energy: -175.944
where: short stacking energy: -86.003
Base-Backbone interact. energy: -0.003
local terms energy: -87.101674
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -18.706
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -24.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -252.680797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.680797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.680797 (E_RNA)
where:
Base-Base interactions energy: -168.002
where: short stacking energy: -83.106
Base-Backbone interact. energy: -0.003
local terms energy: -84.675503
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -11.953
tors. eta vs tors. theta energy: -27.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -247.451402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.451402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.451402 (E_RNA)
where:
Base-Base interactions energy: -165.898
where: short stacking energy: -83.424
Base-Backbone interact. energy: -0.063
local terms energy: -81.490446
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -15.372
flat angles C4'-P-C4' energy: -16.475
flat angles P-C4'-P energy: -15.045
tors. eta vs tors. theta energy: -23.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -240.310360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.310360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.310360 (E_RNA)
where:
Base-Base interactions energy: -153.140
where: short stacking energy: -68.524
Base-Backbone interact. energy: -0.037
local terms energy: -87.133876
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -16.397
flat angles P-C4'-P energy: -14.093
tors. eta vs tors. theta energy: -23.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -240.901768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.901768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.901768 (E_RNA)
where:
Base-Base interactions energy: -164.306
where: short stacking energy: -68.286
Base-Backbone interact. energy: -0.057
local terms energy: -76.538817
where:
bonds (distance) C4'-P energy: -16.196
bonds (distance) P-C4' energy: -10.746
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -13.559
tors. eta vs tors. theta energy: -20.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -228.709071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.709071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.709071 (E_RNA)
where:
Base-Base interactions energy: -148.716
where: short stacking energy: -62.108
Base-Backbone interact. energy: -0.047
local terms energy: -79.945403
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -19.560
flat angles P-C4'-P energy: -14.764
tors. eta vs tors. theta energy: -17.654
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: 7
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -105.086066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.086066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.086066 (E_RNA)
where:
Base-Base interactions energy: -36.584
where: short stacking energy: -32.051
Base-Backbone interact. energy: 1.393
local terms energy: -69.895484
where:
bonds (distance) C4'-P energy: -16.426
bonds (distance) P-C4' energy: -18.923
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -13.427
tors. eta vs tors. theta energy: -7.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -213.131499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.131499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.131499 (E_RNA)
where:
Base-Base interactions energy: -143.456
where: short stacking energy: -59.155
Base-Backbone interact. energy: -0.029
local terms energy: -69.645787
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -15.319
flat angles C4'-P-C4' energy: -11.999
flat angles P-C4'-P energy: -7.184
tors. eta vs tors. theta energy: -19.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -81.850170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.850170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.850170 (E_RNA)
where:
Base-Base interactions energy: -25.659
where: short stacking energy: -18.842
Base-Backbone interact. energy: -1.095
local terms energy: -55.096899
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -12.670
tors. eta vs tors. theta energy: 1.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -82.654673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.654673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.654673 (E_RNA)
where:
Base-Base interactions energy: -21.145
where: short stacking energy: -21.145
Base-Backbone interact. energy: -0.178
local terms energy: -61.331543
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -7.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -262.755205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.755205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.755205 (E_RNA)
where:
Base-Base interactions energy: -168.758
where: short stacking energy: -84.939
Base-Backbone interact. energy: -0.015
local terms energy: -93.982883
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -19.397
flat angles C4'-P-C4' energy: -18.067
flat angles P-C4'-P energy: -14.055
tors. eta vs tors. theta energy: -24.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -255.600636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.600636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.600636 (E_RNA)
where:
Base-Base interactions energy: -162.124
where: short stacking energy: -75.282
Base-Backbone interact. energy: -0.035
local terms energy: -93.441687
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -18.926
flat angles C4'-P-C4' energy: -17.586
flat angles P-C4'-P energy: -15.454
tors. eta vs tors. theta energy: -25.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -237.530951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.530951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.530951 (E_RNA)
where:
Base-Base interactions energy: -154.684
where: short stacking energy: -68.918
Base-Backbone interact. energy: -0.160
local terms energy: -82.687552
where:
bonds (distance) C4'-P energy: -17.282
bonds (distance) P-C4' energy: -16.831
flat angles C4'-P-C4' energy: -18.307
flat angles P-C4'-P energy: -6.416
tors. eta vs tors. theta energy: -23.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -243.881075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.881075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.881075 (E_RNA)
where:
Base-Base interactions energy: -155.743
where: short stacking energy: -76.470
Base-Backbone interact. energy: -0.059
local terms energy: -88.078784
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -18.864
flat angles P-C4'-P energy: -14.562
tors. eta vs tors. theta energy: -22.772
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: 382
Temperature: 1.100000
Total energy: -246.339806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.339806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.339806 (E_RNA)
where:
Base-Base interactions energy: -162.378
where: short stacking energy: -78.301
Base-Backbone interact. energy: -0.003
local terms energy: -83.958242
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -20.230
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -13.063
tors. eta vs tors. theta energy: -23.546
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: 4
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -228.964782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.964782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.964782 (E_RNA)
where:
Base-Base interactions energy: -150.140
where: short stacking energy: -69.370
Base-Backbone interact. energy: 0.635
local terms energy: -79.459882
where:
bonds (distance) C4'-P energy: -11.222
bonds (distance) P-C4' energy: -18.265
flat angles C4'-P-C4' energy: -17.789
flat angles P-C4'-P energy: -13.258
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: 7, replica: 6
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -206.321365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.321365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.321365 (E_RNA)
where:
Base-Base interactions energy: -125.034
where: short stacking energy: -50.849
Base-Backbone interact. energy: -0.015
local terms energy: -81.272973
where:
bonds (distance) C4'-P energy: -18.288
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -13.168
tors. eta vs tors. theta energy: -19.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -97.143622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.143622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.143622 (E_RNA)
where:
Base-Base interactions energy: -43.668
where: short stacking energy: -39.671
Base-Backbone interact. energy: -0.031
local terms energy: -53.444944
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -11.150
flat angles C4'-P-C4' energy: -17.132
flat angles P-C4'-P energy: -2.664
tors. eta vs tors. theta energy: -10.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -75.305644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.305644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.305644 (E_RNA)
where:
Base-Base interactions energy: -39.589
where: short stacking energy: -33.458
Base-Backbone interact. energy: 0.703
local terms energy: -36.420512
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -13.538
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: 4.576
tors. eta vs tors. theta energy: 0.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -89.780112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.780112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.780112 (E_RNA)
where:
Base-Base interactions energy: -34.608
where: short stacking energy: -31.764
Base-Backbone interact. energy: 0.258
local terms energy: -55.430778
where:
bonds (distance) C4'-P energy: -9.860
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -11.183
flat angles P-C4'-P energy: -11.247
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: 1
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -261.243526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.243526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.243526 (E_RNA)
where:
Base-Base interactions energy: -172.679
where: short stacking energy: -81.683
Base-Backbone interact. energy: -0.005
local terms energy: -88.559553
where:
bonds (distance) C4'-P energy: -18.272
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -19.035
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -22.861
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: 2, replica: 5
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -262.702319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.702319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.702319 (E_RNA)
where:
Base-Base interactions energy: -172.068
where: short stacking energy: -79.433
Base-Backbone interact. energy: -0.485
local terms energy: -90.149302
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -18.265
flat angles P-C4'-P energy: -16.338
tors. eta vs tors. theta energy: -25.768
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: 10
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -245.277090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.277090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.277090 (E_RNA)
where:
Base-Base interactions energy: -163.071
where: short stacking energy: -74.681
Base-Backbone interact. energy: -0.026
local terms energy: -82.180116
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -19.433
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -22.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -248.907102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.907102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.907102 (E_RNA)
where:
Base-Base interactions energy: -165.148
where: short stacking energy: -71.077
Base-Backbone interact. energy: -0.020
local terms energy: -83.739427
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -19.846
flat angles C4'-P-C4' energy: -17.153
flat angles P-C4'-P energy: -12.782
tors. eta vs tors. theta energy: -21.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -224.226520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.226520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.226520 (E_RNA)
where:
Base-Base interactions energy: -161.256
where: short stacking energy: -56.346
Base-Backbone interact. energy: -0.138
local terms energy: -62.831745
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -13.488
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -7.423
tors. eta vs tors. theta energy: -13.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -221.197000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.197000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.197000 (E_RNA)
where:
Base-Base interactions energy: -137.608
where: short stacking energy: -63.519
Base-Backbone interact. energy: 1.452
local terms energy: -85.040611
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -18.179
flat angles C4'-P-C4' energy: -17.526
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -21.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -170.204960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.204960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.204960 (E_RNA)
where:
Base-Base interactions energy: -104.613
where: short stacking energy: -48.958
Base-Backbone interact. energy: -0.116
local terms energy: -65.475607
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -16.561
flat angles C4'-P-C4' energy: -9.833
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -13.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -100.800181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.800181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.800181 (E_RNA)
where:
Base-Base interactions energy: -55.637
where: short stacking energy: -43.708
Base-Backbone interact. energy: -0.266
local terms energy: -44.897325
where:
bonds (distance) C4'-P energy: -7.960
bonds (distance) P-C4' energy: -15.098
flat angles C4'-P-C4' energy: -11.510
flat angles P-C4'-P energy: -11.052
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: 9, replica: 7
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -84.365765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.365765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.365765 (E_RNA)
where:
Base-Base interactions energy: -28.337
where: short stacking energy: -25.756
Base-Backbone interact. energy: -0.272
local terms energy: -55.757143
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -8.882
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: -4.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -71.657427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.657427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.657427 (E_RNA)
where:
Base-Base interactions energy: -20.942
where: short stacking energy: -20.375
Base-Backbone interact. energy: 0.253
local terms energy: -50.967705
where:
bonds (distance) C4'-P energy: -4.725
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -4.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -268.412771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.412771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.412771 (E_RNA)
where:
Base-Base interactions energy: -178.719
where: short stacking energy: -80.448
Base-Backbone interact. energy: -0.020
local terms energy: -89.674107
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -20.443
flat angles P-C4'-P energy: -13.875
tors. eta vs tors. theta energy: -26.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -256.269729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.269729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.269729 (E_RNA)
where:
Base-Base interactions energy: -165.044
where: short stacking energy: -79.006
Base-Backbone interact. energy: -0.004
local terms energy: -91.221703
where:
bonds (distance) C4'-P energy: -17.378
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -15.388
tors. eta vs tors. theta energy: -23.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -256.659182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.659182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.659182 (E_RNA)
where:
Base-Base interactions energy: -168.249
where: short stacking energy: -84.027
Base-Backbone interact. energy: -0.011
local terms energy: -88.399231
where:
bonds (distance) C4'-P energy: -16.670
bonds (distance) P-C4' energy: -18.981
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -12.198
tors. eta vs tors. theta energy: -24.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -238.337836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.337836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.337836 (E_RNA)
where:
Base-Base interactions energy: -154.324
where: short stacking energy: -69.382
Base-Backbone interact. energy: -0.087
local terms energy: -83.926818
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -17.243
flat angles C4'-P-C4' energy: -18.640
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -21.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -226.085155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.085155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.085155 (E_RNA)
where:
Base-Base interactions energy: -143.735
where: short stacking energy: -59.827
Base-Backbone interact. energy: -0.134
local terms energy: -82.216543
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -16.872
flat angles C4'-P-C4' energy: -16.867
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -23.894
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: 9
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -201.199952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.199952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.199952 (E_RNA)
where:
Base-Base interactions energy: -134.430
where: short stacking energy: -59.704
Base-Backbone interact. energy: -0.162
local terms energy: -66.607755
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -13.726
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -9.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -236.439794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.439794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.439794 (E_RNA)
where:
Base-Base interactions energy: -151.385
where: short stacking energy: -73.455
Base-Backbone interact. energy: -0.099
local terms energy: -84.955795
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -15.185
tors. eta vs tors. theta energy: -25.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -90.965842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.965842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.965842 (E_RNA)
where:
Base-Base interactions energy: -45.888
where: short stacking energy: -34.392
Base-Backbone interact. energy: -0.156
local terms energy: -44.922138
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -12.560
flat angles C4'-P-C4' energy: -11.705
flat angles P-C4'-P energy: -2.813
tors. eta vs tors. theta energy: -4.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -104.376102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.376102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.376102 (E_RNA)
where:
Base-Base interactions energy: -41.393
where: short stacking energy: -38.666
Base-Backbone interact. energy: -0.000
local terms energy: -62.982648
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -12.327
flat angles C4'-P-C4' energy: -17.901
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -6.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -91.802275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.802275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.802275 (E_RNA)
where:
Base-Base interactions energy: -31.769
where: short stacking energy: -31.718
Base-Backbone interact. energy: -0.246
local terms energy: -59.787297
where:
bonds (distance) C4'-P energy: -12.593
bonds (distance) P-C4' energy: -18.639
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -6.339
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: 1, replica: 5
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -267.800645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.800645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.800645 (E_RNA)
where:
Base-Base interactions energy: -174.673
where: short stacking energy: -78.028
Base-Backbone interact. energy: 0.047
local terms energy: -93.175159
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -17.067
flat angles C4'-P-C4' energy: -19.340
flat angles P-C4'-P energy: -15.778
tors. eta vs tors. theta energy: -25.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -257.517720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.517720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.517720 (E_RNA)
where:
Base-Base interactions energy: -171.934
where: short stacking energy: -77.813
Base-Backbone interact. energy: 2.339
local terms energy: -87.922772
where:
bonds (distance) C4'-P energy: -19.031
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -11.589
tors. eta vs tors. theta energy: -25.293
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: 385
Temperature: 1.000000
Total energy: -246.749529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.749529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.749529 (E_RNA)
where:
Base-Base interactions energy: -159.300
where: short stacking energy: -71.694
Base-Backbone interact. energy: -0.047
local terms energy: -87.402163
where:
bonds (distance) C4'-P energy: -18.128
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -18.058
flat angles P-C4'-P energy: -13.201
tors. eta vs tors. theta energy: -21.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -243.344536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.344536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.344536 (E_RNA)
where:
Base-Base interactions energy: -165.536
where: short stacking energy: -77.261
Base-Backbone interact. energy: -0.162
local terms energy: -77.646915
where:
bonds (distance) C4'-P energy: -16.387
bonds (distance) P-C4' energy: -10.681
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -13.537
tors. eta vs tors. theta energy: -23.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -228.975861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.975861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.975861 (E_RNA)
where:
Base-Base interactions energy: -145.113
where: short stacking energy: -63.124
Base-Backbone interact. energy: -0.096
local terms energy: -83.766737
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -13.011
tors. eta vs tors. theta energy: -21.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -226.030596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.030596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.030596 (E_RNA)
where:
Base-Base interactions energy: -147.113
where: short stacking energy: -70.562
Base-Backbone interact. energy: -0.005
local terms energy: -78.912482
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -19.292
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -6.825
tors. eta vs tors. theta energy: -20.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -198.545941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.545941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.545941 (E_RNA)
where:
Base-Base interactions energy: -128.251
where: short stacking energy: -51.868
Base-Backbone interact. energy: -0.112
local terms energy: -70.182692
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -10.489
flat angles C4'-P-C4' energy: -16.205
flat angles P-C4'-P energy: -13.777
tors. eta vs tors. theta energy: -16.570
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: 8
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -86.411175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.411175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.411175 (E_RNA)
where:
Base-Base interactions energy: -31.577
where: short stacking energy: -30.108
Base-Backbone interact. energy: 0.527
local terms energy: -55.360874
where:
bonds (distance) C4'-P energy: -18.277
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -12.201
flat angles P-C4'-P energy: -7.898
tors. eta vs tors. theta energy: -2.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -111.505713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.505713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.505713 (E_RNA)
where:
Base-Base interactions energy: -53.506
where: short stacking energy: -38.511
Base-Backbone interact. energy: 0.089
local terms energy: -58.088947
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -13.313
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: -7.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -82.192318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.192318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.192318 (E_RNA)
where:
Base-Base interactions energy: -38.607
where: short stacking energy: -31.424
Base-Backbone interact. energy: -0.293
local terms energy: -43.292855
where:
bonds (distance) C4'-P energy: -8.858
bonds (distance) P-C4' energy: -12.371
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -6.940
tors. eta vs tors. theta energy: 1.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -262.145068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.145068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.145068 (E_RNA)
where:
Base-Base interactions energy: -172.525
where: short stacking energy: -81.972
Base-Backbone interact. energy: -0.069
local terms energy: -89.550866
where:
bonds (distance) C4'-P energy: -18.847
bonds (distance) P-C4' energy: -18.181
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -26.234
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: 5
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -261.238158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.238158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.238158 (E_RNA)
where:
Base-Base interactions energy: -169.080
where: short stacking energy: -88.247
Base-Backbone interact. energy: -0.622
local terms energy: -91.535742
where:
bonds (distance) C4'-P energy: -10.733
bonds (distance) P-C4' energy: -19.324
flat angles C4'-P-C4' energy: -20.311
flat angles P-C4'-P energy: -12.898
tors. eta vs tors. theta energy: -28.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -261.798098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.798098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.798098 (E_RNA)
where:
Base-Base interactions energy: -173.264
where: short stacking energy: -84.071
Base-Backbone interact. energy: -0.027
local terms energy: -88.507068
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -17.554
flat angles C4'-P-C4' energy: -18.407
flat angles P-C4'-P energy: -13.549
tors. eta vs tors. theta energy: -26.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -238.124257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.124257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.124257 (E_RNA)
where:
Base-Base interactions energy: -153.521
where: short stacking energy: -81.396
Base-Backbone interact. energy: -0.087
local terms energy: -84.516183
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -19.233
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -23.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -236.212253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.212253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.212253 (E_RNA)
where:
Base-Base interactions energy: -152.740
where: short stacking energy: -74.767
Base-Backbone interact. energy: -0.008
local terms energy: -83.463844
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -18.093
flat angles P-C4'-P energy: -13.275
tors. eta vs tors. theta energy: -24.141
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: 6, replica: 2
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -208.471963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.471963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.471963 (E_RNA)
where:
Base-Base interactions energy: -137.968
where: short stacking energy: -69.980
Base-Backbone interact. energy: -0.105
local terms energy: -70.399470
where:
bonds (distance) C4'-P energy: -7.040
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -18.703
flat angles P-C4'-P energy: -11.207
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: 7, replica: 9
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -210.918441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.918441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.918441 (E_RNA)
where:
Base-Base interactions energy: -132.802
where: short stacking energy: -53.979
Base-Backbone interact. energy: 0.147
local terms energy: -78.263799
where:
bonds (distance) C4'-P energy: -19.734
bonds (distance) P-C4' energy: -13.625
flat angles C4'-P-C4' energy: -17.279
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -16.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -111.437286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.437286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.437286 (E_RNA)
where:
Base-Base interactions energy: -49.950
where: short stacking energy: -31.799
Base-Backbone interact. energy: 0.146
local terms energy: -61.633120
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -17.920
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -7.361
tors. eta vs tors. theta energy: -5.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -84.022818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.022818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.022818 (E_RNA)
where:
Base-Base interactions energy: -42.392
where: short stacking energy: -33.188
Base-Backbone interact. energy: -0.295
local terms energy: -41.336147
where:
bonds (distance) C4'-P energy: -10.775
bonds (distance) P-C4' energy: -13.115
flat angles C4'-P-C4' energy: -11.604
flat angles P-C4'-P energy: -8.882
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: 10, replica: 3
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -80.741685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.741685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.741685 (E_RNA)
where:
Base-Base interactions energy: -27.527
where: short stacking energy: -27.527
Base-Backbone interact. energy: -0.250
local terms energy: -52.964986
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -16.039
flat angles C4'-P-C4' energy: -12.823
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: -2.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -254.974856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.974856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.974856 (E_RNA)
where:
Base-Base interactions energy: -161.872
where: short stacking energy: -77.504
Base-Backbone interact. energy: -0.208
local terms energy: -92.894775
where:
bonds (distance) C4'-P energy: -18.587
bonds (distance) P-C4' energy: -18.006
flat angles C4'-P-C4' energy: -17.991
flat angles P-C4'-P energy: -14.201
tors. eta vs tors. theta energy: -24.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -260.915216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.915216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.915216 (E_RNA)
where:
Base-Base interactions energy: -174.201
where: short stacking energy: -85.714
Base-Backbone interact. energy: -0.018
local terms energy: -86.696006
where:
bonds (distance) C4'-P energy: -15.929
bonds (distance) P-C4' energy: -16.990
flat angles C4'-P-C4' energy: -17.445
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -26.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -254.374903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.374903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.374903 (E_RNA)
where:
Base-Base interactions energy: -167.647
where: short stacking energy: -74.474
Base-Backbone interact. energy: -0.170
local terms energy: -86.558035
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -18.136
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -13.628
tors. eta vs tors. theta energy: -24.650
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: 6
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -228.639612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.639612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.639612 (E_RNA)
where:
Base-Base interactions energy: -149.546
where: short stacking energy: -62.465
Base-Backbone interact. energy: -0.200
local terms energy: -78.892781
where:
bonds (distance) C4'-P energy: -18.562
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -10.779
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: 5, replica: 1
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -238.410704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.410704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.410704 (E_RNA)
where:
Base-Base interactions energy: -157.922
where: short stacking energy: -69.944
Base-Backbone interact. energy: -0.001
local terms energy: -80.488114
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -17.334
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -23.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -230.012972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.012972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.012972 (E_RNA)
where:
Base-Base interactions energy: -153.078
where: short stacking energy: -76.372
Base-Backbone interact. energy: -0.070
local terms energy: -76.864966
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -17.636
flat angles P-C4'-P energy: -9.020
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: 2
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -208.660280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.660280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.660280 (E_RNA)
where:
Base-Base interactions energy: -139.524
where: short stacking energy: -64.313
Base-Backbone interact. energy: -0.006
local terms energy: -69.130396
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -19.978
flat angles P-C4'-P energy: -4.748
tors. eta vs tors. theta energy: -18.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -93.099478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.099478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.099478 (E_RNA)
where:
Base-Base interactions energy: -36.718
where: short stacking energy: -26.731
Base-Backbone interact. energy: -0.544
local terms energy: -55.837927
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -18.442
flat angles C4'-P-C4' energy: -12.110
flat angles P-C4'-P energy: -11.753
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: 9, replica: 7
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -85.889085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.889085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.889085 (E_RNA)
where:
Base-Base interactions energy: -27.689
where: short stacking energy: -27.689
Base-Backbone interact. energy: -0.208
local terms energy: -57.992332
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -18.314
flat angles C4'-P-C4' energy: -10.400
flat angles P-C4'-P energy: -11.112
tors. eta vs tors. theta energy: -3.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -85.058719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.058719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.058719 (E_RNA)
where:
Base-Base interactions energy: -28.888
where: short stacking energy: -22.724
Base-Backbone interact. energy: -0.283
local terms energy: -55.887328
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -10.951
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -5.894
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: 10
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -260.842035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.842035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.842035 (E_RNA)
where:
Base-Base interactions energy: -168.497
where: short stacking energy: -76.988
Base-Backbone interact. energy: -0.001
local terms energy: -92.343461
where:
bonds (distance) C4'-P energy: -18.810
bonds (distance) P-C4' energy: -19.267
flat angles C4'-P-C4' energy: -18.342
flat angles P-C4'-P energy: -11.483
tors. eta vs tors. theta energy: -24.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -261.170577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.170577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.170577 (E_RNA)
where:
Base-Base interactions energy: -175.728
where: short stacking energy: -77.330
Base-Backbone interact. energy: -0.011
local terms energy: -85.431600
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -17.776
flat angles P-C4'-P energy: -13.264
tors. eta vs tors. theta energy: -25.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -252.829867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.829867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.829867 (E_RNA)
where:
Base-Base interactions energy: -164.550
where: short stacking energy: -84.486
Base-Backbone interact. energy: -0.034
local terms energy: -88.245935
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -17.470
flat angles P-C4'-P energy: -13.373
tors. eta vs tors. theta energy: -27.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -210.422224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.422224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.422224 (E_RNA)
where:
Base-Base interactions energy: -138.549
where: short stacking energy: -60.163
Base-Backbone interact. energy: -0.293
local terms energy: -71.580212
where:
bonds (distance) C4'-P energy: -9.487
bonds (distance) P-C4' energy: -11.779
flat angles C4'-P-C4' energy: -20.459
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -19.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -239.604516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.604516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.604516 (E_RNA)
where:
Base-Base interactions energy: -154.263
where: short stacking energy: -81.714
Base-Backbone interact. energy: -0.121
local terms energy: -85.220527
where:
bonds (distance) C4'-P energy: -13.591
bonds (distance) P-C4' energy: -17.390
flat angles C4'-P-C4' energy: -17.236
flat angles P-C4'-P energy: -14.775
tors. eta vs tors. theta energy: -22.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -226.103255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.103255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.103255 (E_RNA)
where:
Base-Base interactions energy: -154.787
where: short stacking energy: -68.952
Base-Backbone interact. energy: -0.055
local terms energy: -71.261447
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -10.126
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -19.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -209.938376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.938376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.938376 (E_RNA)
where:
Base-Base interactions energy: -138.898
where: short stacking energy: -62.795
Base-Backbone interact. energy: -0.126
local terms energy: -70.914346
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -17.286
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -5.777
tors. eta vs tors. theta energy: -18.608
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: 8
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -98.642584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.642584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.642584 (E_RNA)
where:
Base-Base interactions energy: -36.055
where: short stacking energy: -32.913
Base-Backbone interact. energy: -0.516
local terms energy: -62.070966
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -9.188
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -11.451
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: 3
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -76.148966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.148966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.148966 (E_RNA)
where:
Base-Base interactions energy: -27.171
where: short stacking energy: -21.152
Base-Backbone interact. energy: 0.202
local terms energy: -49.180687
where:
bonds (distance) C4'-P energy: -16.161
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -9.910
flat angles P-C4'-P energy: -5.893
tors. eta vs tors. theta energy: -3.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -74.479851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.479851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.479851 (E_RNA)
where:
Base-Base interactions energy: -13.466
where: short stacking energy: -12.301
Base-Backbone interact. energy: -0.123
local terms energy: -60.890775
where:
bonds (distance) C4'-P energy: -18.049
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -16.381
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: 2.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -258.252209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.252209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.252209 (E_RNA)
where:
Base-Base interactions energy: -163.468
where: short stacking energy: -77.768
Base-Backbone interact. energy: -0.070
local terms energy: -94.713865
where:
bonds (distance) C4'-P energy: -16.848
bonds (distance) P-C4' energy: -20.699
flat angles C4'-P-C4' energy: -18.538
flat angles P-C4'-P energy: -14.954
tors. eta vs tors. theta energy: -23.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -266.228095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.228095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.228095 (E_RNA)
where:
Base-Base interactions energy: -179.251
where: short stacking energy: -82.192
Base-Backbone interact. energy: -0.010
local terms energy: -86.966613
where:
bonds (distance) C4'-P energy: -14.089
bonds (distance) P-C4' energy: -17.805
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -13.846
tors. eta vs tors. theta energy: -26.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -260.873564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.873564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.873564 (E_RNA)
where:
Base-Base interactions energy: -170.797
where: short stacking energy: -86.546
Base-Backbone interact. energy: -0.001
local terms energy: -90.076037
where:
bonds (distance) C4'-P energy: -15.777
bonds (distance) P-C4' energy: -13.521
flat angles C4'-P-C4' energy: -20.896
flat angles P-C4'-P energy: -11.754
tors. eta vs tors. theta energy: -28.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -223.604213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.604213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.604213 (E_RNA)
where:
Base-Base interactions energy: -145.428
where: short stacking energy: -59.734
Base-Backbone interact. energy: -0.213
local terms energy: -77.962682
where:
bonds (distance) C4'-P energy: -19.290
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -17.570
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -15.286
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: -220.717543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.717543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.717543 (E_RNA)
where:
Base-Base interactions energy: -143.386
where: short stacking energy: -62.980
Base-Backbone interact. energy: -0.112
local terms energy: -77.219538
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -17.526
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -16.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -221.577972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.577972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.577972 (E_RNA)
where:
Base-Base interactions energy: -147.983
where: short stacking energy: -66.648
Base-Backbone interact. energy: 0.570
local terms energy: -74.165308
where:
bonds (distance) C4'-P energy: -16.035
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -8.635
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: 7, replica: 1
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -211.748560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.748560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.748560 (E_RNA)
where:
Base-Base interactions energy: -135.930
where: short stacking energy: -58.692
Base-Backbone interact. energy: -0.181
local terms energy: -75.637801
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -16.074
flat angles C4'-P-C4' energy: -16.820
flat angles P-C4'-P energy: -4.765
tors. eta vs tors. theta energy: -20.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -95.570648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.570648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.570648 (E_RNA)
where:
Base-Base interactions energy: -29.512
where: short stacking energy: -29.512
Base-Backbone interact. energy: -0.021
local terms energy: -66.037647
where:
bonds (distance) C4'-P energy: -19.845
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -16.949
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -5.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -86.515723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.515723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.515723 (E_RNA)
where:
Base-Base interactions energy: -34.921
where: short stacking energy: -27.426
Base-Backbone interact. energy: -0.223
local terms energy: -51.371191
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -17.943
flat angles P-C4'-P energy: 2.649
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: 389
Temperature: 1.350000
Total energy: -84.459841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.459841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.459841 (E_RNA)
where:
Base-Base interactions energy: -31.226
where: short stacking energy: -18.503
Base-Backbone interact. energy: -0.295
local terms energy: -52.939069
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -19.024
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -13.027
tors. eta vs tors. theta energy: 3.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -271.252002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.252002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.252002 (E_RNA)
where:
Base-Base interactions energy: -175.006
where: short stacking energy: -83.926
Base-Backbone interact. energy: 0.189
local terms energy: -96.435092
where:
bonds (distance) C4'-P energy: -20.767
bonds (distance) P-C4' energy: -16.468
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -14.561
tors. eta vs tors. theta energy: -27.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -255.339933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.339933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.339933 (E_RNA)
where:
Base-Base interactions energy: -164.068
where: short stacking energy: -77.946
Base-Backbone interact. energy: -0.073
local terms energy: -91.198996
where:
bonds (distance) C4'-P energy: -17.817
bonds (distance) P-C4' energy: -17.847
flat angles C4'-P-C4' energy: -17.134
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -26.174
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: 3, replica: 4
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -257.511492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.511492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.511492 (E_RNA)
where:
Base-Base interactions energy: -168.890
where: short stacking energy: -92.011
Base-Backbone interact. energy: -0.081
local terms energy: -88.540392
where:
bonds (distance) C4'-P energy: -9.616
bonds (distance) P-C4' energy: -18.763
flat angles C4'-P-C4' energy: -20.675
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: -27.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -237.764292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.764292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.764292 (E_RNA)
where:
Base-Base interactions energy: -156.661
where: short stacking energy: -71.566
Base-Backbone interact. energy: -0.004
local terms energy: -81.099516
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -17.608
flat angles P-C4'-P energy: -11.874
tors. eta vs tors. theta energy: -26.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -231.480078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.480078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.480078 (E_RNA)
where:
Base-Base interactions energy: -150.968
where: short stacking energy: -67.539
Base-Backbone interact. energy: -0.050
local terms energy: -80.462792
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -13.403
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -15.937
tors. eta vs tors. theta energy: -20.900
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: 2
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -226.725636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.725636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.725636 (E_RNA)
where:
Base-Base interactions energy: -148.010
where: short stacking energy: -62.057
Base-Backbone interact. energy: -0.003
local terms energy: -78.712453
where:
bonds (distance) C4'-P energy: -17.701
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -16.989
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: -18.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -194.472552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.472552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.472552 (E_RNA)
where:
Base-Base interactions energy: -124.221
where: short stacking energy: -61.756
Base-Backbone interact. energy: 1.030
local terms energy: -71.281621
where:
bonds (distance) C4'-P energy: -11.898
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -16.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -100.712359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.712359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.712359 (E_RNA)
where:
Base-Base interactions energy: -45.094
where: short stacking energy: -38.538
Base-Backbone interact. energy: -0.118
local terms energy: -55.500747
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -6.082
tors. eta vs tors. theta energy: -0.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -98.799164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.799164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.799164 (E_RNA)
where:
Base-Base interactions energy: -38.343
where: short stacking energy: -23.951
Base-Backbone interact. energy: -0.653
local terms energy: -59.802924
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -17.100
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -13.358
tors. eta vs tors. theta energy: -2.324
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: 8
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -97.654694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.654694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.654694 (E_RNA)
where:
Base-Base interactions energy: -42.998
where: short stacking energy: -33.391
Base-Backbone interact. energy: -0.113
local terms energy: -54.543271
where:
bonds (distance) C4'-P energy: -14.233
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -11.088
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: -3.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -267.232327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.232327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.232327 (E_RNA)
where:
Base-Base interactions energy: -176.987
where: short stacking energy: -73.504
Base-Backbone interact. energy: 0.265
local terms energy: -90.510485
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -19.129
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -16.050
tors. eta vs tors. theta energy: -23.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -259.550905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.550905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.550905 (E_RNA)
where:
Base-Base interactions energy: -168.745
where: short stacking energy: -81.431
Base-Backbone interact. energy: 0.029
local terms energy: -90.834442
where:
bonds (distance) C4'-P energy: -17.290
bonds (distance) P-C4' energy: -18.305
flat angles C4'-P-C4' energy: -17.284
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -27.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -249.649109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.649109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.649109 (E_RNA)
where:
Base-Base interactions energy: -166.819
where: short stacking energy: -78.877
Base-Backbone interact. energy: -0.038
local terms energy: -82.791751
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -13.561
flat angles C4'-P-C4' energy: -17.524
flat angles P-C4'-P energy: -15.418
tors. eta vs tors. theta energy: -23.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -239.456800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.456800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.456800 (E_RNA)
where:
Base-Base interactions energy: -155.146
where: short stacking energy: -70.280
Base-Backbone interact. energy: -0.106
local terms energy: -84.205049
where:
bonds (distance) C4'-P energy: -18.048
bonds (distance) P-C4' energy: -18.397
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -11.134
tors. eta vs tors. theta energy: -22.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -220.863241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.863241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.863241 (E_RNA)
where:
Base-Base interactions energy: -147.158
where: short stacking energy: -65.116
Base-Backbone interact. energy: -0.639
local terms energy: -73.066211
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -20.552
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: 2
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -243.929799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.929799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.929799 (E_RNA)
where:
Base-Base interactions energy: -161.304
where: short stacking energy: -82.127
Base-Backbone interact. energy: -0.041
local terms energy: -82.584415
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -14.512
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -25.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -205.040087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.040087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.040087 (E_RNA)
where:
Base-Base interactions energy: -137.744
where: short stacking energy: -53.191
Base-Backbone interact. energy: -0.145
local terms energy: -67.151311
where:
bonds (distance) C4'-P energy: -10.473
bonds (distance) P-C4' energy: -19.849
flat angles C4'-P-C4' energy: -11.652
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -16.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -96.076001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.076001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.076001 (E_RNA)
where:
Base-Base interactions energy: -35.021
where: short stacking energy: -24.775
Base-Backbone interact. energy: 1.773
local terms energy: -62.828861
where:
bonds (distance) C4'-P energy: -18.716
bonds (distance) P-C4' energy: -16.127
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: -3.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -91.486762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.486762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.486762 (E_RNA)
where:
Base-Base interactions energy: -35.871
where: short stacking energy: -35.871
Base-Backbone interact. energy: -0.074
local terms energy: -55.541578
where:
bonds (distance) C4'-P energy: -8.704
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -11.891
flat angles P-C4'-P energy: -11.988
tors. eta vs tors. theta energy: -6.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -83.210729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.210729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.210729 (E_RNA)
where:
Base-Base interactions energy: -23.813
where: short stacking energy: -23.813
Base-Backbone interact. energy: -0.191
local terms energy: -59.206998
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -18.227
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -2.613
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: 5
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -262.322463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.322463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.322463 (E_RNA)
where:
Base-Base interactions energy: -178.417
where: short stacking energy: -91.468
Base-Backbone interact. energy: -0.173
local terms energy: -83.732256
where:
bonds (distance) C4'-P energy: -16.149
bonds (distance) P-C4' energy: -14.760
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -25.634
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: 392
Temperature: 0.950000
Total energy: -244.751026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.751026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.751026 (E_RNA)
where:
Base-Base interactions energy: -162.137
where: short stacking energy: -73.433
Base-Backbone interact. energy: 0.383
local terms energy: -82.997476
where:
bonds (distance) C4'-P energy: -11.740
bonds (distance) P-C4' energy: -20.368
flat angles C4'-P-C4' energy: -16.594
flat angles P-C4'-P energy: -14.057
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: 3, replica: 4
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -255.968414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.968414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.968414 (E_RNA)
where:
Base-Base interactions energy: -166.681
where: short stacking energy: -81.779
Base-Backbone interact. energy: -0.273
local terms energy: -89.014225
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -14.767
flat angles C4'-P-C4' energy: -19.310
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -26.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -233.300116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.300116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.300116 (E_RNA)
where:
Base-Base interactions energy: -149.977
where: short stacking energy: -68.122
Base-Backbone interact. energy: -0.044
local terms energy: -83.278877
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -11.703
flat angles C4'-P-C4' energy: -18.707
flat angles P-C4'-P energy: -12.244
tors. eta vs tors. theta energy: -24.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -238.356630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.356630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.356630 (E_RNA)
where:
Base-Base interactions energy: -159.779
where: short stacking energy: -78.977
Base-Backbone interact. energy: -0.208
local terms energy: -78.369025
where:
bonds (distance) C4'-P energy: -10.182
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -17.904
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -23.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -218.415516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.415516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.415516 (E_RNA)
where:
Base-Base interactions energy: -147.552
where: short stacking energy: -67.175
Base-Backbone interact. energy: -0.300
local terms energy: -70.563707
where:
bonds (distance) C4'-P energy: -6.005
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -18.253
flat angles P-C4'-P energy: -8.318
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: 7, replica: 1
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -222.053217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.053217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.053217 (E_RNA)
where:
Base-Base interactions energy: -143.534
where: short stacking energy: -70.448
Base-Backbone interact. energy: 0.957
local terms energy: -79.477011
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -19.190
flat angles C4'-P-C4' energy: -17.931
flat angles P-C4'-P energy: -4.837
tors. eta vs tors. theta energy: -23.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -96.866799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.866799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.866799 (E_RNA)
where:
Base-Base interactions energy: -47.646
where: short stacking energy: -38.501
Base-Backbone interact. energy: -0.172
local terms energy: -49.048426
where:
bonds (distance) C4'-P energy: -8.984
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -9.703
flat angles P-C4'-P energy: -9.668
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: 8
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -92.730258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.730258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.730258 (E_RNA)
where:
Base-Base interactions energy: -33.894
where: short stacking energy: -30.929
Base-Backbone interact. energy: 0.066
local terms energy: -58.901397
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -17.099
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -0.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -79.158958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.158958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.158958 (E_RNA)
where:
Base-Base interactions energy: -27.080
where: short stacking energy: -22.062
Base-Backbone interact. energy: -0.352
local terms energy: -51.727024
where:
bonds (distance) C4'-P energy: -12.879
bonds (distance) P-C4' energy: -9.119
flat angles C4'-P-C4' energy: -19.797
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -0.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -260.059498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.059498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.059498 (E_RNA)
where:
Base-Base interactions energy: -168.281
where: short stacking energy: -83.213
Base-Backbone interact. energy: -0.033
local terms energy: -91.745557
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -13.585
tors. eta vs tors. theta energy: -27.080
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: 4
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -256.552932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.552932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.552932 (E_RNA)
where:
Base-Base interactions energy: -170.648
where: short stacking energy: -77.607
Base-Backbone interact. energy: -0.075
local terms energy: -85.829573
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -18.872
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -26.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -250.079733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.079733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.079733 (E_RNA)
where:
Base-Base interactions energy: -161.381
where: short stacking energy: -74.694
Base-Backbone interact. energy: -0.007
local terms energy: -88.692567
where:
bonds (distance) C4'-P energy: -18.156
bonds (distance) P-C4' energy: -18.026
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -13.944
tors. eta vs tors. theta energy: -23.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -241.551048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.551048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.551048 (E_RNA)
where:
Base-Base interactions energy: -159.070
where: short stacking energy: -78.780
Base-Backbone interact. energy: -1.134
local terms energy: -81.347455
where:
bonds (distance) C4'-P energy: -14.949
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -18.858
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -20.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -241.364950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.364950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.364950 (E_RNA)
where:
Base-Base interactions energy: -152.801
where: short stacking energy: -80.749
Base-Backbone interact. energy: 0.175
local terms energy: -88.739041
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -18.409
flat angles C4'-P-C4' energy: -20.647
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: -24.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -228.404717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.404717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.404717 (E_RNA)
where:
Base-Base interactions energy: -151.060
where: short stacking energy: -67.135
Base-Backbone interact. energy: -0.643
local terms energy: -76.701104
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -12.301
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: 7, replica: 9
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -223.918794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.918794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.918794 (E_RNA)
where:
Base-Base interactions energy: -156.815
where: short stacking energy: -63.946
Base-Backbone interact. energy: 1.894
local terms energy: -68.998081
where:
bonds (distance) C4'-P energy: -7.283
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -12.726
tors. eta vs tors. theta energy: -16.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -99.005038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.005038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.005038 (E_RNA)
where:
Base-Base interactions energy: -39.878
where: short stacking energy: -30.462
Base-Backbone interact. energy: 0.121
local terms energy: -59.248949
where:
bonds (distance) C4'-P energy: -16.604
bonds (distance) P-C4' energy: -19.085
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -7.835
tors. eta vs tors. theta energy: -1.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -89.655872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.655872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.655872 (E_RNA)
where:
Base-Base interactions energy: -41.397
where: short stacking energy: -41.397
Base-Backbone interact. energy: 0.564
local terms energy: -48.822894
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -12.555
flat angles C4'-P-C4' energy: -13.689
flat angles P-C4'-P energy: -5.562
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: 10, replica: 7
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -79.136630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.136630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.136630 (E_RNA)
where:
Base-Base interactions energy: -24.377
where: short stacking energy: -20.648
Base-Backbone interact. energy: -0.128
local terms energy: -54.631715
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -1.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -263.401008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.401008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.401008 (E_RNA)
where:
Base-Base interactions energy: -173.140
where: short stacking energy: -83.870
Base-Backbone interact. energy: -0.044
local terms energy: -90.217207
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -19.865
flat angles P-C4'-P energy: -11.176
tors. eta vs tors. theta energy: -26.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -255.655644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.655644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.655644 (E_RNA)
where:
Base-Base interactions energy: -176.889
where: short stacking energy: -78.880
Base-Backbone interact. energy: -0.028
local terms energy: -78.738804
where:
bonds (distance) C4'-P energy: -10.043
bonds (distance) P-C4' energy: -13.975
flat angles C4'-P-C4' energy: -19.463
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -25.514
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: 10
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -248.316158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.316158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.316158 (E_RNA)
where:
Base-Base interactions energy: -161.765
where: short stacking energy: -75.577
Base-Backbone interact. energy: -0.114
local terms energy: -86.437288
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -16.732
flat angles C4'-P-C4' energy: -18.661
flat angles P-C4'-P energy: -15.063
tors. eta vs tors. theta energy: -20.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -248.769228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.769228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.769228 (E_RNA)
where:
Base-Base interactions energy: -166.556
where: short stacking energy: -74.133
Base-Backbone interact. energy: -0.008
local terms energy: -82.205518
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -17.512
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: -22.808
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: 2
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -226.111955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.111955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.111955 (E_RNA)
where:
Base-Base interactions energy: -146.424
where: short stacking energy: -54.651
Base-Backbone interact. energy: -0.025
local terms energy: -79.662950
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -12.041
tors. eta vs tors. theta energy: -19.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -207.046718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.046718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.046718 (E_RNA)
where:
Base-Base interactions energy: -132.918
where: short stacking energy: -66.707
Base-Backbone interact. energy: -0.137
local terms energy: -73.991935
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -11.869
flat angles C4'-P-C4' energy: -13.691
flat angles P-C4'-P energy: -13.229
tors. eta vs tors. theta energy: -17.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -203.610322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.610322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.610322 (E_RNA)
where:
Base-Base interactions energy: -142.285
where: short stacking energy: -65.841
Base-Backbone interact. energy: 0.822
local terms energy: -62.147645
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -3.672
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -16.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -97.734441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.734441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.734441 (E_RNA)
where:
Base-Base interactions energy: -30.828
where: short stacking energy: -29.816
Base-Backbone interact. energy: -0.399
local terms energy: -66.507473
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -17.266
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -8.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -93.759943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.759943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.759943 (E_RNA)
where:
Base-Base interactions energy: -36.853
where: short stacking energy: -36.193
Base-Backbone interact. energy: -0.276
local terms energy: -56.630695
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -8.231
tors. eta vs tors. theta energy: -6.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -86.042725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.042725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.042725 (E_RNA)
where:
Base-Base interactions energy: -35.545
where: short stacking energy: -18.421
Base-Backbone interact. energy: -0.391
local terms energy: -50.106824
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -12.010
flat angles P-C4'-P energy: -6.682
tors. eta vs tors. theta energy: -0.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -263.561273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.561273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.561273 (E_RNA)
where:
Base-Base interactions energy: -170.855
where: short stacking energy: -81.117
Base-Backbone interact. energy: -0.048
local terms energy: -92.658661
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -18.639
flat angles C4'-P-C4' energy: -17.780
flat angles P-C4'-P energy: -14.309
tors. eta vs tors. theta energy: -27.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -255.115143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.115143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.115143 (E_RNA)
where:
Base-Base interactions energy: -164.964
where: short stacking energy: -71.796
Base-Backbone interact. energy: -0.502
local terms energy: -89.649219
where:
bonds (distance) C4'-P energy: -14.926
bonds (distance) P-C4' energy: -18.819
flat angles C4'-P-C4' energy: -19.474
flat angles P-C4'-P energy: -13.084
tors. eta vs tors. theta energy: -23.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -254.185653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.185653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.185653 (E_RNA)
where:
Base-Base interactions energy: -164.671
where: short stacking energy: -81.877
Base-Backbone interact. energy: -0.323
local terms energy: -89.191950
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -18.085
flat angles P-C4'-P energy: -15.714
tors. eta vs tors. theta energy: -25.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -234.939030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.939030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.939030 (E_RNA)
where:
Base-Base interactions energy: -155.555
where: short stacking energy: -74.790
Base-Backbone interact. energy: -0.218
local terms energy: -79.165573
where:
bonds (distance) C4'-P energy: -11.329
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -18.653
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -23.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -238.556997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.556997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.556997 (E_RNA)
where:
Base-Base interactions energy: -161.081
where: short stacking energy: -73.462
Base-Backbone interact. energy: -0.006
local terms energy: -77.470205
where:
bonds (distance) C4'-P energy: -15.379
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -12.747
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -23.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -215.097900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.097900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.097900 (E_RNA)
where:
Base-Base interactions energy: -140.741
where: short stacking energy: -57.150
Base-Backbone interact. energy: -0.287
local terms energy: -74.070613
where:
bonds (distance) C4'-P energy: -11.196
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -14.642
tors. eta vs tors. theta energy: -16.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -217.856329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.856329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.856329 (E_RNA)
where:
Base-Base interactions energy: -145.986
where: short stacking energy: -73.677
Base-Backbone interact. energy: -0.172
local terms energy: -71.698133
where:
bonds (distance) C4'-P energy: -10.117
bonds (distance) P-C4' energy: -10.794
flat angles C4'-P-C4' energy: -18.207
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -20.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -90.165208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.165208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.165208 (E_RNA)
where:
Base-Base interactions energy: -36.622
where: short stacking energy: -34.881
Base-Backbone interact. energy: 0.021
local terms energy: -53.564276
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -12.821
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -4.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -93.337246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.337246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.337246 (E_RNA)
where:
Base-Base interactions energy: -32.514
where: short stacking energy: -22.098
Base-Backbone interact. energy: -0.986
local terms energy: -59.836981
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -19.957
flat angles C4'-P-C4' energy: -7.206
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -7.265
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: 10, replica: 3
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -88.636282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.636282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.636282 (E_RNA)
where:
Base-Base interactions energy: -43.769
where: short stacking energy: -33.791
Base-Backbone interact. energy: -0.240
local terms energy: -44.627271
where:
bonds (distance) C4'-P energy: -14.294
bonds (distance) P-C4' energy: -9.973
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -6.766
tors. eta vs tors. theta energy: 0.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -263.767907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.767907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.767907 (E_RNA)
where:
Base-Base interactions energy: -177.145
where: short stacking energy: -79.326
Base-Backbone interact. energy: -0.010
local terms energy: -86.613034
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -23.969
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: 4
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -256.751771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.751771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.751771 (E_RNA)
where:
Base-Base interactions energy: -169.129
where: short stacking energy: -80.564
Base-Backbone interact. energy: -0.004
local terms energy: -87.619005
where:
bonds (distance) C4'-P energy: -17.762
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -19.815
flat angles P-C4'-P energy: -11.903
tors. eta vs tors. theta energy: -25.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -245.915919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.915919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.915919 (E_RNA)
where:
Base-Base interactions energy: -167.714
where: short stacking energy: -77.064
Base-Backbone interact. energy: -0.005
local terms energy: -78.196766
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -10.245
flat angles C4'-P-C4' energy: -17.771
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -21.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -246.643529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.643529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.643529 (E_RNA)
where:
Base-Base interactions energy: -166.810
where: short stacking energy: -81.790
Base-Backbone interact. energy: -0.011
local terms energy: -79.822923
where:
bonds (distance) C4'-P energy: -10.608
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -16.727
flat angles P-C4'-P energy: -12.440
tors. eta vs tors. theta energy: -24.138
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: 9
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -212.773983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.773983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.773983 (E_RNA)
where:
Base-Base interactions energy: -131.309
where: short stacking energy: -63.852
Base-Backbone interact. energy: -0.118
local terms energy: -81.347217
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -19.926
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -14.070
tors. eta vs tors. theta energy: -15.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -233.605722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.605722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.605722 (E_RNA)
where:
Base-Base interactions energy: -154.758
where: short stacking energy: -70.543
Base-Backbone interact. energy: -0.759
local terms energy: -78.088213
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -15.465
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -22.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -213.791140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.791140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.791140 (E_RNA)
where:
Base-Base interactions energy: -136.965
where: short stacking energy: -61.629
Base-Backbone interact. energy: -0.294
local terms energy: -76.531998
where:
bonds (distance) C4'-P energy: -17.563
bonds (distance) P-C4' energy: -16.331
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -12.374
tors. eta vs tors. theta energy: -15.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -98.562586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.562586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.562586 (E_RNA)
where:
Base-Base interactions energy: -40.438
where: short stacking energy: -40.426
Base-Backbone interact. energy: -0.038
local terms energy: -58.085789
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -4.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -84.728426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.728426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.728426 (E_RNA)
where:
Base-Base interactions energy: -27.162
where: short stacking energy: -26.864
Base-Backbone interact. energy: 1.336
local terms energy: -58.902878
where:
bonds (distance) C4'-P energy: -17.594
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: 1.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -84.380624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.380624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.380624 (E_RNA)
where:
Base-Base interactions energy: -27.198
where: short stacking energy: -27.198
Base-Backbone interact. energy: -0.273
local terms energy: -56.909532
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -10.963
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -6.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -255.773371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.773371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.773371 (E_RNA)
where:
Base-Base interactions energy: -170.813
where: short stacking energy: -76.725
Base-Backbone interact. energy: -0.539
local terms energy: -84.420929
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -18.555
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: -24.754
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: 397
Temperature: 0.950000
Total energy: -250.977830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.977830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.977830 (E_RNA)
where:
Base-Base interactions energy: -156.916
where: short stacking energy: -80.920
Base-Backbone interact. energy: 0.010
local terms energy: -94.072423
where:
bonds (distance) C4'-P energy: -16.756
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -20.629
flat angles P-C4'-P energy: -13.931
tors. eta vs tors. theta energy: -25.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -253.575914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.575914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.575914 (E_RNA)
where:
Base-Base interactions energy: -170.747
where: short stacking energy: -81.427
Base-Backbone interact. energy: -0.012
local terms energy: -82.816960
where:
bonds (distance) C4'-P energy: -16.848
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -17.758
flat angles P-C4'-P energy: -8.094
tors. eta vs tors. theta energy: -24.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -256.212793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.212793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.212793 (E_RNA)
where:
Base-Base interactions energy: -171.502
where: short stacking energy: -74.776
Base-Backbone interact. energy: -0.033
local terms energy: -84.676881
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -17.194
flat angles C4'-P-C4' energy: -17.474
flat angles P-C4'-P energy: -11.982
tors. eta vs tors. theta energy: -23.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -211.498997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.498997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.498997 (E_RNA)
where:
Base-Base interactions energy: -131.286
where: short stacking energy: -60.153
Base-Backbone interact. energy: -0.464
local terms energy: -79.748793
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -18.505
flat angles C4'-P-C4' energy: -18.379
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -17.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -219.594869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.594869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.594869 (E_RNA)
where:
Base-Base interactions energy: -140.613
where: short stacking energy: -63.689
Base-Backbone interact. energy: -0.105
local terms energy: -78.877373
where:
bonds (distance) C4'-P energy: -15.103
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -13.417
tors. eta vs tors. theta energy: -23.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -222.567561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.567561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.567561 (E_RNA)
where:
Base-Base interactions energy: -144.335
where: short stacking energy: -61.706
Base-Backbone interact. energy: -0.119
local terms energy: -78.113526
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -11.878
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -14.362
tors. eta vs tors. theta energy: -20.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -88.040392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.040392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.040392 (E_RNA)
where:
Base-Base interactions energy: -36.470
where: short stacking energy: -29.939
Base-Backbone interact. energy: -0.218
local terms energy: -51.352117
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -9.445
flat angles P-C4'-P energy: -8.489
tors. eta vs tors. theta energy: -2.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -89.011182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.011182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.011182 (E_RNA)
where:
Base-Base interactions energy: -33.738
where: short stacking energy: -33.948
Base-Backbone interact. energy: -0.039
local terms energy: -55.233725
where:
bonds (distance) C4'-P energy: -17.348
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -3.025
tors. eta vs tors. theta energy: -5.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -79.714087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.714087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.714087 (E_RNA)
where:
Base-Base interactions energy: -22.817
where: short stacking energy: -22.761
Base-Backbone interact. energy: 0.223
local terms energy: -57.120016
where:
bonds (distance) C4'-P energy: -18.737
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -5.740
flat angles P-C4'-P energy: -12.742
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: 1, replica: 2
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -256.858178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.858178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.858178 (E_RNA)
where:
Base-Base interactions energy: -173.612
where: short stacking energy: -77.897
Base-Backbone interact. energy: -0.124
local terms energy: -83.121867
where:
bonds (distance) C4'-P energy: -16.045
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -13.325
tors. eta vs tors. theta energy: -23.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -259.708084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.708084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.708084 (E_RNA)
where:
Base-Base interactions energy: -165.400
where: short stacking energy: -84.355
Base-Backbone interact. energy: 0.417
local terms energy: -94.725123
where:
bonds (distance) C4'-P energy: -19.912
bonds (distance) P-C4' energy: -17.902
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -27.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -259.165446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.165446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.165446 (E_RNA)
where:
Base-Base interactions energy: -167.647
where: short stacking energy: -78.877
Base-Backbone interact. energy: -0.012
local terms energy: -91.506187
where:
bonds (distance) C4'-P energy: -17.613
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -17.400
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -27.030
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: 10
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -260.783852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.783852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.783852 (E_RNA)
where:
Base-Base interactions energy: -176.774
where: short stacking energy: -81.144
Base-Backbone interact. energy: -0.039
local terms energy: -83.970814
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -19.381
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -25.908
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: 1
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -217.252232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.252232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.252232 (E_RNA)
where:
Base-Base interactions energy: -134.920
where: short stacking energy: -63.556
Base-Backbone interact. energy: -0.005
local terms energy: -82.327399
where:
bonds (distance) C4'-P energy: -17.614
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -19.214
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -16.392
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: 6, replica: 9
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -219.703829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.703829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.703829 (E_RNA)
where:
Base-Base interactions energy: -142.340
where: short stacking energy: -63.495
Base-Backbone interact. energy: -0.014
local terms energy: -77.350550
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -16.126
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -13.790
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: 7, replica: 6
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -223.574272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.574272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.574272 (E_RNA)
where:
Base-Base interactions energy: -145.401
where: short stacking energy: -68.243
Base-Backbone interact. energy: -0.396
local terms energy: -77.777003
where:
bonds (distance) C4'-P energy: -9.868
bonds (distance) P-C4' energy: -16.905
flat angles C4'-P-C4' energy: -18.823
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -22.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -112.767748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.767748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.767748 (E_RNA)
where:
Base-Base interactions energy: -48.611
where: short stacking energy: -32.027
Base-Backbone interact. energy: 0.027
local terms energy: -64.183516
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -19.162
flat angles P-C4'-P energy: -6.991
tors. eta vs tors. theta energy: -5.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -89.874795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.874795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.874795 (E_RNA)
where:
Base-Base interactions energy: -31.250
where: short stacking energy: -27.331
Base-Backbone interact. energy: -0.185
local terms energy: -58.439989
where:
bonds (distance) C4'-P energy: -16.848
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -11.413
flat angles P-C4'-P energy: -13.098
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: 8
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -84.591305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.591305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.591305 (E_RNA)
where:
Base-Base interactions energy: -34.894
where: short stacking energy: -34.894
Base-Backbone interact. energy: -0.078
local terms energy: -49.619978
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -9.117
flat angles C4'-P-C4' energy: -11.309
flat angles P-C4'-P energy: -5.877
tors. eta vs tors. theta energy: -7.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -265.748373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.748373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.748373 (E_RNA)
where:
Base-Base interactions energy: -177.400
where: short stacking energy: -78.668
Base-Backbone interact. energy: -0.023
local terms energy: -88.325499
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -26.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -239.576259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.576259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.576259 (E_RNA)
where:
Base-Base interactions energy: -154.172
where: short stacking energy: -69.737
Base-Backbone interact. energy: -0.469
local terms energy: -84.935260
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -18.409
flat angles C4'-P-C4' energy: -18.888
flat angles P-C4'-P energy: -11.889
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: 3, replica: 5
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -245.982596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.982596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.982596 (E_RNA)
where:
Base-Base interactions energy: -164.814
where: short stacking energy: -74.119
Base-Backbone interact. energy: -0.141
local terms energy: -81.026795
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -14.845
flat angles C4'-P-C4' energy: -17.943
flat angles P-C4'-P energy: -11.470
tors. eta vs tors. theta energy: -23.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -251.547294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.547294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.547294 (E_RNA)
where:
Base-Base interactions energy: -170.395
where: short stacking energy: -82.681
Base-Backbone interact. energy: -0.087
local terms energy: -81.066175
where:
bonds (distance) C4'-P energy: -10.068
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -17.758
flat angles P-C4'-P energy: -13.031
tors. eta vs tors. theta energy: -26.349
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: 1
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -226.626829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.626829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.626829 (E_RNA)
where:
Base-Base interactions energy: -146.911
where: short stacking energy: -63.803
Base-Backbone interact. energy: 0.674
local terms energy: -80.390289
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -17.384
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: -22.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -212.419190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.419190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.419190 (E_RNA)
where:
Base-Base interactions energy: -135.797
where: short stacking energy: -55.863
Base-Backbone interact. energy: 0.315
local terms energy: -76.937221
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -18.576
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -19.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -224.067518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.067518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.067518 (E_RNA)
where:
Base-Base interactions energy: -145.848
where: short stacking energy: -65.824
Base-Backbone interact. energy: -0.086
local terms energy: -78.133160
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -19.158
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -13.521
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: 8, replica: 7
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -96.929316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.929316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.929316 (E_RNA)
where:
Base-Base interactions energy: -34.905
where: short stacking energy: -30.156
Base-Backbone interact. energy: 1.904
local terms energy: -63.928654
where:
bonds (distance) C4'-P energy: -15.959
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: -5.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -89.370446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.370446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.370446 (E_RNA)
where:
Base-Base interactions energy: -34.643
where: short stacking energy: -23.349
Base-Backbone interact. energy: -0.045
local terms energy: -54.682303
where:
bonds (distance) C4'-P energy: -15.649
bonds (distance) P-C4' energy: -18.952
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -5.238
tors. eta vs tors. theta energy: 0.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -75.251988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.251988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.251988 (E_RNA)
where:
Base-Base interactions energy: -41.095
where: short stacking energy: -20.821
Base-Backbone interact. energy: 0.539
local terms energy: -34.696023
where:
bonds (distance) C4'-P energy: -5.274
bonds (distance) P-C4' energy: -9.828
flat angles C4'-P-C4' energy: -14.091
flat angles P-C4'-P energy: -3.252
tors. eta vs tors. theta energy: -2.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -253.914336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.914336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.914336 (E_RNA)
where:
Base-Base interactions energy: -170.185
where: short stacking energy: -80.410
Base-Backbone interact. energy: -0.240
local terms energy: -83.489881
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -17.349
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -24.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -257.575242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.575242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.575242 (E_RNA)
where:
Base-Base interactions energy: -167.115
where: short stacking energy: -80.993
Base-Backbone interact. energy: -0.039
local terms energy: -90.421644
where:
bonds (distance) C4'-P energy: -19.335
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -27.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -259.360604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.360604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.360604 (E_RNA)
where:
Base-Base interactions energy: -170.171
where: short stacking energy: -77.847
Base-Backbone interact. energy: -0.050
local terms energy: -89.138965
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: -13.452
tors. eta vs tors. theta energy: -27.277
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: 400
Temperature: 1.050000
Total energy: -262.899841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.899841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.899841 (E_RNA)
where:
Base-Base interactions energy: -169.385
where: short stacking energy: -81.176
Base-Backbone interact. energy: -0.097
local terms energy: -93.417587
where:
bonds (distance) C4'-P energy: -19.236
bonds (distance) P-C4' energy: -16.088
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -15.044
tors. eta vs tors. theta energy: -25.903
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: 6
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -220.886838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.886838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.886838 (E_RNA)
where:
Base-Base interactions energy: -146.159
where: short stacking energy: -64.594
Base-Backbone interact. energy: -0.292
local terms energy: -74.435956
where:
bonds (distance) C4'-P energy: -10.555
bonds (distance) P-C4' energy: -19.478
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -17.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -218.355578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.355578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.355578 (E_RNA)
where:
Base-Base interactions energy: -141.244
where: short stacking energy: -68.818
Base-Backbone interact. energy: -0.071
local terms energy: -77.040375
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -14.584
flat angles C4'-P-C4' energy: -11.284
flat angles P-C4'-P energy: -15.404
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: 7, replica: 9
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -210.578600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.578600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.578600 (E_RNA)
where:
Base-Base interactions energy: -135.863
where: short stacking energy: -67.978
Base-Backbone interact. energy: -0.375
local terms energy: -74.340909
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -17.115
flat angles P-C4'-P energy: -11.006
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: 8, replica: 7
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -100.444035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.444035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.444035 (E_RNA)
where:
Base-Base interactions energy: -34.041
where: short stacking energy: -34.041
Base-Backbone interact. energy: -0.551
local terms energy: -65.852054
where:
bonds (distance) C4'-P energy: -18.985
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -7.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -86.383801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.383801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.383801 (E_RNA)
where:
Base-Base interactions energy: -27.582
where: short stacking energy: -27.582
Base-Backbone interact. energy: -0.159
local terms energy: -58.643176
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -10.047
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: 3
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -95.131742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.131742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.131742 (E_RNA)
where:
Base-Base interactions energy: -34.741
where: short stacking energy: -31.506
Base-Backbone interact. energy: -0.047
local terms energy: -60.344047
where:
bonds (distance) C4'-P energy: -17.920
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -0.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -271.817468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.817468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.817468 (E_RNA)
where:
Base-Base interactions energy: -185.888
where: short stacking energy: -84.110
Base-Backbone interact. energy: -0.283
local terms energy: -85.646221
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -19.170
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -25.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -250.434266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.434266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.434266 (E_RNA)
where:
Base-Base interactions energy: -156.242
where: short stacking energy: -78.975
Base-Backbone interact. energy: -0.074
local terms energy: -94.117857
where:
bonds (distance) C4'-P energy: -18.206
bonds (distance) P-C4' energy: -21.067
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -15.896
tors. eta vs tors. theta energy: -23.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -251.121868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.121868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.121868 (E_RNA)
where:
Base-Base interactions energy: -162.379
where: short stacking energy: -81.260
Base-Backbone interact. energy: -0.054
local terms energy: -88.688311
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -17.085
flat angles P-C4'-P energy: -14.845
tors. eta vs tors. theta energy: -21.213
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: 6
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -241.098913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.098913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.098913 (E_RNA)
where:
Base-Base interactions energy: -159.063
where: short stacking energy: -74.169
Base-Backbone interact. energy: -0.039
local terms energy: -81.997531
where:
bonds (distance) C4'-P energy: -10.915
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -17.798
flat angles P-C4'-P energy: -12.989
tors. eta vs tors. theta energy: -23.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -243.031936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.031936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.031936 (E_RNA)
where:
Base-Base interactions energy: -156.946
where: short stacking energy: -74.116
Base-Backbone interact. energy: -0.111
local terms energy: -85.974947
where:
bonds (distance) C4'-P energy: -15.687
bonds (distance) P-C4' energy: -16.284
flat angles C4'-P-C4' energy: -17.535
flat angles P-C4'-P energy: -13.542
tors. eta vs tors. theta energy: -22.927
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: 9
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -216.497671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.497671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.497671 (E_RNA)
where:
Base-Base interactions energy: -141.008
where: short stacking energy: -68.882
Base-Backbone interact. energy: -0.011
local terms energy: -75.478910
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -9.697
flat angles C4'-P-C4' energy: -19.254
flat angles P-C4'-P energy: -13.193
tors. eta vs tors. theta energy: -19.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -231.801289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.801289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.801289 (E_RNA)
where:
Base-Base interactions energy: -165.770
where: short stacking energy: -80.702
Base-Backbone interact. energy: -0.013
local terms energy: -66.018595
where:
bonds (distance) C4'-P energy: -10.875
bonds (distance) P-C4' energy: -6.135
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: -24.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -90.581735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.581735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.581735 (E_RNA)
where:
Base-Base interactions energy: -33.756
where: short stacking energy: -33.756
Base-Backbone interact. energy: -0.204
local terms energy: -56.621791
where:
bonds (distance) C4'-P energy: -14.046
bonds (distance) P-C4' energy: -17.818
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -4.729
tors. eta vs tors. theta energy: -5.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -86.402025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.402025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.402025 (E_RNA)
where:
Base-Base interactions energy: -28.375
where: short stacking energy: -28.260
Base-Backbone interact. energy: -0.187
local terms energy: -57.839696
where:
bonds (distance) C4'-P energy: -17.672
bonds (distance) P-C4' energy: -17.661
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -6.721
tors. eta vs tors. theta energy: -1.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -78.859743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.859743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.859743 (E_RNA)
where:
Base-Base interactions energy: -37.178
where: short stacking energy: -15.846
Base-Backbone interact. energy: -0.245
local terms energy: -41.436951
where:
bonds (distance) C4'-P energy: -17.191
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -12.785
flat angles P-C4'-P energy: 1.761
tors. eta vs tors. theta energy: 0.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -261.038436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.038436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.038436 (E_RNA)
where:
Base-Base interactions energy: -174.436
where: short stacking energy: -83.435
Base-Backbone interact. energy: -0.615
local terms energy: -85.988032
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -17.881
flat angles P-C4'-P energy: -11.256
tors. eta vs tors. theta energy: -26.740
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: 402
Temperature: 0.950000
Total energy: -257.029962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.029962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.029962 (E_RNA)
where:
Base-Base interactions energy: -170.071
where: short stacking energy: -75.357
Base-Backbone interact. energy: -0.018
local terms energy: -86.941396
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -25.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -254.935237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.935237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.935237 (E_RNA)
where:
Base-Base interactions energy: -165.700
where: short stacking energy: -78.555
Base-Backbone interact. energy: -0.015
local terms energy: -89.220160
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -20.137
flat angles P-C4'-P energy: -13.626
tors. eta vs tors. theta energy: -24.745
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: 5
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -238.648090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.648090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.648090 (E_RNA)
where:
Base-Base interactions energy: -159.101
where: short stacking energy: -75.441
Base-Backbone interact. energy: -0.082
local terms energy: -79.464476
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -15.468
flat angles C4'-P-C4' energy: -17.133
flat angles P-C4'-P energy: -6.694
tors. eta vs tors. theta energy: -24.302
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: 5, replica: 9
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -234.810627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.810627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.810627 (E_RNA)
where:
Base-Base interactions energy: -155.667
where: short stacking energy: -72.098
Base-Backbone interact. energy: -0.052
local terms energy: -79.091947
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -7.905
tors. eta vs tors. theta energy: -22.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -235.562140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.562140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.562140 (E_RNA)
where:
Base-Base interactions energy: -159.233
where: short stacking energy: -70.533
Base-Backbone interact. energy: -0.434
local terms energy: -75.895623
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -14.147
flat angles C4'-P-C4' energy: -16.122
flat angles P-C4'-P energy: -6.278
tors. eta vs tors. theta energy: -22.277
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: 402
Temperature: 1.200000
Total energy: -216.997285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.997285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.997285 (E_RNA)
where:
Base-Base interactions energy: -143.076
where: short stacking energy: -69.383
Base-Backbone interact. energy: -0.859
local terms energy: -73.062587
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -11.813
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -21.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -95.919772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.919772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.919772 (E_RNA)
where:
Base-Base interactions energy: -46.344
where: short stacking energy: -33.625
Base-Backbone interact. energy: -0.390
local terms energy: -49.186099
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -2.824
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: 9, replica: 3
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -84.551315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.551315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.551315 (E_RNA)
where:
Base-Base interactions energy: -30.289
where: short stacking energy: -30.176
Base-Backbone interact. energy: -1.069
local terms energy: -53.192668
where:
bonds (distance) C4'-P energy: -15.180
bonds (distance) P-C4' energy: -12.518
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -2.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -82.873994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.873994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.873994 (E_RNA)
where:
Base-Base interactions energy: -32.743
where: short stacking energy: -28.657
Base-Backbone interact. energy: -0.172
local terms energy: -49.958862
where:
bonds (distance) C4'-P energy: -8.518
bonds (distance) P-C4' energy: -13.208
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -7.009
tors. eta vs tors. theta energy: -5.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -255.891364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.891364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.891364 (E_RNA)
where:
Base-Base interactions energy: -163.165
where: short stacking energy: -79.578
Base-Backbone interact. energy: -0.083
local terms energy: -92.643229
where:
bonds (distance) C4'-P energy: -17.403
bonds (distance) P-C4' energy: -18.930
flat angles C4'-P-C4' energy: -18.439
flat angles P-C4'-P energy: -14.130
tors. eta vs tors. theta energy: -23.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -259.504536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.504536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.504536 (E_RNA)
where:
Base-Base interactions energy: -169.506
where: short stacking energy: -82.247
Base-Backbone interact. energy: -0.002
local terms energy: -89.996872
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -17.805
flat angles C4'-P-C4' energy: -18.449
flat angles P-C4'-P energy: -12.193
tors. eta vs tors. theta energy: -26.238
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: 6
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -249.617712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.617712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.617712 (E_RNA)
where:
Base-Base interactions energy: -165.330
where: short stacking energy: -81.042
Base-Backbone interact. energy: -0.261
local terms energy: -84.026177
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -18.987
flat angles P-C4'-P energy: -11.607
tors. eta vs tors. theta energy: -23.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -249.044746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.044746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.044746 (E_RNA)
where:
Base-Base interactions energy: -164.829
where: short stacking energy: -70.535
Base-Backbone interact. energy: -0.011
local terms energy: -84.203816
where:
bonds (distance) C4'-P energy: -17.690
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -22.068
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: 5
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -229.002128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.002128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.002128 (E_RNA)
where:
Base-Base interactions energy: -149.312
where: short stacking energy: -64.382
Base-Backbone interact. energy: -0.203
local terms energy: -79.487560
where:
bonds (distance) C4'-P energy: -16.689
bonds (distance) P-C4' energy: -16.080
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -18.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -226.339324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.339324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.339324 (E_RNA)
where:
Base-Base interactions energy: -150.465
where: short stacking energy: -73.078
Base-Backbone interact. energy: -0.196
local terms energy: -75.677930
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -14.968
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -14.448
tors. eta vs tors. theta energy: -20.203
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: 10
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -214.364108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.364108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.364108 (E_RNA)
where:
Base-Base interactions energy: -144.986
where: short stacking energy: -63.949
Base-Backbone interact. energy: -0.245
local terms energy: -69.133106
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -12.699
flat angles C4'-P-C4' energy: -18.838
flat angles P-C4'-P energy: -4.896
tors. eta vs tors. theta energy: -15.790
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: 3
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -87.400093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.400093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.400093 (E_RNA)
where:
Base-Base interactions energy: -24.873
where: short stacking energy: -16.935
Base-Backbone interact. energy: -0.595
local terms energy: -61.931922
where:
bonds (distance) C4'-P energy: -20.453
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -13.205
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -1.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -90.643460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.643460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.643460 (E_RNA)
where:
Base-Base interactions energy: -39.232
where: short stacking energy: -26.633
Base-Backbone interact. energy: -0.171
local terms energy: -51.241163
where:
bonds (distance) C4'-P energy: -12.477
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -11.394
flat angles P-C4'-P energy: -13.442
tors. eta vs tors. theta energy: 1.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -83.581207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.581207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.581207 (E_RNA)
where:
Base-Base interactions energy: -31.622
where: short stacking energy: -31.622
Base-Backbone interact. energy: -0.085
local terms energy: -51.874855
where:
bonds (distance) C4'-P energy: -10.813
bonds (distance) P-C4' energy: -16.639
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -9.011
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: 1, replica: 2
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -261.055116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.055116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.055116 (E_RNA)
where:
Base-Base interactions energy: -172.029
where: short stacking energy: -84.961
Base-Backbone interact. energy: -0.089
local terms energy: -88.937129
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -17.937
flat angles C4'-P-C4' energy: -17.530
flat angles P-C4'-P energy: -12.636
tors. eta vs tors. theta energy: -25.498
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: 4
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -252.331886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.331886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.331886 (E_RNA)
where:
Base-Base interactions energy: -166.200
where: short stacking energy: -74.018
Base-Backbone interact. energy: -0.109
local terms energy: -86.023016
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -17.110
flat angles C4'-P-C4' energy: -17.020
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -24.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -254.218674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.218674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.218674 (E_RNA)
where:
Base-Base interactions energy: -162.161
where: short stacking energy: -76.048
Base-Backbone interact. energy: -0.043
local terms energy: -92.015243
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -16.338
flat angles C4'-P-C4' energy: -17.898
flat angles P-C4'-P energy: -14.597
tors. eta vs tors. theta energy: -27.812
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: 404
Temperature: 1.050000
Total energy: -243.996798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.996798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.996798 (E_RNA)
where:
Base-Base interactions energy: -157.558
where: short stacking energy: -78.843
Base-Backbone interact. energy: 0.989
local terms energy: -87.428077
where:
bonds (distance) C4'-P energy: -16.053
bonds (distance) P-C4' energy: -18.138
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -25.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -228.053505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.053505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.053505 (E_RNA)
where:
Base-Base interactions energy: -145.787
where: short stacking energy: -68.511
Base-Backbone interact. energy: -0.047
local terms energy: -82.219730
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -18.403
flat angles C4'-P-C4' energy: -18.593
flat angles P-C4'-P energy: -14.086
tors. eta vs tors. theta energy: -17.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -232.648272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.648272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.648272 (E_RNA)
where:
Base-Base interactions energy: -159.493
where: short stacking energy: -68.250
Base-Backbone interact. energy: -0.224
local terms energy: -72.930957
where:
bonds (distance) C4'-P energy: -12.788
bonds (distance) P-C4' energy: -14.260
flat angles C4'-P-C4' energy: -17.721
flat angles P-C4'-P energy: -11.240
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: 7, replica: 10
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -217.317065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.317065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.317065 (E_RNA)
where:
Base-Base interactions energy: -146.674
where: short stacking energy: -58.174
Base-Backbone interact. energy: -0.534
local terms energy: -70.109653
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -18.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -98.753770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.753770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.753770 (E_RNA)
where:
Base-Base interactions energy: -46.731
where: short stacking energy: -33.997
Base-Backbone interact. energy: 0.432
local terms energy: -52.455106
where:
bonds (distance) C4'-P energy: -11.802
bonds (distance) P-C4' energy: -17.042
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -6.169
tors. eta vs tors. theta energy: -2.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -88.224022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.224022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.224022 (E_RNA)
where:
Base-Base interactions energy: -29.529
where: short stacking energy: -29.529
Base-Backbone interact. energy: -0.112
local terms energy: -58.582905
where:
bonds (distance) C4'-P energy: -9.264
bonds (distance) P-C4' energy: -16.187
flat angles C4'-P-C4' energy: -17.085
flat angles P-C4'-P energy: -10.886
tors. eta vs tors. theta energy: -5.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -85.400536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.400536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.400536 (E_RNA)
where:
Base-Base interactions energy: -35.025
where: short stacking energy: -32.107
Base-Backbone interact. energy: 0.751
local terms energy: -51.127129
where:
bonds (distance) C4'-P energy: -9.831
bonds (distance) P-C4' energy: -13.570
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -8.933
tors. eta vs tors. theta energy: -4.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -264.200115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.200115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.200115 (E_RNA)
where:
Base-Base interactions energy: -176.233
where: short stacking energy: -81.099
Base-Backbone interact. energy: -0.104
local terms energy: -87.863020
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -18.079
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: -27.327
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: 6
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -265.920875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.920875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.920875 (E_RNA)
where:
Base-Base interactions energy: -176.346
where: short stacking energy: -76.381
Base-Backbone interact. energy: -0.077
local terms energy: -89.497567
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -19.460
flat angles P-C4'-P energy: -13.102
tors. eta vs tors. theta energy: -25.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -249.954647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.954647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.954647 (E_RNA)
where:
Base-Base interactions energy: -165.842
where: short stacking energy: -82.023
Base-Backbone interact. energy: 1.983
local terms energy: -86.095844
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -19.221
flat angles P-C4'-P energy: -13.928
tors. eta vs tors. theta energy: -21.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -237.760255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.760255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.760255 (E_RNA)
where:
Base-Base interactions energy: -160.972
where: short stacking energy: -69.927
Base-Backbone interact. energy: -0.140
local terms energy: -76.648202
where:
bonds (distance) C4'-P energy: -16.258
bonds (distance) P-C4' energy: -9.238
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -13.384
tors. eta vs tors. theta energy: -23.215
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: 1
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -216.673782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.673782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.673782 (E_RNA)
where:
Base-Base interactions energy: -132.065
where: short stacking energy: -52.135
Base-Backbone interact. energy: -0.012
local terms energy: -84.597394
where:
bonds (distance) C4'-P energy: -18.314
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -19.027
flat angles P-C4'-P energy: -15.396
tors. eta vs tors. theta energy: -18.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -215.412546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.412546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.412546 (E_RNA)
where:
Base-Base interactions energy: -146.251
where: short stacking energy: -57.234
Base-Backbone interact. energy: 0.038
local terms energy: -69.198829
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -13.615
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -11.738
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: 405
Temperature: 1.200000
Total energy: -216.519507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.519507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.519507 (E_RNA)
where:
Base-Base interactions energy: -139.411
where: short stacking energy: -61.603
Base-Backbone interact. energy: -0.090
local terms energy: -77.018152
where:
bonds (distance) C4'-P energy: -16.602
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -21.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -102.557245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.557245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.557245 (E_RNA)
where:
Base-Base interactions energy: -42.198
where: short stacking energy: -31.388
Base-Backbone interact. energy: 0.301
local terms energy: -60.660378
where:
bonds (distance) C4'-P energy: -11.706
bonds (distance) P-C4' energy: -18.734
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -8.069
tors. eta vs tors. theta energy: -7.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -79.936852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.936852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.936852 (E_RNA)
where:
Base-Base interactions energy: -19.033
where: short stacking energy: -14.266
Base-Backbone interact. energy: -0.258
local terms energy: -60.645166
where:
bonds (distance) C4'-P energy: -16.779
bonds (distance) P-C4' energy: -15.555
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -1.216
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: 8
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -82.351721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.351721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.351721 (E_RNA)
where:
Base-Base interactions energy: -24.665
where: short stacking energy: -25.065
Base-Backbone interact. energy: 0.257
local terms energy: -57.943503
where:
bonds (distance) C4'-P energy: -17.142
bonds (distance) P-C4' energy: -18.611
flat angles C4'-P-C4' energy: -9.010
flat angles P-C4'-P energy: -12.864
tors. eta vs tors. theta energy: -0.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -264.487596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.487596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.487596 (E_RNA)
where:
Base-Base interactions energy: -179.150
where: short stacking energy: -80.318
Base-Backbone interact. energy: -0.008
local terms energy: -85.330083
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -14.178
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -13.800
tors. eta vs tors. theta energy: -25.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -264.587779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.587779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.587779 (E_RNA)
where:
Base-Base interactions energy: -171.084
where: short stacking energy: -83.140
Base-Backbone interact. energy: -0.065
local terms energy: -93.438429
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -19.564
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -25.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -244.590328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.590328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.590328 (E_RNA)
where:
Base-Base interactions energy: -157.728
where: short stacking energy: -81.086
Base-Backbone interact. energy: -0.054
local terms energy: -86.808374
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -19.607
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: -19.779
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: 4, replica: 4
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -245.494903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.494903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.494903 (E_RNA)
where:
Base-Base interactions energy: -161.276
where: short stacking energy: -78.703
Base-Backbone interact. energy: -0.004
local terms energy: -84.214623
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -17.648
flat angles C4'-P-C4' energy: -17.991
flat angles P-C4'-P energy: -15.315
tors. eta vs tors. theta energy: -21.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -217.073892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.073892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.073892 (E_RNA)
where:
Base-Base interactions energy: -141.407
where: short stacking energy: -74.976
Base-Backbone interact. energy: -0.096
local terms energy: -75.570541
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -17.386
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -19.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -223.557360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.557360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.557360 (E_RNA)
where:
Base-Base interactions energy: -144.171
where: short stacking energy: -61.006
Base-Backbone interact. energy: -0.145
local terms energy: -79.241464
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -17.855
flat angles C4'-P-C4' energy: -17.955
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -19.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -211.895572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.895572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.895572 (E_RNA)
where:
Base-Base interactions energy: -144.359
where: short stacking energy: -65.315
Base-Backbone interact. energy: -0.240
local terms energy: -67.296208
where:
bonds (distance) C4'-P energy: -16.724
bonds (distance) P-C4' energy: -11.264
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -5.570
tors. eta vs tors. theta energy: -18.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -89.610227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.610227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.610227 (E_RNA)
where:
Base-Base interactions energy: -24.804
where: short stacking energy: -21.178
Base-Backbone interact. energy: -0.587
local terms energy: -64.219553
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -14.190
tors. eta vs tors. theta energy: -2.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -89.324090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.324090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.324090 (E_RNA)
where:
Base-Base interactions energy: -28.910
where: short stacking energy: -28.910
Base-Backbone interact. energy: 0.340
local terms energy: -60.754295
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -20.408
flat angles C4'-P-C4' energy: -12.393
flat angles P-C4'-P energy: -7.100
tors. eta vs tors. theta energy: -5.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -102.719625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.719625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.719625 (E_RNA)
where:
Base-Base interactions energy: -40.937
where: short stacking energy: -40.524
Base-Backbone interact. energy: -0.865
local terms energy: -60.918253
where:
bonds (distance) C4'-P energy: -18.454
bonds (distance) P-C4' energy: -13.621
flat angles C4'-P-C4' energy: -12.853
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -6.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -252.448394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.448394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.448394 (E_RNA)
where:
Base-Base interactions energy: -165.337
where: short stacking energy: -75.853
Base-Backbone interact. energy: -0.107
local terms energy: -87.005223
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -19.042
flat angles C4'-P-C4' energy: -18.459
flat angles P-C4'-P energy: -13.487
tors. eta vs tors. theta energy: -22.204
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: 2
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -261.261459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.261459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.261459 (E_RNA)
where:
Base-Base interactions energy: -168.011
where: short stacking energy: -81.153
Base-Backbone interact. energy: -0.027
local terms energy: -93.223485
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -19.855
flat angles C4'-P-C4' energy: -18.676
flat angles P-C4'-P energy: -14.003
tors. eta vs tors. theta energy: -27.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -252.389323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.389323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.389323 (E_RNA)
where:
Base-Base interactions energy: -168.998
where: short stacking energy: -71.893
Base-Backbone interact. energy: 0.031
local terms energy: -83.422990
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -17.789
flat angles P-C4'-P energy: -9.854
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: 4, replica: 4
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -252.827402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.827402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.827402 (E_RNA)
where:
Base-Base interactions energy: -165.397
where: short stacking energy: -72.681
Base-Backbone interact. energy: -0.030
local terms energy: -87.400366
where:
bonds (distance) C4'-P energy: -17.791
bonds (distance) P-C4' energy: -16.056
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -14.194
tors. eta vs tors. theta energy: -23.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -205.701246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.701246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.701246 (E_RNA)
where:
Base-Base interactions energy: -132.456
where: short stacking energy: -62.998
Base-Backbone interact. energy: -1.054
local terms energy: -72.190709
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -11.938
flat angles C4'-P-C4' energy: -18.340
flat angles P-C4'-P energy: -13.597
tors. eta vs tors. theta energy: -14.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -205.583395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.583395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.583395 (E_RNA)
where:
Base-Base interactions energy: -136.514
where: short stacking energy: -56.629
Base-Backbone interact. energy: -0.065
local terms energy: -69.004479
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -15.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -226.036329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.036329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.036329 (E_RNA)
where:
Base-Base interactions energy: -153.663
where: short stacking energy: -66.263
Base-Backbone interact. energy: -0.350
local terms energy: -72.022991
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -12.293
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -21.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -88.055865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.055865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.055865 (E_RNA)
where:
Base-Base interactions energy: -31.647
where: short stacking energy: -18.063
Base-Backbone interact. energy: -0.193
local terms energy: -56.215813
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -19.516
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -3.437
tors. eta vs tors. theta energy: -1.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -103.926619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.926619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.926619 (E_RNA)
where:
Base-Base interactions energy: -45.051
where: short stacking energy: -30.616
Base-Backbone interact. energy: 1.359
local terms energy: -60.234810
where:
bonds (distance) C4'-P energy: -10.497
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -4.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -93.155329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.155329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.155329 (E_RNA)
where:
Base-Base interactions energy: -39.428
where: short stacking energy: -38.186
Base-Backbone interact. energy: -0.282
local terms energy: -53.445322
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -4.258
flat angles P-C4'-P energy: -12.022
tors. eta vs tors. theta energy: -8.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -262.635762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.635762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.635762 (E_RNA)
where:
Base-Base interactions energy: -170.644
where: short stacking energy: -75.347
Base-Backbone interact. energy: -0.083
local terms energy: -91.908841
where:
bonds (distance) C4'-P energy: -18.599
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -17.503
flat angles P-C4'-P energy: -14.927
tors. eta vs tors. theta energy: -24.223
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: 2
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -256.083809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.083809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.083809 (E_RNA)
where:
Base-Base interactions energy: -173.672
where: short stacking energy: -78.905
Base-Backbone interact. energy: -0.191
local terms energy: -82.220216
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -17.566
flat angles P-C4'-P energy: -14.422
tors. eta vs tors. theta energy: -20.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -252.333857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.333857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.333857 (E_RNA)
where:
Base-Base interactions energy: -164.880
where: short stacking energy: -75.036
Base-Backbone interact. energy: -0.088
local terms energy: -87.365738
where:
bonds (distance) C4'-P energy: -15.380
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -17.784
flat angles P-C4'-P energy: -13.350
tors. eta vs tors. theta energy: -26.077
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: 9
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -240.355241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.355241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.355241 (E_RNA)
where:
Base-Base interactions energy: -151.971
where: short stacking energy: -67.218
Base-Backbone interact. energy: -0.234
local terms energy: -88.150125
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -17.170
flat angles C4'-P-C4' energy: -17.887
flat angles P-C4'-P energy: -13.364
tors. eta vs tors. theta energy: -23.085
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: 5
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -212.042603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.042603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.042603 (E_RNA)
where:
Base-Base interactions energy: -134.700
where: short stacking energy: -58.614
Base-Backbone interact. energy: -0.098
local terms energy: -77.244545
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -14.506
tors. eta vs tors. theta energy: -17.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -196.645051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.645051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.645051 (E_RNA)
where:
Base-Base interactions energy: -133.099
where: short stacking energy: -60.882
Base-Backbone interact. energy: -0.262
local terms energy: -63.284275
where:
bonds (distance) C4'-P energy: -17.080
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -10.551
flat angles P-C4'-P energy: -7.295
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: 7, replica: 1
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -210.470254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.470254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.470254 (E_RNA)
where:
Base-Base interactions energy: -145.287
where: short stacking energy: -58.244
Base-Backbone interact. energy: 3.278
local terms energy: -68.461041
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -12.479
tors. eta vs tors. theta energy: -12.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -91.245264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.245264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.245264 (E_RNA)
where:
Base-Base interactions energy: -31.281
where: short stacking energy: -31.281
Base-Backbone interact. energy: 0.735
local terms energy: -60.699465
where:
bonds (distance) C4'-P energy: -17.949
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -9.812
tors. eta vs tors. theta energy: -3.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -94.867394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.867394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.867394 (E_RNA)
where:
Base-Base interactions energy: -37.057
where: short stacking energy: -15.580
Base-Backbone interact. energy: -0.133
local terms energy: -57.678022
where:
bonds (distance) C4'-P energy: -18.109
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -2.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -80.739258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.739258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.739258 (E_RNA)
where:
Base-Base interactions energy: -37.391
where: short stacking energy: -20.544
Base-Backbone interact. energy: 0.461
local terms energy: -43.809125
where:
bonds (distance) C4'-P energy: -10.720
bonds (distance) P-C4' energy: -11.513
flat angles C4'-P-C4' energy: -10.701
flat angles P-C4'-P energy: -8.187
tors. eta vs tors. theta energy: -2.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -264.436189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.436189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.436189 (E_RNA)
where:
Base-Base interactions energy: -169.520
where: short stacking energy: -79.644
Base-Backbone interact. energy: 0.050
local terms energy: -94.966068
where:
bonds (distance) C4'-P energy: -20.276
bonds (distance) P-C4' energy: -20.616
flat angles C4'-P-C4' energy: -18.453
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -23.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -256.230882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.230882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.230882 (E_RNA)
where:
Base-Base interactions energy: -164.700
where: short stacking energy: -82.536
Base-Backbone interact. energy: 2.142
local terms energy: -93.672591
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -17.336
flat angles C4'-P-C4' energy: -18.996
flat angles P-C4'-P energy: -17.648
tors. eta vs tors. theta energy: -24.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -251.481435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.481435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.481435 (E_RNA)
where:
Base-Base interactions energy: -165.748
where: short stacking energy: -77.709
Base-Backbone interact. energy: -0.085
local terms energy: -85.648447
where:
bonds (distance) C4'-P energy: -16.389
bonds (distance) P-C4' energy: -17.155
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -13.637
tors. eta vs tors. theta energy: -24.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -254.380533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.380533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.380533 (E_RNA)
where:
Base-Base interactions energy: -161.615
where: short stacking energy: -71.337
Base-Backbone interact. energy: 0.614
local terms energy: -93.379407
where:
bonds (distance) C4'-P energy: -16.967
bonds (distance) P-C4' energy: -19.211
flat angles C4'-P-C4' energy: -18.872
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -26.283
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: 5
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -232.533378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.533378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.533378 (E_RNA)
where:
Base-Base interactions energy: -150.026
where: short stacking energy: -73.401
Base-Backbone interact. energy: -0.053
local terms energy: -82.454123
where:
bonds (distance) C4'-P energy: -18.378
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -21.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -229.863317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.863317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.863317 (E_RNA)
where:
Base-Base interactions energy: -147.274
where: short stacking energy: -66.620
Base-Backbone interact. energy: 0.274
local terms energy: -82.862943
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -15.382
flat angles C4'-P-C4' energy: -18.487
flat angles P-C4'-P energy: -12.782
tors. eta vs tors. theta energy: -19.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -192.728557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.728557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.728557 (E_RNA)
where:
Base-Base interactions energy: -123.670
where: short stacking energy: -64.054
Base-Backbone interact. energy: 2.654
local terms energy: -71.712485
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -18.041
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -12.909
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: 7
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -89.288505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.288505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.288505 (E_RNA)
where:
Base-Base interactions energy: -30.643
where: short stacking energy: -30.643
Base-Backbone interact. energy: -0.016
local terms energy: -58.629250
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -17.532
flat angles C4'-P-C4' energy: -13.453
flat angles P-C4'-P energy: -7.245
tors. eta vs tors. theta energy: -6.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -87.650268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.650268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.650268 (E_RNA)
where:
Base-Base interactions energy: -25.962
where: short stacking energy: -22.919
Base-Backbone interact. energy: 1.411
local terms energy: -63.099086
where:
bonds (distance) C4'-P energy: -17.588
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -14.183
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: 10, replica: 8
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -81.597824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.597824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.597824 (E_RNA)
where:
Base-Base interactions energy: -22.947
where: short stacking energy: -18.424
Base-Backbone interact. energy: -0.175
local terms energy: -58.475272
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -11.906
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: -1.575
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: 4
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -262.137801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.137801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.137801 (E_RNA)
where:
Base-Base interactions energy: -167.358
where: short stacking energy: -82.699
Base-Backbone interact. energy: -0.005
local terms energy: -94.774594
where:
bonds (distance) C4'-P energy: -19.998
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -19.911
flat angles P-C4'-P energy: -13.928
tors. eta vs tors. theta energy: -24.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -261.715269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.715269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.715269 (E_RNA)
where:
Base-Base interactions energy: -175.340
where: short stacking energy: -83.534
Base-Backbone interact. energy: -0.029
local terms energy: -86.346657
where:
bonds (distance) C4'-P energy: -14.556
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -25.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -252.055400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.055400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.055400 (E_RNA)
where:
Base-Base interactions energy: -167.636
where: short stacking energy: -79.911
Base-Backbone interact. energy: -0.409
local terms energy: -84.010571
where:
bonds (distance) C4'-P energy: -17.642
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -8.192
tors. eta vs tors. theta energy: -25.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -243.747862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.747862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.747862 (E_RNA)
where:
Base-Base interactions energy: -160.404
where: short stacking energy: -78.230
Base-Backbone interact. energy: -0.273
local terms energy: -83.070554
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -16.101
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -26.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -239.516462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.516462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.516462 (E_RNA)
where:
Base-Base interactions energy: -158.449
where: short stacking energy: -76.167
Base-Backbone interact. energy: 1.133
local terms energy: -82.199919
where:
bonds (distance) C4'-P energy: -18.475
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -18.739
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -21.784
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: 1
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -232.777908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.777908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.777908 (E_RNA)
where:
Base-Base interactions energy: -152.779
where: short stacking energy: -68.576
Base-Backbone interact. energy: 0.133
local terms energy: -80.131900
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -16.189
flat angles P-C4'-P energy: -13.136
tors. eta vs tors. theta energy: -23.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -225.629905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.629905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.629905 (E_RNA)
where:
Base-Base interactions energy: -150.259
where: short stacking energy: -66.849
Base-Backbone interact. energy: -0.155
local terms energy: -75.215503
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -17.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -91.745758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.745758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.745758 (E_RNA)
where:
Base-Base interactions energy: -33.441
where: short stacking energy: -33.441
Base-Backbone interact. energy: 0.179
local terms energy: -58.483223
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -16.226
flat angles C4'-P-C4' energy: -11.687
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -7.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -89.126088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.126088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.126088 (E_RNA)
where:
Base-Base interactions energy: -38.971
where: short stacking energy: -36.494
Base-Backbone interact. energy: 1.040
local terms energy: -51.194332
where:
bonds (distance) C4'-P energy: -10.070
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -1.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -91.909180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.909180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.909180 (E_RNA)
where:
Base-Base interactions energy: -39.195
where: short stacking energy: -34.007
Base-Backbone interact. energy: 0.184
local terms energy: -52.898276
where:
bonds (distance) C4'-P energy: -14.423
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -4.623
flat angles P-C4'-P energy: -12.914
tors. eta vs tors. theta energy: -5.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -263.639799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.639799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.639799 (E_RNA)
where:
Base-Base interactions energy: -167.188
where: short stacking energy: -88.870
Base-Backbone interact. energy: 4.182
local terms energy: -100.634003
where:
bonds (distance) C4'-P energy: -18.251
bonds (distance) P-C4' energy: -19.754
flat angles C4'-P-C4' energy: -21.166
flat angles P-C4'-P energy: -14.476
tors. eta vs tors. theta energy: -26.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -261.215973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.215973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.215973 (E_RNA)
where:
Base-Base interactions energy: -170.823
where: short stacking energy: -79.794
Base-Backbone interact. energy: -0.158
local terms energy: -90.235025
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -17.371
flat angles P-C4'-P energy: -15.245
tors. eta vs tors. theta energy: -24.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -247.364197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.364197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.364197 (E_RNA)
where:
Base-Base interactions energy: -167.583
where: short stacking energy: -79.876
Base-Backbone interact. energy: -0.011
local terms energy: -79.769544
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -11.132
tors. eta vs tors. theta energy: -22.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -244.522945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.522945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.522945 (E_RNA)
where:
Base-Base interactions energy: -164.485
where: short stacking energy: -76.526
Base-Backbone interact. energy: -0.036
local terms energy: -80.001988
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -16.929
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -22.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -233.243227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.243227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.243227 (E_RNA)
where:
Base-Base interactions energy: -146.713
where: short stacking energy: -65.326
Base-Backbone interact. energy: 1.502
local terms energy: -88.032084
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -18.757
flat angles C4'-P-C4' energy: -20.190
flat angles P-C4'-P energy: -14.590
tors. eta vs tors. theta energy: -22.521
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: 6, replica: 10
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -219.917564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.917564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.917564 (E_RNA)
where:
Base-Base interactions energy: -152.665
where: short stacking energy: -67.714
Base-Backbone interact. energy: -0.030
local terms energy: -67.222390
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -6.579
flat angles C4'-P-C4' energy: -14.017
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -22.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -199.888007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.888007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.888007 (E_RNA)
where:
Base-Base interactions energy: -118.180
where: short stacking energy: -59.377
Base-Backbone interact. energy: -0.115
local terms energy: -81.593010
where:
bonds (distance) C4'-P energy: -16.053
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -13.308
tors. eta vs tors. theta energy: -19.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -93.381596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.381596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.381596 (E_RNA)
where:
Base-Base interactions energy: -32.438
where: short stacking energy: -31.709
Base-Backbone interact. energy: -0.220
local terms energy: -60.723482
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -15.886
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -12.395
tors. eta vs tors. theta energy: -3.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -91.460781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.460781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.460781 (E_RNA)
where:
Base-Base interactions energy: -51.211
where: short stacking energy: -27.706
Base-Backbone interact. energy: -0.252
local terms energy: -39.998252
where:
bonds (distance) C4'-P energy: -9.826
bonds (distance) P-C4' energy: -13.196
flat angles C4'-P-C4' energy: -11.262
flat angles P-C4'-P energy: -1.650
tors. eta vs tors. theta energy: -4.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -87.386115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.386115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.386115 (E_RNA)
where:
Base-Base interactions energy: -34.289
where: short stacking energy: -17.009
Base-Backbone interact. energy: -1.030
local terms energy: -52.067873
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -16.162
flat angles C4'-P-C4' energy: -9.018
flat angles P-C4'-P energy: -13.436
tors. eta vs tors. theta energy: 4.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -265.981472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.981472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.981472 (E_RNA)
where:
Base-Base interactions energy: -170.864
where: short stacking energy: -85.602
Base-Backbone interact. energy: -0.085
local terms energy: -95.032515
where:
bonds (distance) C4'-P energy: -18.445
bonds (distance) P-C4' energy: -20.909
flat angles C4'-P-C4' energy: -19.700
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -26.538
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: 4
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -249.959861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.959861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.959861 (E_RNA)
where:
Base-Base interactions energy: -159.863
where: short stacking energy: -73.002
Base-Backbone interact. energy: -0.026
local terms energy: -90.071067
where:
bonds (distance) C4'-P energy: -17.550
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -15.210
tors. eta vs tors. theta energy: -25.148
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: 6
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -235.306901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.306901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.306901 (E_RNA)
where:
Base-Base interactions energy: -149.524
where: short stacking energy: -62.022
Base-Backbone interact. energy: -0.124
local terms energy: -85.658432
where:
bonds (distance) C4'-P energy: -16.185
bonds (distance) P-C4' energy: -19.429
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -13.769
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: 4, replica: 2
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -245.785427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.785427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.785427 (E_RNA)
where:
Base-Base interactions energy: -158.282
where: short stacking energy: -76.629
Base-Backbone interact. energy: -0.013
local terms energy: -87.490357
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -18.532
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -24.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -210.959948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.959948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.959948 (E_RNA)
where:
Base-Base interactions energy: -135.966
where: short stacking energy: -67.742
Base-Backbone interact. energy: 0.287
local terms energy: -75.281473
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -17.765
flat angles C4'-P-C4' energy: -16.693
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: -14.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -172.176459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.176459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.176459 (E_RNA)
where:
Base-Base interactions energy: -114.140
where: short stacking energy: -48.445
Base-Backbone interact. energy: -0.176
local terms energy: -57.860284
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -16.619
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -7.979
tors. eta vs tors. theta energy: -2.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -202.943672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.943672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.943672 (E_RNA)
where:
Base-Base interactions energy: -126.502
where: short stacking energy: -59.947
Base-Backbone interact. energy: -0.054
local terms energy: -76.387073
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -18.837
flat angles P-C4'-P energy: -11.543
tors. eta vs tors. theta energy: -13.840
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: 412
Temperature: 1.250000
Total energy: -90.859563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.859563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.859563 (E_RNA)
where:
Base-Base interactions energy: -24.791
where: short stacking energy: -24.791
Base-Backbone interact. energy: 0.388
local terms energy: -66.456457
where:
bonds (distance) C4'-P energy: -18.727
bonds (distance) P-C4' energy: -14.672
flat angles C4'-P-C4' energy: -19.165
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -2.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -79.600299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.600299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.600299 (E_RNA)
where:
Base-Base interactions energy: -35.569
where: short stacking energy: -12.067
Base-Backbone interact. energy: -0.366
local terms energy: -43.665178
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -19.190
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -5.046
tors. eta vs tors. theta energy: 5.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -74.519149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.519149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.519149 (E_RNA)
where:
Base-Base interactions energy: -22.831
where: short stacking energy: -21.496
Base-Backbone interact. energy: -0.204
local terms energy: -51.484651
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: 4.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -267.049467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.049467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.049467 (E_RNA)
where:
Base-Base interactions energy: -167.893
where: short stacking energy: -82.184
Base-Backbone interact. energy: -0.676
local terms energy: -98.480201
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -19.680
flat angles C4'-P-C4' energy: -20.242
flat angles P-C4'-P energy: -14.590
tors. eta vs tors. theta energy: -27.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -257.606060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.606060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.606060 (E_RNA)
where:
Base-Base interactions energy: -170.921
where: short stacking energy: -78.900
Base-Backbone interact. energy: -0.146
local terms energy: -86.538890
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -18.471
flat angles C4'-P-C4' energy: -17.486
flat angles P-C4'-P energy: -11.663
tors. eta vs tors. theta energy: -24.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -243.690058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.690058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.690058 (E_RNA)
where:
Base-Base interactions energy: -156.896
where: short stacking energy: -74.138
Base-Backbone interact. energy: -0.069
local terms energy: -86.725363
where:
bonds (distance) C4'-P energy: -18.843
bonds (distance) P-C4' energy: -20.165
flat angles C4'-P-C4' energy: -12.972
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -25.587
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: 2
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -233.103523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.103523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.103523 (E_RNA)
where:
Base-Base interactions energy: -150.904
where: short stacking energy: -72.144
Base-Backbone interact. energy: -0.162
local terms energy: -82.037178
where:
bonds (distance) C4'-P energy: -12.421
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -19.067
flat angles P-C4'-P energy: -13.991
tors. eta vs tors. theta energy: -20.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -236.636173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.636173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.636173 (E_RNA)
where:
Base-Base interactions energy: -154.459
where: short stacking energy: -68.666
Base-Backbone interact. energy: -0.066
local terms energy: -82.110890
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -19.402
flat angles C4'-P-C4' energy: -16.440
flat angles P-C4'-P energy: -11.061
tors. eta vs tors. theta energy: -19.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -213.731133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.731133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.731133 (E_RNA)
where:
Base-Base interactions energy: -137.892
where: short stacking energy: -73.596
Base-Backbone interact. energy: -0.106
local terms energy: -75.733351
where:
bonds (distance) C4'-P energy: -8.322
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -13.469
tors. eta vs tors. theta energy: -20.974
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: 10
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -204.747441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.747441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.747441 (E_RNA)
where:
Base-Base interactions energy: -127.754
where: short stacking energy: -65.477
Base-Backbone interact. energy: -0.119
local terms energy: -76.874376
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -19.079
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -19.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -101.960995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.960995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.960995 (E_RNA)
where:
Base-Base interactions energy: -37.510
where: short stacking energy: -37.346
Base-Backbone interact. energy: -0.350
local terms energy: -64.101765
where:
bonds (distance) C4'-P energy: -10.881
bonds (distance) P-C4' energy: -16.512
flat angles C4'-P-C4' energy: -16.746
flat angles P-C4'-P energy: -9.103
tors. eta vs tors. theta energy: -10.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -91.870569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.870569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.870569 (E_RNA)
where:
Base-Base interactions energy: -31.472
where: short stacking energy: -31.472
Base-Backbone interact. energy: -0.146
local terms energy: -60.253049
where:
bonds (distance) C4'-P energy: -18.181
bonds (distance) P-C4' energy: -20.285
flat angles C4'-P-C4' energy: -11.993
flat angles P-C4'-P energy: -4.626
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: 3
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -88.509992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.509992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.509992 (E_RNA)
where:
Base-Base interactions energy: -32.544
where: short stacking energy: -24.162
Base-Backbone interact. energy: 0.610
local terms energy: -56.576472
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -18.285
flat angles C4'-P-C4' energy: -9.811
flat angles P-C4'-P energy: -12.721
tors. eta vs tors. theta energy: -1.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -266.411976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.411976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.411976 (E_RNA)
where:
Base-Base interactions energy: -175.555
where: short stacking energy: -89.503
Base-Backbone interact. energy: -0.001
local terms energy: -90.856098
where:
bonds (distance) C4'-P energy: -16.089
bonds (distance) P-C4' energy: -14.516
flat angles C4'-P-C4' energy: -20.183
flat angles P-C4'-P energy: -13.083
tors. eta vs tors. theta energy: -26.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -256.098298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.098298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.098298 (E_RNA)
where:
Base-Base interactions energy: -172.864
where: short stacking energy: -79.538
Base-Backbone interact. energy: 3.694
local terms energy: -86.928133
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -16.997
flat angles C4'-P-C4' energy: -19.930
flat angles P-C4'-P energy: -13.515
tors. eta vs tors. theta energy: -21.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -249.132582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.132582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.132582 (E_RNA)
where:
Base-Base interactions energy: -164.492
where: short stacking energy: -77.075
Base-Backbone interact. energy: -0.050
local terms energy: -84.590314
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -15.324
flat angles C4'-P-C4' energy: -17.657
flat angles P-C4'-P energy: -13.628
tors. eta vs tors. theta energy: -21.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -253.563129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.563129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.563129 (E_RNA)
where:
Base-Base interactions energy: -166.305
where: short stacking energy: -80.783
Base-Backbone interact. energy: -0.020
local terms energy: -87.237895
where:
bonds (distance) C4'-P energy: -15.931
bonds (distance) P-C4' energy: -18.407
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -25.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -236.033649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.033649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.033649 (E_RNA)
where:
Base-Base interactions energy: -151.144
where: short stacking energy: -71.338
Base-Backbone interact. energy: -0.098
local terms energy: -84.791749
where:
bonds (distance) C4'-P energy: -16.670
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -24.081
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: 1
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -218.281668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.281668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.281668 (E_RNA)
where:
Base-Base interactions energy: -140.752
where: short stacking energy: -70.006
Base-Backbone interact. energy: -0.057
local terms energy: -77.472519
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -5.188
tors. eta vs tors. theta energy: -24.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -208.537759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.537759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.537759 (E_RNA)
where:
Base-Base interactions energy: -132.556
where: short stacking energy: -63.995
Base-Backbone interact. energy: -1.044
local terms energy: -74.937744
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -11.103
flat angles C4'-P-C4' energy: -16.104
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -24.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -94.430265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.430265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.430265 (E_RNA)
where:
Base-Base interactions energy: -31.643
where: short stacking energy: -30.149
Base-Backbone interact. energy: 0.590
local terms energy: -63.378083
where:
bonds (distance) C4'-P energy: -11.609
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -18.973
flat angles P-C4'-P energy: -9.270
tors. eta vs tors. theta energy: -8.407
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: 3
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -89.339320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.339320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.339320 (E_RNA)
where:
Base-Base interactions energy: -24.608
where: short stacking energy: -24.608
Base-Backbone interact. energy: -0.659
local terms energy: -64.072509
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -18.791
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -15.026
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: 10, replica: 7
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -79.808457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.808457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.808457 (E_RNA)
where:
Base-Base interactions energy: -28.273
where: short stacking energy: -20.642
Base-Backbone interact. energy: -0.229
local terms energy: -51.305923
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -10.450
flat angles C4'-P-C4' energy: -11.054
flat angles P-C4'-P energy: -7.428
tors. eta vs tors. theta energy: -8.271
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: 9
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -265.839275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.839275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.839275 (E_RNA)
where:
Base-Base interactions energy: -176.883
where: short stacking energy: -85.310
Base-Backbone interact. energy: -0.109
local terms energy: -88.847597
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -19.628
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -25.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -259.205304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.205304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.205304 (E_RNA)
where:
Base-Base interactions energy: -173.039
where: short stacking energy: -85.198
Base-Backbone interact. energy: -0.026
local terms energy: -86.140381
where:
bonds (distance) C4'-P energy: -15.497
bonds (distance) P-C4' energy: -16.909
flat angles C4'-P-C4' energy: -16.627
flat angles P-C4'-P energy: -12.751
tors. eta vs tors. theta energy: -24.356
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: 415
Temperature: 1.000000
Total energy: -249.761835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.761835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.761835 (E_RNA)
where:
Base-Base interactions energy: -161.940
where: short stacking energy: -83.043
Base-Backbone interact. energy: -0.573
local terms energy: -87.248634
where:
bonds (distance) C4'-P energy: -18.259
bonds (distance) P-C4' energy: -17.574
flat angles C4'-P-C4' energy: -17.383
flat angles P-C4'-P energy: -11.926
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: 4, replica: 5
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -239.179842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.179842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.179842 (E_RNA)
where:
Base-Base interactions energy: -155.838
where: short stacking energy: -73.267
Base-Backbone interact. energy: -0.059
local terms energy: -83.283126
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -19.785
flat angles C4'-P-C4' energy: -19.570
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -22.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -238.461965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.461965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.461965 (E_RNA)
where:
Base-Base interactions energy: -157.395
where: short stacking energy: -67.299
Base-Backbone interact. energy: -0.107
local terms energy: -80.960172
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -18.107
flat angles C4'-P-C4' energy: -17.143
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -21.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -215.756348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.756348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.756348 (E_RNA)
where:
Base-Base interactions energy: -139.117
where: short stacking energy: -56.873
Base-Backbone interact. energy: -0.113
local terms energy: -76.526427
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -6.236
tors. eta vs tors. theta energy: -20.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -222.625844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.625844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.625844 (E_RNA)
where:
Base-Base interactions energy: -142.139
where: short stacking energy: -66.840
Base-Backbone interact. energy: -0.085
local terms energy: -80.402153
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -17.819
flat angles C4'-P-C4' energy: -17.039
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -20.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -94.644991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.644991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.644991 (E_RNA)
where:
Base-Base interactions energy: -50.588
where: short stacking energy: -45.525
Base-Backbone interact. energy: -0.039
local terms energy: -44.017578
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -12.012
flat angles P-C4'-P energy: -3.619
tors. eta vs tors. theta energy: -0.647
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: 8
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -87.933723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.933723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.933723 (E_RNA)
where:
Base-Base interactions energy: -27.325
where: short stacking energy: -25.091
Base-Backbone interact. energy: -0.148
local terms energy: -60.461117
where:
bonds (distance) C4'-P energy: -9.843
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -13.512
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: 10, replica: 7
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -84.261431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.261431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.261431 (E_RNA)
where:
Base-Base interactions energy: -34.896
where: short stacking energy: -22.192
Base-Backbone interact. energy: 1.262
local terms energy: -50.627590
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -5.434
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: 2
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -266.177981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.177981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.177981 (E_RNA)
where:
Base-Base interactions energy: -176.569
where: short stacking energy: -83.385
Base-Backbone interact. energy: -0.091
local terms energy: -89.517157
where:
bonds (distance) C4'-P energy: -15.028
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -13.516
tors. eta vs tors. theta energy: -26.852
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: 2, replica: 9
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -260.907914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.907914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.907914 (E_RNA)
where:
Base-Base interactions energy: -172.152
where: short stacking energy: -77.382
Base-Backbone interact. energy: -0.008
local terms energy: -88.748038
where:
bonds (distance) C4'-P energy: -18.396
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -17.487
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -26.414
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: 6
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -250.265801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.265801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.265801 (E_RNA)
where:
Base-Base interactions energy: -158.993
where: short stacking energy: -72.887
Base-Backbone interact. energy: -0.006
local terms energy: -91.266703
where:
bonds (distance) C4'-P energy: -17.982
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -18.662
flat angles P-C4'-P energy: -13.192
tors. eta vs tors. theta energy: -21.921
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: 5
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -254.427182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.427182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.427182 (E_RNA)
where:
Base-Base interactions energy: -164.241
where: short stacking energy: -82.798
Base-Backbone interact. energy: -0.055
local terms energy: -90.131145
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -17.338
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -27.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -230.474903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.474903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.474903 (E_RNA)
where:
Base-Base interactions energy: -145.337
where: short stacking energy: -68.786
Base-Backbone interact. energy: -0.102
local terms energy: -85.036224
where:
bonds (distance) C4'-P energy: -17.337
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -13.026
tors. eta vs tors. theta energy: -21.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -231.646211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.646211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.646211 (E_RNA)
where:
Base-Base interactions energy: -151.251
where: short stacking energy: -67.242
Base-Backbone interact. energy: -0.029
local terms energy: -80.366717
where:
bonds (distance) C4'-P energy: -15.872
bonds (distance) P-C4' energy: -12.537
flat angles C4'-P-C4' energy: -19.462
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -21.807
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: 7, replica: 1
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -218.730948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.730948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.730948 (E_RNA)
where:
Base-Base interactions energy: -147.429
where: short stacking energy: -68.495
Base-Backbone interact. energy: -0.073
local terms energy: -71.228771
where:
bonds (distance) C4'-P energy: -9.588
bonds (distance) P-C4' energy: -12.558
flat angles C4'-P-C4' energy: -17.914
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -22.542
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: 3
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -84.418748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.418748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.418748 (E_RNA)
where:
Base-Base interactions energy: -24.427
where: short stacking energy: -25.498
Base-Backbone interact. energy: -0.168
local terms energy: -59.823371
where:
bonds (distance) C4'-P energy: -15.558
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -7.995
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: 9, replica: 8
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -88.508039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.508039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.508039 (E_RNA)
where:
Base-Base interactions energy: -41.453
where: short stacking energy: -42.053
Base-Backbone interact. energy: 0.624
local terms energy: -47.678872
where:
bonds (distance) C4'-P energy: -11.903
bonds (distance) P-C4' energy: -13.291
flat angles C4'-P-C4' energy: -15.406
flat angles P-C4'-P energy: -2.780
tors. eta vs tors. theta energy: -4.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -81.011623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.011623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.011623 (E_RNA)
where:
Base-Base interactions energy: -29.294
where: short stacking energy: -28.604
Base-Backbone interact. energy: 1.103
local terms energy: -52.820127
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -20.451
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: 5.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -267.089781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.089781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.089781 (E_RNA)
where:
Base-Base interactions energy: -179.515
where: short stacking energy: -78.016
Base-Backbone interact. energy: -0.021
local terms energy: -87.554348
where:
bonds (distance) C4'-P energy: -13.852
bonds (distance) P-C4' energy: -17.427
flat angles C4'-P-C4' energy: -20.823
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -25.494
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: 6
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -257.788746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.788746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.788746 (E_RNA)
where:
Base-Base interactions energy: -175.370
where: short stacking energy: -80.323
Base-Backbone interact. energy: -0.049
local terms energy: -82.369743
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -14.182
flat angles C4'-P-C4' energy: -19.248
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -24.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -253.798680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.798680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.798680 (E_RNA)
where:
Base-Base interactions energy: -166.908
where: short stacking energy: -76.737
Base-Backbone interact. energy: -0.025
local terms energy: -86.865530
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -17.428
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: -25.710
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: 417
Temperature: 1.050000
Total energy: -237.201793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.201793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.201793 (E_RNA)
where:
Base-Base interactions energy: -161.385
where: short stacking energy: -74.005
Base-Backbone interact. energy: -0.048
local terms energy: -75.768871
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -11.604
flat angles C4'-P-C4' energy: -19.317
flat angles P-C4'-P energy: -11.879
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: 5, replica: 4
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -235.547282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.547282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.547282 (E_RNA)
where:
Base-Base interactions energy: -160.681
where: short stacking energy: -79.759
Base-Backbone interact. energy: -0.233
local terms energy: -74.632989
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -14.391
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -22.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -177.291203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.291203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.291203 (E_RNA)
where:
Base-Base interactions energy: -102.770
where: short stacking energy: -42.751
Base-Backbone interact. energy: -0.274
local terms energy: -74.247170
where:
bonds (distance) C4'-P energy: -15.517
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -11.519
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: 10
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -227.362532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.362532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.362532 (E_RNA)
where:
Base-Base interactions energy: -153.348
where: short stacking energy: -69.035
Base-Backbone interact. energy: 0.722
local terms energy: -74.736428
where:
bonds (distance) C4'-P energy: -17.060
bonds (distance) P-C4' energy: -14.091
flat angles C4'-P-C4' energy: -17.439
flat angles P-C4'-P energy: -8.699
tors. eta vs tors. theta energy: -17.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -90.373111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.373111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.373111 (E_RNA)
where:
Base-Base interactions energy: -36.494
where: short stacking energy: -36.455
Base-Backbone interact. energy: -0.020
local terms energy: -53.858994
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -10.935
flat angles P-C4'-P energy: -6.912
tors. eta vs tors. theta energy: -5.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -88.546369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.546369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.546369 (E_RNA)
where:
Base-Base interactions energy: -31.548
where: short stacking energy: -31.548
Base-Backbone interact. energy: -0.274
local terms energy: -56.724225
where:
bonds (distance) C4'-P energy: -18.099
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -10.792
flat angles P-C4'-P energy: -6.142
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: 10, replica: 7
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -75.449810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.449810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.449810 (E_RNA)
where:
Base-Base interactions energy: -25.941
where: short stacking energy: -23.678
Base-Backbone interact. energy: -0.121
local terms energy: -49.387943
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -14.531
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -5.978
tors. eta vs tors. theta energy: -0.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -260.048545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.048545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.048545 (E_RNA)
where:
Base-Base interactions energy: -167.778
where: short stacking energy: -82.319
Base-Backbone interact. energy: -0.094
local terms energy: -92.176969
where:
bonds (distance) C4'-P energy: -17.535
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -19.536
flat angles P-C4'-P energy: -14.141
tors. eta vs tors. theta energy: -25.980
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: 6
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -265.232448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.232448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.232448 (E_RNA)
where:
Base-Base interactions energy: -178.729
where: short stacking energy: -83.986
Base-Backbone interact. energy: 0.306
local terms energy: -86.809519
where:
bonds (distance) C4'-P energy: -16.988
bonds (distance) P-C4' energy: -18.016
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -26.584
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: 3, replica: 5
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -240.877923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.877923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.877923 (E_RNA)
where:
Base-Base interactions energy: -156.319
where: short stacking energy: -70.478
Base-Backbone interact. energy: -0.089
local terms energy: -84.469617
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -19.257
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -24.944
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: 418
Temperature: 1.050000
Total energy: -253.800192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.800192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.800192 (E_RNA)
where:
Base-Base interactions energy: -165.587
where: short stacking energy: -80.097
Base-Backbone interact. energy: -0.257
local terms energy: -87.955970
where:
bonds (distance) C4'-P energy: -19.700
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -14.549
tors. eta vs tors. theta energy: -25.035
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: 1
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -224.879765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.879765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.879765 (E_RNA)
where:
Base-Base interactions energy: -153.015
where: short stacking energy: -71.904
Base-Backbone interact. energy: -0.195
local terms energy: -71.669417
where:
bonds (distance) C4'-P energy: -8.675
bonds (distance) P-C4' energy: -18.135
flat angles C4'-P-C4' energy: -12.553
flat angles P-C4'-P energy: -12.545
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: 6, replica: 4
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -222.709069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.709069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.709069 (E_RNA)
where:
Base-Base interactions energy: -138.086
where: short stacking energy: -60.880
Base-Backbone interact. energy: -0.178
local terms energy: -84.445119
where:
bonds (distance) C4'-P energy: -19.494
bonds (distance) P-C4' energy: -20.172
flat angles C4'-P-C4' energy: -11.997
flat angles P-C4'-P energy: -13.623
tors. eta vs tors. theta energy: -19.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -202.414497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.414497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.414497 (E_RNA)
where:
Base-Base interactions energy: -130.412
where: short stacking energy: -56.003
Base-Backbone interact. energy: -0.597
local terms energy: -71.405558
where:
bonds (distance) C4'-P energy: -16.939
bonds (distance) P-C4' energy: -17.920
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -8.667
tors. eta vs tors. theta energy: -15.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -99.175891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.175891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.175891 (E_RNA)
where:
Base-Base interactions energy: -41.756
where: short stacking energy: -41.395
Base-Backbone interact. energy: 0.448
local terms energy: -57.868651
where:
bonds (distance) C4'-P energy: -16.670
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -12.069
flat angles P-C4'-P energy: -8.576
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: 9, replica: 7
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -100.426887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.426887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.426887 (E_RNA)
where:
Base-Base interactions energy: -46.702
where: short stacking energy: -25.146
Base-Backbone interact. energy: -0.174
local terms energy: -53.551087
where:
bonds (distance) C4'-P energy: -18.178
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -12.232
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -1.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -76.302534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.302534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.302534 (E_RNA)
where:
Base-Base interactions energy: -25.538
where: short stacking energy: -20.768
Base-Backbone interact. energy: 0.091
local terms energy: -50.855515
where:
bonds (distance) C4'-P energy: -17.564
bonds (distance) P-C4' energy: -14.791
flat angles C4'-P-C4' energy: -10.894
flat angles P-C4'-P energy: -7.438
tors. eta vs tors. theta energy: -0.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -261.577840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.577840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.577840 (E_RNA)
where:
Base-Base interactions energy: -172.999
where: short stacking energy: -81.830
Base-Backbone interact. energy: -0.138
local terms energy: -88.440330
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -18.026
flat angles C4'-P-C4' energy: -17.867
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -24.533
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: 2, replica: 5
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -258.159454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.159454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.159454 (E_RNA)
where:
Base-Base interactions energy: -171.874
where: short stacking energy: -83.629
Base-Backbone interact. energy: -0.009
local terms energy: -86.277264
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -17.783
flat angles P-C4'-P energy: -12.516
tors. eta vs tors. theta energy: -25.261
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: 6
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -238.949891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.949891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.949891 (E_RNA)
where:
Base-Base interactions energy: -157.574
where: short stacking energy: -75.957
Base-Backbone interact. energy: -0.698
local terms energy: -80.677099
where:
bonds (distance) C4'-P energy: -17.720
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -17.117
flat angles P-C4'-P energy: -11.092
tors. eta vs tors. theta energy: -20.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -220.218558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.218558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.218558 (E_RNA)
where:
Base-Base interactions energy: -145.131
where: short stacking energy: -64.432
Base-Backbone interact. energy: -0.094
local terms energy: -74.993228
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -19.398
flat angles P-C4'-P energy: -15.061
tors. eta vs tors. theta energy: -15.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -230.270374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.270374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.270374 (E_RNA)
where:
Base-Base interactions energy: -148.210
where: short stacking energy: -75.293
Base-Backbone interact. energy: -0.099
local terms energy: -81.961167
where:
bonds (distance) C4'-P energy: -16.037
bonds (distance) P-C4' energy: -16.989
flat angles C4'-P-C4' energy: -18.719
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -20.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -221.780633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.780633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.780633 (E_RNA)
where:
Base-Base interactions energy: -143.014
where: short stacking energy: -68.139
Base-Backbone interact. energy: -0.626
local terms energy: -78.140597
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -15.086
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -23.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -211.612999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.612999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.612999 (E_RNA)
where:
Base-Base interactions energy: -134.949
where: short stacking energy: -56.771
Base-Backbone interact. energy: -0.081
local terms energy: -76.582883
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -17.466
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -19.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -96.166087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.166087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.166087 (E_RNA)
where:
Base-Base interactions energy: -37.260
where: short stacking energy: -32.837
Base-Backbone interact. energy: 0.873
local terms energy: -59.779841
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -18.077
flat angles C4'-P-C4' energy: -15.388
flat angles P-C4'-P energy: -3.440
tors. eta vs tors. theta energy: -6.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -88.578436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.578436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.578436 (E_RNA)
where:
Base-Base interactions energy: -30.886
where: short stacking energy: -26.413
Base-Backbone interact. energy: -0.117
local terms energy: -57.575698
where:
bonds (distance) C4'-P energy: -13.487
bonds (distance) P-C4' energy: -16.960
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: -3.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -86.879610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.879610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.879610 (E_RNA)
where:
Base-Base interactions energy: -34.884
where: short stacking energy: -31.405
Base-Backbone interact. energy: -0.334
local terms energy: -51.661617
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -10.732
flat angles P-C4'-P energy: -7.822
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: 1, replica: 2
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -271.765647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.765647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.765647 (E_RNA)
where:
Base-Base interactions energy: -178.238
where: short stacking energy: -86.749
Base-Backbone interact. energy: -0.027
local terms energy: -93.500342
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -19.887
flat angles C4'-P-C4' energy: -17.477
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: -27.085
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: 5
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -259.852792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.852792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.852792 (E_RNA)
where:
Base-Base interactions energy: -170.579
where: short stacking energy: -86.897
Base-Backbone interact. energy: -0.028
local terms energy: -89.246009
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -19.389
flat angles P-C4'-P energy: -12.265
tors. eta vs tors. theta energy: -25.316
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: 1
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -242.383096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.383096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.383096 (E_RNA)
where:
Base-Base interactions energy: -161.961
where: short stacking energy: -76.596
Base-Backbone interact. energy: -0.066
local terms energy: -80.355215
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -13.628
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -13.604
tors. eta vs tors. theta energy: -21.362
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: 6
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -254.973474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.973474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.973474 (E_RNA)
where:
Base-Base interactions energy: -166.033
where: short stacking energy: -74.520
Base-Backbone interact. energy: 0.417
local terms energy: -89.356968
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -17.189
flat angles C4'-P-C4' energy: -17.518
flat angles P-C4'-P energy: -13.948
tors. eta vs tors. theta energy: -23.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -233.937486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.937486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.937486 (E_RNA)
where:
Base-Base interactions energy: -154.251
where: short stacking energy: -70.111
Base-Backbone interact. energy: -0.305
local terms energy: -79.381599
where:
bonds (distance) C4'-P energy: -15.202
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -23.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -213.643213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.643213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.643213 (E_RNA)
where:
Base-Base interactions energy: -143.621
where: short stacking energy: -56.448
Base-Backbone interact. energy: -0.192
local terms energy: -69.830638
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -13.637
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -14.446
tors. eta vs tors. theta energy: -14.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -239.142891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.142891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.142891 (E_RNA)
where:
Base-Base interactions energy: -154.727
where: short stacking energy: -72.112
Base-Backbone interact. energy: -0.002
local terms energy: -84.413452
where:
bonds (distance) C4'-P energy: -16.637
bonds (distance) P-C4' energy: -9.084
flat angles C4'-P-C4' energy: -19.196
flat angles P-C4'-P energy: -11.625
tors. eta vs tors. theta energy: -27.873
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: 8
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -94.632337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.632337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.632337 (E_RNA)
where:
Base-Base interactions energy: -35.965
where: short stacking energy: -28.066
Base-Backbone interact. energy: -0.239
local terms energy: -58.428033
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -17.225
flat angles P-C4'-P energy: -12.990
tors. eta vs tors. theta energy: 0.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -95.447390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.447390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.447390 (E_RNA)
where:
Base-Base interactions energy: -32.551
where: short stacking energy: -32.551
Base-Backbone interact. energy: -0.727
local terms energy: -62.170056
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -18.092
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -4.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -92.797125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.797125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.797125 (E_RNA)
where:
Base-Base interactions energy: -37.835
where: short stacking energy: -28.844
Base-Backbone interact. energy: -1.208
local terms energy: -53.754399
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -3.253
tors. eta vs tors. theta energy: -4.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -260.262106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.262106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.262106 (E_RNA)
where:
Base-Base interactions energy: -166.727
where: short stacking energy: -81.170
Base-Backbone interact. energy: -0.000
local terms energy: -93.534314
where:
bonds (distance) C4'-P energy: -17.142
bonds (distance) P-C4' energy: -18.460
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -14.505
tors. eta vs tors. theta energy: -26.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -258.413823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.413823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.413823 (E_RNA)
where:
Base-Base interactions energy: -166.965
where: short stacking energy: -73.625
Base-Backbone interact. energy: -0.398
local terms energy: -91.050605
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -19.937
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -26.076
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: 421
Temperature: 1.000000
Total energy: -252.229745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.229745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.229745 (E_RNA)
where:
Base-Base interactions energy: -163.864
where: short stacking energy: -80.526
Base-Backbone interact. energy: -0.060
local terms energy: -88.306198
where:
bonds (distance) C4'-P energy: -18.206
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -14.321
tors. eta vs tors. theta energy: -24.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -251.216835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.216835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.216835 (E_RNA)
where:
Base-Base interactions energy: -168.117
where: short stacking energy: -77.862
Base-Backbone interact. energy: -0.075
local terms energy: -83.024724
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -20.758
flat angles P-C4'-P energy: -11.439
tors. eta vs tors. theta energy: -22.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -219.066069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.066069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.066069 (E_RNA)
where:
Base-Base interactions energy: -142.449
where: short stacking energy: -62.055
Base-Backbone interact. energy: -0.241
local terms energy: -76.376309
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -10.898
flat angles C4'-P-C4' energy: -19.017
flat angles P-C4'-P energy: -11.626
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: 6, replica: 10
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -241.249682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.249682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.249682 (E_RNA)
where:
Base-Base interactions energy: -157.380
where: short stacking energy: -64.989
Base-Backbone interact. energy: -0.026
local terms energy: -83.843719
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -18.253
flat angles C4'-P-C4' energy: -17.581
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -21.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -204.000408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.000408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.000408 (E_RNA)
where:
Base-Base interactions energy: -130.151
where: short stacking energy: -60.059
Base-Backbone interact. energy: -0.029
local terms energy: -73.820358
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -11.918
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -19.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -88.927095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.927095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.927095 (E_RNA)
where:
Base-Base interactions energy: -29.281
where: short stacking energy: -23.710
Base-Backbone interact. energy: -0.423
local terms energy: -59.223409
where:
bonds (distance) C4'-P energy: -17.355
bonds (distance) P-C4' energy: -19.460
flat angles C4'-P-C4' energy: -12.736
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: -1.440
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: 8
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -110.983549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.983549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.983549 (E_RNA)
where:
Base-Base interactions energy: -53.879
where: short stacking energy: -23.593
Base-Backbone interact. energy: 0.064
local terms energy: -57.168147
where:
bonds (distance) C4'-P energy: -11.218
bonds (distance) P-C4' energy: -15.922
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -6.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -75.781136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.781136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.781136 (E_RNA)
where:
Base-Base interactions energy: -21.129
where: short stacking energy: -21.005
Base-Backbone interact. energy: 0.108
local terms energy: -54.760138
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -12.070
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -3.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -263.875476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.875476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.875476 (E_RNA)
where:
Base-Base interactions energy: -172.144
where: short stacking energy: -84.666
Base-Backbone interact. energy: -0.003
local terms energy: -91.728642
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -18.762
flat angles C4'-P-C4' energy: -16.751
flat angles P-C4'-P energy: -16.820
tors. eta vs tors. theta energy: -25.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -260.919507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.919507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.919507 (E_RNA)
where:
Base-Base interactions energy: -178.772
where: short stacking energy: -85.734
Base-Backbone interact. energy: 0.657
local terms energy: -82.804058
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -14.917
tors. eta vs tors. theta energy: -26.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -257.170159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.170159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.170159 (E_RNA)
where:
Base-Base interactions energy: -173.037
where: short stacking energy: -78.046
Base-Backbone interact. energy: -0.086
local terms energy: -84.047710
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -17.988
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -12.017
tors. eta vs tors. theta energy: -26.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -252.569563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.569563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.569563 (E_RNA)
where:
Base-Base interactions energy: -160.948
where: short stacking energy: -69.786
Base-Backbone interact. energy: -0.191
local terms energy: -91.430787
where:
bonds (distance) C4'-P energy: -17.716
bonds (distance) P-C4' energy: -21.339
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -24.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -239.571782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.571782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.571782 (E_RNA)
where:
Base-Base interactions energy: -151.987
where: short stacking energy: -66.151
Base-Backbone interact. energy: -0.027
local terms energy: -87.557826
where:
bonds (distance) C4'-P energy: -17.481
bonds (distance) P-C4' energy: -19.260
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -21.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -227.460876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.460876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.460876 (E_RNA)
where:
Base-Base interactions energy: -144.504
where: short stacking energy: -71.320
Base-Backbone interact. energy: -0.117
local terms energy: -82.839095
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -18.370
flat angles P-C4'-P energy: -10.774
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: 7, replica: 9
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -202.165576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.165576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.165576 (E_RNA)
where:
Base-Base interactions energy: -131.509
where: short stacking energy: -62.267
Base-Backbone interact. energy: -0.420
local terms energy: -70.236121
where:
bonds (distance) C4'-P energy: -10.563
bonds (distance) P-C4' energy: -15.031
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -17.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -92.547968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.547968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.547968 (E_RNA)
where:
Base-Base interactions energy: -34.184
where: short stacking energy: -32.520
Base-Backbone interact. energy: 1.575
local terms energy: -59.939758
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -9.436
tors. eta vs tors. theta energy: -1.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -98.253670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.253670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.253670 (E_RNA)
where:
Base-Base interactions energy: -48.802
where: short stacking energy: -21.009
Base-Backbone interact. energy: 0.622
local terms energy: -50.073771
where:
bonds (distance) C4'-P energy: -12.048
bonds (distance) P-C4' energy: -18.101
flat angles C4'-P-C4' energy: -12.985
flat angles P-C4'-P energy: -7.088
tors. eta vs tors. theta energy: 0.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -108.345918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.345918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.345918 (E_RNA)
where:
Base-Base interactions energy: -57.196
where: short stacking energy: -27.115
Base-Backbone interact. energy: -0.035
local terms energy: -51.115427
where:
bonds (distance) C4'-P energy: -10.689
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -7.619
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: 1, replica: 2
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -265.728854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.728854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.728854 (E_RNA)
where:
Base-Base interactions energy: -177.304
where: short stacking energy: -81.759
Base-Backbone interact. energy: -0.111
local terms energy: -88.313140
where:
bonds (distance) C4'-P energy: -17.501
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -17.590
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: -26.867
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: 5
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -255.088816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.088816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.088816 (E_RNA)
where:
Base-Base interactions energy: -171.390
where: short stacking energy: -83.351
Base-Backbone interact. energy: -0.056
local terms energy: -83.643192
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -18.999
flat angles C4'-P-C4' energy: -17.447
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -25.732
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: 6
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -248.226116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.226116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.226116 (E_RNA)
where:
Base-Base interactions energy: -159.931
where: short stacking energy: -74.876
Base-Backbone interact. energy: -0.587
local terms energy: -87.707750
where:
bonds (distance) C4'-P energy: -18.935
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -18.851
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -19.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -254.158414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.158414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.158414 (E_RNA)
where:
Base-Base interactions energy: -170.301
where: short stacking energy: -79.750
Base-Backbone interact. energy: -0.045
local terms energy: -83.812192
where:
bonds (distance) C4'-P energy: -18.036
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -19.729
flat angles P-C4'-P energy: -2.794
tors. eta vs tors. theta energy: -27.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -233.721364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.721364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.721364 (E_RNA)
where:
Base-Base interactions energy: -151.156
where: short stacking energy: -64.657
Base-Backbone interact. energy: -1.311
local terms energy: -81.254618
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -13.905
tors. eta vs tors. theta energy: -21.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -227.036874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.036874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.036874 (E_RNA)
where:
Base-Base interactions energy: -138.411
where: short stacking energy: -62.949
Base-Backbone interact. energy: -1.012
local terms energy: -87.614460
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -17.120
flat angles C4'-P-C4' energy: -17.799
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -22.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -231.702618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.702618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.702618 (E_RNA)
where:
Base-Base interactions energy: -154.056
where: short stacking energy: -58.799
Base-Backbone interact. energy: -0.057
local terms energy: -77.589302
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -17.134
flat angles P-C4'-P energy: -13.519
tors. eta vs tors. theta energy: -18.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -112.384457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.384457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.384457 (E_RNA)
where:
Base-Base interactions energy: -54.790
where: short stacking energy: -28.184
Base-Backbone interact. energy: 0.302
local terms energy: -57.896786
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -16.746
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -1.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -85.538070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.538070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.538070 (E_RNA)
where:
Base-Base interactions energy: -31.149
where: short stacking energy: -31.149
Base-Backbone interact. energy: -0.301
local terms energy: -54.088068
where:
bonds (distance) C4'-P energy: -10.999
bonds (distance) P-C4' energy: -13.161
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -6.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -78.367276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.367276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.367276 (E_RNA)
where:
Base-Base interactions energy: -33.687
where: short stacking energy: -22.668
Base-Backbone interact. energy: -0.274
local terms energy: -44.406533
where:
bonds (distance) C4'-P energy: -9.610
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -6.609
flat angles P-C4'-P energy: -13.034
tors. eta vs tors. theta energy: -2.913
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: 1, replica: 5
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -262.541858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.541858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.541858 (E_RNA)
where:
Base-Base interactions energy: -172.966
where: short stacking energy: -79.458
Base-Backbone interact. energy: -0.305
local terms energy: -89.271035
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -17.763
flat angles C4'-P-C4' energy: -18.514
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -25.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -250.393016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.393016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.393016 (E_RNA)
where:
Base-Base interactions energy: -162.664
where: short stacking energy: -79.956
Base-Backbone interact. energy: -0.264
local terms energy: -87.465505
where:
bonds (distance) C4'-P energy: -18.607
bonds (distance) P-C4' energy: -19.582
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -24.011
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: 10
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -258.360146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.360146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.360146 (E_RNA)
where:
Base-Base interactions energy: -164.419
where: short stacking energy: -79.219
Base-Backbone interact. energy: -0.005
local terms energy: -93.935877
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -19.317
flat angles C4'-P-C4' energy: -20.528
flat angles P-C4'-P energy: -12.570
tors. eta vs tors. theta energy: -26.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -238.254683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.254683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.254683 (E_RNA)
where:
Base-Base interactions energy: -149.198
where: short stacking energy: -64.678
Base-Backbone interact. energy: -0.065
local terms energy: -88.992363
where:
bonds (distance) C4'-P energy: -16.037
bonds (distance) P-C4' energy: -19.557
flat angles C4'-P-C4' energy: -17.343
flat angles P-C4'-P energy: -13.951
tors. eta vs tors. theta energy: -22.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -250.417725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.417725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.417725 (E_RNA)
where:
Base-Base interactions energy: -167.375
where: short stacking energy: -78.855
Base-Backbone interact. energy: -0.119
local terms energy: -82.923433
where:
bonds (distance) C4'-P energy: -12.769
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -16.104
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -26.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -226.418277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.418277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.418277 (E_RNA)
where:
Base-Base interactions energy: -155.565
where: short stacking energy: -70.166
Base-Backbone interact. energy: -0.207
local terms energy: -70.646559
where:
bonds (distance) C4'-P energy: -10.331
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -20.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -224.643971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.643971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.643971 (E_RNA)
where:
Base-Base interactions energy: -139.315
where: short stacking energy: -56.423
Base-Backbone interact. energy: -0.088
local terms energy: -85.240691
where:
bonds (distance) C4'-P energy: -18.429
bonds (distance) P-C4' energy: -18.541
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -12.834
tors. eta vs tors. theta energy: -19.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -104.361377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.361377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.361377 (E_RNA)
where:
Base-Base interactions energy: -54.696
where: short stacking energy: -30.118
Base-Backbone interact. energy: -0.133
local terms energy: -49.532168
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -9.938
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -5.268
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: 8
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -90.078866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.078866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.078866 (E_RNA)
where:
Base-Base interactions energy: -39.092
where: short stacking energy: -36.903
Base-Backbone interact. energy: -0.757
local terms energy: -50.229297
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -10.236
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -1.351
tors. eta vs tors. theta energy: -6.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -84.786145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.786145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.786145 (E_RNA)
where:
Base-Base interactions energy: -31.023
where: short stacking energy: -28.180
Base-Backbone interact. energy: -0.023
local terms energy: -53.739767
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -2.748
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: 1, replica: 5
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -267.182419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.182419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.182419 (E_RNA)
where:
Base-Base interactions energy: -178.057
where: short stacking energy: -81.276
Base-Backbone interact. energy: 0.156
local terms energy: -89.281875
where:
bonds (distance) C4'-P energy: -14.572
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -19.216
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -28.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -258.808103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.808103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.808103 (E_RNA)
where:
Base-Base interactions energy: -175.072
where: short stacking energy: -85.478
Base-Backbone interact. energy: -0.592
local terms energy: -83.144197
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -14.267
flat angles C4'-P-C4' energy: -16.909
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -24.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -264.078849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.078849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.078849 (E_RNA)
where:
Base-Base interactions energy: -169.595
where: short stacking energy: -81.690
Base-Backbone interact. energy: -0.031
local terms energy: -94.453071
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -20.243
flat angles C4'-P-C4' energy: -18.261
flat angles P-C4'-P energy: -16.212
tors. eta vs tors. theta energy: -23.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -253.251118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.251118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.251118 (E_RNA)
where:
Base-Base interactions energy: -162.684
where: short stacking energy: -73.048
Base-Backbone interact. energy: -0.588
local terms energy: -89.978973
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -19.364
flat angles P-C4'-P energy: -13.548
tors. eta vs tors. theta energy: -25.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -256.358413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.358413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.358413 (E_RNA)
where:
Base-Base interactions energy: -166.347
where: short stacking energy: -78.954
Base-Backbone interact. energy: -0.019
local terms energy: -89.993033
where:
bonds (distance) C4'-P energy: -16.956
bonds (distance) P-C4' energy: -15.859
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -27.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -234.770747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.770747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.770747 (E_RNA)
where:
Base-Base interactions energy: -158.255
where: short stacking energy: -75.957
Base-Backbone interact. energy: -0.087
local terms energy: -76.428503
where:
bonds (distance) C4'-P energy: -15.409
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -16.065
flat angles P-C4'-P energy: -8.069
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: 7, replica: 1
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -234.948945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.948945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.948945 (E_RNA)
where:
Base-Base interactions energy: -162.313
where: short stacking energy: -82.158
Base-Backbone interact. energy: -0.101
local terms energy: -72.534301
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -11.708
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -7.233
tors. eta vs tors. theta energy: -24.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -96.544706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.544706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.544706 (E_RNA)
where:
Base-Base interactions energy: -38.150
where: short stacking energy: -38.150
Base-Backbone interact. energy: -0.141
local terms energy: -58.253275
where:
bonds (distance) C4'-P energy: -16.745
bonds (distance) P-C4' energy: -19.184
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -6.128
tors. eta vs tors. theta energy: -2.372
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: 425
Temperature: 1.300000
Total energy: -85.434133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.434133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.434133 (E_RNA)
where:
Base-Base interactions energy: -27.403
where: short stacking energy: -21.592
Base-Backbone interact. energy: -0.364
local terms energy: -57.667317
where:
bonds (distance) C4'-P energy: -12.291
bonds (distance) P-C4' energy: -18.214
flat angles C4'-P-C4' energy: -18.348
flat angles P-C4'-P energy: -8.821
tors. eta vs tors. theta energy: 0.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -77.545117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.545117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.545117 (E_RNA)
where:
Base-Base interactions energy: -24.843
where: short stacking energy: -15.220
Base-Backbone interact. energy: -0.495
local terms energy: -52.206897
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -20.849
flat angles C4'-P-C4' energy: -11.841
flat angles P-C4'-P energy: -7.380
tors. eta vs tors. theta energy: 4.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -268.389177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.389177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.389177 (E_RNA)
where:
Base-Base interactions energy: -170.671
where: short stacking energy: -89.592
Base-Backbone interact. energy: -0.054
local terms energy: -97.664190
where:
bonds (distance) C4'-P energy: -18.757
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -19.035
flat angles P-C4'-P energy: -16.237
tors. eta vs tors. theta energy: -25.653
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: 10
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -259.579847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.579847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.579847 (E_RNA)
where:
Base-Base interactions energy: -168.729
where: short stacking energy: -83.917
Base-Backbone interact. energy: -0.023
local terms energy: -90.827238
where:
bonds (distance) C4'-P energy: -17.639
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -18.637
flat angles P-C4'-P energy: -12.113
tors. eta vs tors. theta energy: -24.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -239.336683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.336683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.336683 (E_RNA)
where:
Base-Base interactions energy: -156.445
where: short stacking energy: -71.023
Base-Backbone interact. energy: -0.021
local terms energy: -82.871150
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -13.620
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -23.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -253.867782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.867782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.867782 (E_RNA)
where:
Base-Base interactions energy: -164.463
where: short stacking energy: -78.861
Base-Backbone interact. energy: -0.274
local terms energy: -89.130280
where:
bonds (distance) C4'-P energy: -17.540
bonds (distance) P-C4' energy: -12.701
flat angles C4'-P-C4' energy: -18.812
flat angles P-C4'-P energy: -14.602
tors. eta vs tors. theta energy: -25.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -243.263642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.263642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.263642 (E_RNA)
where:
Base-Base interactions energy: -161.458
where: short stacking energy: -73.864
Base-Backbone interact. energy: -0.101
local terms energy: -81.704812
where:
bonds (distance) C4'-P energy: -16.130
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -18.797
flat angles P-C4'-P energy: -7.825
tors. eta vs tors. theta energy: -24.607
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: 6
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -234.999868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.999868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.999868 (E_RNA)
where:
Base-Base interactions energy: -150.606
where: short stacking energy: -68.216
Base-Backbone interact. energy: -0.124
local terms energy: -84.269874
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -15.351
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -9.524
tors. eta vs tors. theta energy: -26.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -223.896802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.896802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.896802 (E_RNA)
where:
Base-Base interactions energy: -154.891
where: short stacking energy: -70.102
Base-Backbone interact. energy: -0.095
local terms energy: -68.911569
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -10.457
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -7.863
tors. eta vs tors. theta energy: -22.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -90.353036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.353036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.353036 (E_RNA)
where:
Base-Base interactions energy: -35.065
where: short stacking energy: -35.065
Base-Backbone interact. energy: -0.541
local terms energy: -54.747607
where:
bonds (distance) C4'-P energy: -9.743
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -16.798
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -4.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -113.640369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.640369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.640369 (E_RNA)
where:
Base-Base interactions energy: -57.121
where: short stacking energy: -42.255
Base-Backbone interact. energy: -0.076
local terms energy: -56.442673
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -16.931
flat angles P-C4'-P energy: -6.886
tors. eta vs tors. theta energy: -5.531
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: 7
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -82.881426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.881426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.881426 (E_RNA)
where:
Base-Base interactions energy: -35.152
where: short stacking energy: -22.403
Base-Backbone interact. energy: 1.180
local terms energy: -48.908726
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -11.338
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -6.958
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: 1, replica: 5
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -262.430270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.430270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.430270 (E_RNA)
where:
Base-Base interactions energy: -166.844
where: short stacking energy: -81.404
Base-Backbone interact. energy: -0.003
local terms energy: -95.583517
where:
bonds (distance) C4'-P energy: -20.392
bonds (distance) P-C4' energy: -19.288
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -13.769
tors. eta vs tors. theta energy: -27.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -260.728651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.728651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.728651 (E_RNA)
where:
Base-Base interactions energy: -176.377
where: short stacking energy: -88.701
Base-Backbone interact. energy: -0.003
local terms energy: -84.348079
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -19.067
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -26.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -235.596867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.596867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.596867 (E_RNA)
where:
Base-Base interactions energy: -155.881
where: short stacking energy: -65.502
Base-Backbone interact. energy: -0.182
local terms energy: -79.534533
where:
bonds (distance) C4'-P energy: -14.996
bonds (distance) P-C4' energy: -17.594
flat angles C4'-P-C4' energy: -18.665
flat angles P-C4'-P energy: -11.620
tors. eta vs tors. theta energy: -16.660
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: 427
Temperature: 1.050000
Total energy: -254.516008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.516008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.516008 (E_RNA)
where:
Base-Base interactions energy: -168.713
where: short stacking energy: -79.756
Base-Backbone interact. energy: -0.016
local terms energy: -85.787148
where:
bonds (distance) C4'-P energy: -10.276
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -17.942
flat angles P-C4'-P energy: -14.020
tors. eta vs tors. theta energy: -24.941
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: 2
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -238.500672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.500672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.500672 (E_RNA)
where:
Base-Base interactions energy: -156.495
where: short stacking energy: -63.093
Base-Backbone interact. energy: -0.071
local terms energy: -81.934465
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -23.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -219.812179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.812179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.812179 (E_RNA)
where:
Base-Base interactions energy: -149.939
where: short stacking energy: -62.404
Base-Backbone interact. energy: -0.272
local terms energy: -69.600573
where:
bonds (distance) C4'-P energy: -14.994
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -12.816
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: 1
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -204.935663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.935663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.935663 (E_RNA)
where:
Base-Base interactions energy: -131.694
where: short stacking energy: -55.986
Base-Backbone interact. energy: -0.213
local terms energy: -73.029291
where:
bonds (distance) C4'-P energy: -15.236
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -16.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -97.338267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.338267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.338267 (E_RNA)
where:
Base-Base interactions energy: -36.407
where: short stacking energy: -36.407
Base-Backbone interact. energy: -0.037
local terms energy: -60.894809
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -11.860
flat angles P-C4'-P energy: -12.286
tors. eta vs tors. theta energy: -5.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -82.608898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.608898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.608898 (E_RNA)
where:
Base-Base interactions energy: -30.015
where: short stacking energy: -19.776
Base-Backbone interact. energy: -0.250
local terms energy: -52.344503
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -18.016
flat angles C4'-P-C4' energy: -11.288
flat angles P-C4'-P energy: -8.791
tors. eta vs tors. theta energy: 0.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -74.231716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.231716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.231716 (E_RNA)
where:
Base-Base interactions energy: -25.288
where: short stacking energy: -25.288
Base-Backbone interact. energy: -0.243
local terms energy: -48.700860
where:
bonds (distance) C4'-P energy: -11.996
bonds (distance) P-C4' energy: -17.754
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -7.931
tors. eta vs tors. theta energy: 4.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -267.968696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.968696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.968696 (E_RNA)
where:
Base-Base interactions energy: -173.283
where: short stacking energy: -82.782
Base-Backbone interact. energy: -0.036
local terms energy: -94.649065
where:
bonds (distance) C4'-P energy: -16.960
bonds (distance) P-C4' energy: -20.286
flat angles C4'-P-C4' energy: -19.800
flat angles P-C4'-P energy: -12.062
tors. eta vs tors. theta energy: -25.541
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: 5
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -254.258304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.258304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.258304 (E_RNA)
where:
Base-Base interactions energy: -164.660
where: short stacking energy: -85.024
Base-Backbone interact. energy: -0.156
local terms energy: -89.442292
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -19.820
flat angles C4'-P-C4' energy: -20.140
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -23.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -243.027132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.027132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.027132 (E_RNA)
where:
Base-Base interactions energy: -156.773
where: short stacking energy: -76.996
Base-Backbone interact. energy: -0.032
local terms energy: -86.221929
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -20.119
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -25.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -220.937650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.937650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.937650 (E_RNA)
where:
Base-Base interactions energy: -144.343
where: short stacking energy: -64.654
Base-Backbone interact. energy: -0.478
local terms energy: -76.116915
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -17.867
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -12.187
tors. eta vs tors. theta energy: -20.532
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: 6
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -235.024807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.024807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.024807 (E_RNA)
where:
Base-Base interactions energy: -149.170
where: short stacking energy: -75.372
Base-Backbone interact. energy: -0.089
local terms energy: -85.765189
where:
bonds (distance) C4'-P energy: -16.533
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -24.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -219.806251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.806251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.806251 (E_RNA)
where:
Base-Base interactions energy: -138.070
where: short stacking energy: -69.122
Base-Backbone interact. energy: -0.040
local terms energy: -81.695429
where:
bonds (distance) C4'-P energy: -16.911
bonds (distance) P-C4' energy: -15.605
flat angles C4'-P-C4' energy: -20.017
flat angles P-C4'-P energy: -5.802
tors. eta vs tors. theta energy: -23.360
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: 1
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -204.467709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.467709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.467709 (E_RNA)
where:
Base-Base interactions energy: -131.162
where: short stacking energy: -59.454
Base-Backbone interact. energy: -0.510
local terms energy: -72.795158
where:
bonds (distance) C4'-P energy: -16.437
bonds (distance) P-C4' energy: -16.835
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -11.442
tors. eta vs tors. theta energy: -13.673
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: 3
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -98.751417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.751417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.751417 (E_RNA)
where:
Base-Base interactions energy: -40.390
where: short stacking energy: -36.522
Base-Backbone interact. energy: 1.016
local terms energy: -59.377346
where:
bonds (distance) C4'-P energy: -18.500
bonds (distance) P-C4' energy: -18.389
flat angles C4'-P-C4' energy: -10.290
flat angles P-C4'-P energy: -6.929
tors. eta vs tors. theta energy: -5.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -90.738274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.738274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.738274 (E_RNA)
where:
Base-Base interactions energy: -25.568
where: short stacking energy: -24.343
Base-Backbone interact. energy: -0.424
local terms energy: -64.746395
where:
bonds (distance) C4'-P energy: -17.792
bonds (distance) P-C4' energy: -18.610
flat angles C4'-P-C4' energy: -17.248
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -2.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -86.711035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.711035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.711035 (E_RNA)
where:
Base-Base interactions energy: -37.825
where: short stacking energy: -33.775
Base-Backbone interact. energy: -0.055
local terms energy: -48.831019
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -7.597
flat angles P-C4'-P energy: -9.064
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: 1, replica: 10
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -265.963030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.963030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.963030 (E_RNA)
where:
Base-Base interactions energy: -171.602
where: short stacking energy: -77.927
Base-Backbone interact. energy: -0.551
local terms energy: -93.810192
where:
bonds (distance) C4'-P energy: -17.879
bonds (distance) P-C4' energy: -18.666
flat angles C4'-P-C4' energy: -19.390
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -26.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -253.965703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.965703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.965703 (E_RNA)
where:
Base-Base interactions energy: -162.551
where: short stacking energy: -77.085
Base-Backbone interact. energy: -0.017
local terms energy: -91.397558
where:
bonds (distance) C4'-P energy: -17.758
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -13.926
tors. eta vs tors. theta energy: -25.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -233.105861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.105861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.105861 (E_RNA)
where:
Base-Base interactions energy: -146.448
where: short stacking energy: -62.474
Base-Backbone interact. energy: -0.107
local terms energy: -86.550335
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -20.085
flat angles C4'-P-C4' energy: -17.209
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -22.742
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: 9
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -236.270105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.270105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.270105 (E_RNA)
where:
Base-Base interactions energy: -160.010
where: short stacking energy: -67.523
Base-Backbone interact. energy: -0.427
local terms energy: -75.833122
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -21.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -243.214979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.214979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.214979 (E_RNA)
where:
Base-Base interactions energy: -156.603
where: short stacking energy: -72.960
Base-Backbone interact. energy: -0.116
local terms energy: -86.496027
where:
bonds (distance) C4'-P energy: -16.830
bonds (distance) P-C4' energy: -17.031
flat angles C4'-P-C4' energy: -18.774
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: -23.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -203.993941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.993941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.993941 (E_RNA)
where:
Base-Base interactions energy: -122.998
where: short stacking energy: -69.094
Base-Backbone interact. energy: -0.083
local terms energy: -80.912342
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -19.966
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -21.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -215.659987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.659987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.659987 (E_RNA)
where:
Base-Base interactions energy: -133.307
where: short stacking energy: -63.387
Base-Backbone interact. energy: -0.016
local terms energy: -82.337183
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -19.110
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -12.169
tors. eta vs tors. theta energy: -20.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -111.470810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.470810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.470810 (E_RNA)
where:
Base-Base interactions energy: -47.120
where: short stacking energy: -24.862
Base-Backbone interact. energy: 0.675
local terms energy: -65.025472
where:
bonds (distance) C4'-P energy: -19.016
bonds (distance) P-C4' energy: -14.880
flat angles C4'-P-C4' energy: -12.224
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -7.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -84.962158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.962158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.962158 (E_RNA)
where:
Base-Base interactions energy: -26.554
where: short stacking energy: -26.554
Base-Backbone interact. energy: -0.120
local terms energy: -58.288871
where:
bonds (distance) C4'-P energy: -15.694
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -11.888
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -0.858
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: 10, replica: 8
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -80.147131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.147131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.147131 (E_RNA)
where:
Base-Base interactions energy: -26.330
where: short stacking energy: -22.064
Base-Backbone interact. energy: -0.257
local terms energy: -53.559608
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -11.097
flat angles P-C4'-P energy: -11.083
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: 1, replica: 5
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -255.872840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.872840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.872840 (E_RNA)
where:
Base-Base interactions energy: -166.361
where: short stacking energy: -77.221
Base-Backbone interact. energy: -0.099
local terms energy: -89.412490
where:
bonds (distance) C4'-P energy: -16.789
bonds (distance) P-C4' energy: -18.286
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -13.914
tors. eta vs tors. theta energy: -25.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -256.322222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.322222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.322222 (E_RNA)
where:
Base-Base interactions energy: -168.833
where: short stacking energy: -77.483
Base-Backbone interact. energy: -0.107
local terms energy: -87.381560
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -18.455
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -25.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -244.711666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.711666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.711666 (E_RNA)
where:
Base-Base interactions energy: -158.857
where: short stacking energy: -74.204
Base-Backbone interact. energy: -1.571
local terms energy: -84.283145
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -13.626
tors. eta vs tors. theta energy: -23.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -246.640228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.640228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.640228 (E_RNA)
where:
Base-Base interactions energy: -157.411
where: short stacking energy: -80.285
Base-Backbone interact. energy: -0.928
local terms energy: -88.301715
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -13.886
flat angles C4'-P-C4' energy: -18.893
flat angles P-C4'-P energy: -14.766
tors. eta vs tors. theta energy: -24.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -229.712368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.712368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.712368 (E_RNA)
where:
Base-Base interactions energy: -147.701
where: short stacking energy: -72.201
Base-Backbone interact. energy: -0.101
local terms energy: -81.910557
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -17.373
flat angles C4'-P-C4' energy: -17.638
flat angles P-C4'-P energy: -6.589
tors. eta vs tors. theta energy: -23.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -204.101548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.101548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.101548 (E_RNA)
where:
Base-Base interactions energy: -134.175
where: short stacking energy: -58.475
Base-Backbone interact. energy: 0.250
local terms energy: -70.176375
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -10.218
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -13.578
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: 7, replica: 2
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -203.795997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.795997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.795997 (E_RNA)
where:
Base-Base interactions energy: -125.695
where: short stacking energy: -60.708
Base-Backbone interact. energy: -0.091
local terms energy: -78.009852
where:
bonds (distance) C4'-P energy: -17.882
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -10.546
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: 8, replica: 7
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -90.010307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.010307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.010307 (E_RNA)
where:
Base-Base interactions energy: -32.335
where: short stacking energy: -32.335
Base-Backbone interact. energy: -0.062
local terms energy: -57.613164
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -7.253
tors. eta vs tors. theta energy: -5.903
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: 8
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -84.341384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.341384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.341384 (E_RNA)
where:
Base-Base interactions energy: -32.279
where: short stacking energy: -32.279
Base-Backbone interact. energy: 2.321
local terms energy: -54.383882
where:
bonds (distance) C4'-P energy: -16.702
bonds (distance) P-C4' energy: -11.290
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -11.216
tors. eta vs tors. theta energy: -3.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -78.674885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.674885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.674885 (E_RNA)
where:
Base-Base interactions energy: -31.400
where: short stacking energy: -31.400
Base-Backbone interact. energy: 0.598
local terms energy: -47.873353
where:
bonds (distance) C4'-P energy: -12.104
bonds (distance) P-C4' energy: -16.493
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -1.863
tors. eta vs tors. theta energy: -3.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -265.377950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.377950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.377950 (E_RNA)
where:
Base-Base interactions energy: -171.453
where: short stacking energy: -83.398
Base-Backbone interact. energy: -0.044
local terms energy: -93.881492
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -17.381
flat angles C4'-P-C4' energy: -18.714
flat angles P-C4'-P energy: -13.309
tors. eta vs tors. theta energy: -28.507
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: 9
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -254.503464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.503464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.503464 (E_RNA)
where:
Base-Base interactions energy: -170.688
where: short stacking energy: -76.523
Base-Backbone interact. energy: -0.012
local terms energy: -83.803062
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -15.422
flat angles C4'-P-C4' energy: -17.056
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -25.520
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: 3, replica: 10
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -253.311309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.311309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.311309 (E_RNA)
where:
Base-Base interactions energy: -168.538
where: short stacking energy: -77.014
Base-Backbone interact. energy: -0.011
local terms energy: -84.762617
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -19.047
flat angles P-C4'-P energy: -12.301
tors. eta vs tors. theta energy: -24.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -246.879246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.879246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.879246 (E_RNA)
where:
Base-Base interactions energy: -158.587
where: short stacking energy: -76.618
Base-Backbone interact. energy: -0.008
local terms energy: -88.283935
where:
bonds (distance) C4'-P energy: -11.101
bonds (distance) P-C4' energy: -19.399
flat angles C4'-P-C4' energy: -18.360
flat angles P-C4'-P energy: -14.207
tors. eta vs tors. theta energy: -25.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -250.959761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.959761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.959761 (E_RNA)
where:
Base-Base interactions energy: -164.404
where: short stacking energy: -77.862
Base-Backbone interact. energy: -0.065
local terms energy: -86.490772
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -17.854
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -11.972
tors. eta vs tors. theta energy: -26.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -212.473237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.473237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.473237 (E_RNA)
where:
Base-Base interactions energy: -133.173
where: short stacking energy: -56.054
Base-Backbone interact. energy: 0.280
local terms energy: -79.580094
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -19.630
flat angles P-C4'-P energy: -12.597
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: 7, replica: 1
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -207.384583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.384583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.384583 (E_RNA)
where:
Base-Base interactions energy: -125.102
where: short stacking energy: -53.933
Base-Backbone interact. energy: -0.145
local terms energy: -82.137013
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -20.739
flat angles P-C4'-P energy: -8.406
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: 8, replica: 8
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -93.285648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.285648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.285648 (E_RNA)
where:
Base-Base interactions energy: -37.440
where: short stacking energy: -34.448
Base-Backbone interact. energy: -0.037
local terms energy: -55.808628
where:
bonds (distance) C4'-P energy: -7.242
bonds (distance) P-C4' energy: -20.352
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -8.863
tors. eta vs tors. theta energy: -7.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -92.306171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.306171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.306171 (E_RNA)
where:
Base-Base interactions energy: -36.270
where: short stacking energy: -34.940
Base-Backbone interact. energy: 0.587
local terms energy: -56.623241
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -11.971
flat angles C4'-P-C4' energy: -11.524
flat angles P-C4'-P energy: -8.361
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: 10, replica: 3
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -79.879822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.879822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.879822 (E_RNA)
where:
Base-Base interactions energy: -24.222
where: short stacking energy: -24.222
Base-Backbone interact. energy: -0.446
local terms energy: -55.211956
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -14.774
tors. eta vs tors. theta energy: 2.528
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: 9
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -264.739579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.739579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.739579 (E_RNA)
where:
Base-Base interactions energy: -177.400
where: short stacking energy: -82.775
Base-Backbone interact. energy: 0.125
local terms energy: -87.464081
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -18.946
flat angles P-C4'-P energy: -14.881
tors. eta vs tors. theta energy: -25.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -248.448540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.448540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.448540 (E_RNA)
where:
Base-Base interactions energy: -159.007
where: short stacking energy: -76.476
Base-Backbone interact. energy: -0.672
local terms energy: -88.769349
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -17.325
flat angles C4'-P-C4' energy: -17.921
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: -23.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -252.651246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.651246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.651246 (E_RNA)
where:
Base-Base interactions energy: -165.076
where: short stacking energy: -78.913
Base-Backbone interact. energy: -0.020
local terms energy: -87.554815
where:
bonds (distance) C4'-P energy: -16.301
bonds (distance) P-C4' energy: -19.585
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -25.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -260.417061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.417061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.417061 (E_RNA)
where:
Base-Base interactions energy: -169.244
where: short stacking energy: -77.966
Base-Backbone interact. energy: -0.250
local terms energy: -90.922533
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -18.747
flat angles P-C4'-P energy: -14.799
tors. eta vs tors. theta energy: -25.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -229.799422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.799422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.799422 (E_RNA)
where:
Base-Base interactions energy: -148.557
where: short stacking energy: -70.005
Base-Backbone interact. energy: -0.139
local terms energy: -81.103223
where:
bonds (distance) C4'-P energy: -17.894
bonds (distance) P-C4' energy: -9.639
flat angles C4'-P-C4' energy: -18.202
flat angles P-C4'-P energy: -15.313
tors. eta vs tors. theta energy: -20.056
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: 6, replica: 6
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -238.783149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.783149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.783149 (E_RNA)
where:
Base-Base interactions energy: -157.390
where: short stacking energy: -74.675
Base-Backbone interact. energy: -0.020
local terms energy: -81.373592
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -17.194
flat angles P-C4'-P energy: -8.637
tors. eta vs tors. theta energy: -25.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -217.315319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.315319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.315319 (E_RNA)
where:
Base-Base interactions energy: -144.473
where: short stacking energy: -61.832
Base-Backbone interact. energy: -0.014
local terms energy: -72.828683
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -15.249
flat angles C4'-P-C4' energy: -11.907
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: -18.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -99.259785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.259785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.259785 (E_RNA)
where:
Base-Base interactions energy: -36.444
where: short stacking energy: -34.683
Base-Backbone interact. energy: -0.230
local terms energy: -62.585578
where:
bonds (distance) C4'-P energy: -11.128
bonds (distance) P-C4' energy: -17.430
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: -5.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -106.129749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.129749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.129749 (E_RNA)
where:
Base-Base interactions energy: -38.125
where: short stacking energy: -35.813
Base-Backbone interact. energy: -1.180
local terms energy: -66.825204
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -19.005
flat angles C4'-P-C4' energy: -11.382
flat angles P-C4'-P energy: -14.385
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: 10, replica: 7
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -84.677632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.677632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.677632 (E_RNA)
where:
Base-Base interactions energy: -32.244
where: short stacking energy: -27.775
Base-Backbone interact. energy: -0.017
local terms energy: -52.415772
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -8.276
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -2.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -265.267295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.267295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.267295 (E_RNA)
where:
Base-Base interactions energy: -174.274
where: short stacking energy: -83.637
Base-Backbone interact. energy: -0.017
local terms energy: -90.976440
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -16.091
flat angles P-C4'-P energy: -15.027
tors. eta vs tors. theta energy: -25.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -251.427568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.427568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.427568 (E_RNA)
where:
Base-Base interactions energy: -155.165
where: short stacking energy: -84.031
Base-Backbone interact. energy: -0.005
local terms energy: -96.257272
where:
bonds (distance) C4'-P energy: -17.940
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -19.169
flat angles P-C4'-P energy: -16.409
tors. eta vs tors. theta energy: -26.957
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: 5
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -252.699317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.699317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.699317 (E_RNA)
where:
Base-Base interactions energy: -167.458
where: short stacking energy: -78.319
Base-Backbone interact. energy: -0.065
local terms energy: -85.175980
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -18.472
flat angles C4'-P-C4' energy: -17.047
flat angles P-C4'-P energy: -13.124
tors. eta vs tors. theta energy: -21.784
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: 10
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -235.432878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.432878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.432878 (E_RNA)
where:
Base-Base interactions energy: -151.159
where: short stacking energy: -67.293
Base-Backbone interact. energy: -0.004
local terms energy: -84.270357
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -19.359
flat angles C4'-P-C4' energy: -19.729
flat angles P-C4'-P energy: -10.743
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: 5, replica: 2
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -245.346708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.346708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.346708 (E_RNA)
where:
Base-Base interactions energy: -163.550
where: short stacking energy: -75.142
Base-Backbone interact. energy: -0.083
local terms energy: -81.713635
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -18.432
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -21.093
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: 1
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -241.646485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.646485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.646485 (E_RNA)
where:
Base-Base interactions energy: -157.140
where: short stacking energy: -69.296
Base-Backbone interact. energy: -0.000
local terms energy: -84.506557
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -17.046
flat angles C4'-P-C4' energy: -16.915
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -22.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -214.959624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.959624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.959624 (E_RNA)
where:
Base-Base interactions energy: -147.007
where: short stacking energy: -57.706
Base-Backbone interact. energy: -0.131
local terms energy: -67.821455
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -18.331
flat angles P-C4'-P energy: -6.128
tors. eta vs tors. theta energy: -15.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -94.061349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.061349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.061349 (E_RNA)
where:
Base-Base interactions energy: -36.052
where: short stacking energy: -28.964
Base-Backbone interact. energy: 1.266
local terms energy: -59.275393
where:
bonds (distance) C4'-P energy: -11.076
bonds (distance) P-C4' energy: -20.859
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -12.209
tors. eta vs tors. theta energy: 0.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -83.080176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.080176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.080176 (E_RNA)
where:
Base-Base interactions energy: -34.554
where: short stacking energy: -34.554
Base-Backbone interact. energy: -0.204
local terms energy: -48.322682
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -16.281
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -4.466
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: 10, replica: 7
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -85.482721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.482721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.482721 (E_RNA)
where:
Base-Base interactions energy: -36.360
where: short stacking energy: -30.456
Base-Backbone interact. energy: -0.259
local terms energy: -48.863635
where:
bonds (distance) C4'-P energy: -17.232
bonds (distance) P-C4' energy: -11.761
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -1.862
tors. eta vs tors. theta energy: -2.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -267.477629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.477629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.477629 (E_RNA)
where:
Base-Base interactions energy: -169.543
where: short stacking energy: -88.882
Base-Backbone interact. energy: -0.301
local terms energy: -97.633196
where:
bonds (distance) C4'-P energy: -18.778
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -19.085
flat angles P-C4'-P energy: -14.586
tors. eta vs tors. theta energy: -27.228
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: 9
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -257.860702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.860702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.860702 (E_RNA)
where:
Base-Base interactions energy: -166.917
where: short stacking energy: -82.190
Base-Backbone interact. energy: -0.008
local terms energy: -90.936216
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -16.729
flat angles C4'-P-C4' energy: -18.388
flat angles P-C4'-P energy: -13.688
tors. eta vs tors. theta energy: -25.487
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: 10
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -222.998249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.998249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.998249 (E_RNA)
where:
Base-Base interactions energy: -150.293
where: short stacking energy: -73.896
Base-Backbone interact. energy: -0.040
local terms energy: -72.665250
where:
bonds (distance) C4'-P energy: -12.469
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -18.696
flat angles P-C4'-P energy: -9.585
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: 4, replica: 5
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -257.122118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.122118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.122118 (E_RNA)
where:
Base-Base interactions energy: -164.755
where: short stacking energy: -81.318
Base-Backbone interact. energy: -0.212
local terms energy: -92.155062
where:
bonds (distance) C4'-P energy: -19.378
bonds (distance) P-C4' energy: -19.184
flat angles C4'-P-C4' energy: -18.795
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -24.234
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: 1
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -234.328426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.328426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.328426 (E_RNA)
where:
Base-Base interactions energy: -150.380
where: short stacking energy: -72.955
Base-Backbone interact. energy: -0.064
local terms energy: -83.884981
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -15.828
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -13.290
tors. eta vs tors. theta energy: -23.429
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: 2
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -239.969250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.969250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.969250 (E_RNA)
where:
Base-Base interactions energy: -156.027
where: short stacking energy: -69.102
Base-Backbone interact. energy: 0.247
local terms energy: -84.188548
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -18.957
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -23.905
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: 7, replica: 6
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -217.409587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.409587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.409587 (E_RNA)
where:
Base-Base interactions energy: -132.586
where: short stacking energy: -61.671
Base-Backbone interact. energy: -0.100
local terms energy: -84.723606
where:
bonds (distance) C4'-P energy: -18.082
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -18.957
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -21.682
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: 8, replica: 3
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -112.431237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.431237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.431237 (E_RNA)
where:
Base-Base interactions energy: -57.386
where: short stacking energy: -32.279
Base-Backbone interact. energy: -0.139
local terms energy: -54.905882
where:
bonds (distance) C4'-P energy: -7.934
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -9.541
tors. eta vs tors. theta energy: -8.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -86.348525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.348525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.348525 (E_RNA)
where:
Base-Base interactions energy: -32.237
where: short stacking energy: -29.719
Base-Backbone interact. energy: -0.111
local terms energy: -54.000374
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -9.795
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: 10, replica: 8
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -86.296724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.296724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.296724 (E_RNA)
where:
Base-Base interactions energy: -30.290
where: short stacking energy: -24.387
Base-Backbone interact. energy: -0.416
local terms energy: -55.590561
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -18.449
flat angles C4'-P-C4' energy: -11.629
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -0.394
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: 435
Temperature: 0.900000
Total energy: -267.144701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.144701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.144701 (E_RNA)
where:
Base-Base interactions energy: -175.040
where: short stacking energy: -85.885
Base-Backbone interact. energy: -1.100
local terms energy: -91.004218
where:
bonds (distance) C4'-P energy: -18.753
bonds (distance) P-C4' energy: -13.658
flat angles C4'-P-C4' energy: -19.758
flat angles P-C4'-P energy: -10.716
tors. eta vs tors. theta energy: -28.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -264.967177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.967177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.967177 (E_RNA)
where:
Base-Base interactions energy: -176.278
where: short stacking energy: -90.118
Base-Backbone interact. energy: -0.963
local terms energy: -87.726584
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -17.398
flat angles C4'-P-C4' energy: -20.674
flat angles P-C4'-P energy: -6.086
tors. eta vs tors. theta energy: -28.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -227.201774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.201774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.201774 (E_RNA)
where:
Base-Base interactions energy: -147.150
where: short stacking energy: -66.833
Base-Backbone interact. energy: -0.007
local terms energy: -80.045371
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -16.889
flat angles P-C4'-P energy: -11.679
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: 4, replica: 5
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -246.478037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.478037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.478037 (E_RNA)
where:
Base-Base interactions energy: -160.572
where: short stacking energy: -75.737
Base-Backbone interact. energy: -0.002
local terms energy: -85.903557
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -14.602
flat angles C4'-P-C4' energy: -17.507
flat angles P-C4'-P energy: -13.265
tors. eta vs tors. theta energy: -25.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -223.717286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.717286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.717286 (E_RNA)
where:
Base-Base interactions energy: -148.258
where: short stacking energy: -65.820
Base-Backbone interact. energy: -0.021
local terms energy: -75.437507
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -18.407
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -17.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -228.158067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.158067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.158067 (E_RNA)
where:
Base-Base interactions energy: -150.007
where: short stacking energy: -73.542
Base-Backbone interact. energy: -0.074
local terms energy: -78.077123
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -13.759
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: -25.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -235.333895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.333895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.333895 (E_RNA)
where:
Base-Base interactions energy: -156.484
where: short stacking energy: -65.736
Base-Backbone interact. energy: -0.730
local terms energy: -78.120222
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -22.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -123.772100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.772100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.772100 (E_RNA)
where:
Base-Base interactions energy: -70.051
where: short stacking energy: -40.076
Base-Backbone interact. energy: 3.533
local terms energy: -57.254654
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -10.813
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -6.808
tors. eta vs tors. theta energy: -5.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -92.056976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.056976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.056976 (E_RNA)
where:
Base-Base interactions energy: -35.745
where: short stacking energy: -22.117
Base-Backbone interact. energy: -0.179
local terms energy: -56.133279
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: 3.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -81.307887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.307887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.307887 (E_RNA)
where:
Base-Base interactions energy: -25.409
where: short stacking energy: -20.634
Base-Backbone interact. energy: -0.200
local terms energy: -55.698925
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -12.891
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: 1.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -266.118881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.118881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.118881 (E_RNA)
where:
Base-Base interactions energy: -171.262
where: short stacking energy: -88.482
Base-Backbone interact. energy: -0.001
local terms energy: -94.855179
where:
bonds (distance) C4'-P energy: -18.293
bonds (distance) P-C4' energy: -20.157
flat angles C4'-P-C4' energy: -16.286
flat angles P-C4'-P energy: -14.628
tors. eta vs tors. theta energy: -25.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -256.089562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.089562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.089562 (E_RNA)
where:
Base-Base interactions energy: -169.887
where: short stacking energy: -77.847
Base-Backbone interact. energy: -0.005
local terms energy: -86.197044
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -17.218
flat angles P-C4'-P energy: -14.748
tors. eta vs tors. theta energy: -24.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -255.407940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.407940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.407940 (E_RNA)
where:
Base-Base interactions energy: -166.034
where: short stacking energy: -81.219
Base-Backbone interact. energy: -0.102
local terms energy: -89.271810
where:
bonds (distance) C4'-P energy: -16.914
bonds (distance) P-C4' energy: -16.613
flat angles C4'-P-C4' energy: -16.128
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -27.035
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: 10
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -223.367749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.367749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.367749 (E_RNA)
where:
Base-Base interactions energy: -140.104
where: short stacking energy: -69.541
Base-Backbone interact. energy: -0.104
local terms energy: -83.159741
where:
bonds (distance) C4'-P energy: -12.341
bonds (distance) P-C4' energy: -14.785
flat angles C4'-P-C4' energy: -19.618
flat angles P-C4'-P energy: -15.952
tors. eta vs tors. theta energy: -20.463
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: 5, replica: 1
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -243.579926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.579926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.579926 (E_RNA)
where:
Base-Base interactions energy: -158.989
where: short stacking energy: -74.978
Base-Backbone interact. energy: -0.042
local terms energy: -84.549677
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -27.244
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: 6
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -206.072899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.072899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.072899 (E_RNA)
where:
Base-Base interactions energy: -132.848
where: short stacking energy: -58.692
Base-Backbone interact. energy: -0.756
local terms energy: -72.468945
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -18.852
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -9.719
tors. eta vs tors. theta energy: -14.961
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: 2
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -199.926048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.926048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.926048 (E_RNA)
where:
Base-Base interactions energy: -125.257
where: short stacking energy: -55.515
Base-Backbone interact. energy: 0.385
local terms energy: -75.053573
where:
bonds (distance) C4'-P energy: -20.569
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -17.004
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -13.230
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: 3
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -92.070078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.070078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.070078 (E_RNA)
where:
Base-Base interactions energy: -29.145
where: short stacking energy: -29.145
Base-Backbone interact. energy: -0.048
local terms energy: -62.876970
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -6.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -85.822586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.822586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.822586 (E_RNA)
where:
Base-Base interactions energy: -29.519
where: short stacking energy: -29.519
Base-Backbone interact. energy: -0.112
local terms energy: -56.191319
where:
bonds (distance) C4'-P energy: -18.719
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -3.924
tors. eta vs tors. theta energy: -2.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -84.044045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.044045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.044045 (E_RNA)
where:
Base-Base interactions energy: -24.133
where: short stacking energy: -20.364
Base-Backbone interact. energy: -0.158
local terms energy: -59.752671
where:
bonds (distance) C4'-P energy: -11.160
bonds (distance) P-C4' energy: -16.197
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -15.383
tors. eta vs tors. theta energy: -3.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -259.527750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.527750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.527750 (E_RNA)
where:
Base-Base interactions energy: -178.489
where: short stacking energy: -86.583
Base-Backbone interact. energy: -0.009
local terms energy: -81.030014
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -16.285
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: -25.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -248.289203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.289203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.289203 (E_RNA)
where:
Base-Base interactions energy: -165.608
where: short stacking energy: -67.632
Base-Backbone interact. energy: -0.222
local terms energy: -82.459276
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -11.568
flat angles C4'-P-C4' energy: -18.834
flat angles P-C4'-P energy: -13.498
tors. eta vs tors. theta energy: -20.922
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: 3, replica: 5
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -258.375241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.375241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.375241 (E_RNA)
where:
Base-Base interactions energy: -165.101
where: short stacking energy: -79.970
Base-Backbone interact. energy: -0.014
local terms energy: -93.260262
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -19.608
flat angles P-C4'-P energy: -14.965
tors. eta vs tors. theta energy: -23.723
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: 1
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -249.054389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.054389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.054389 (E_RNA)
where:
Base-Base interactions energy: -168.675
where: short stacking energy: -82.621
Base-Backbone interact. energy: -0.116
local terms energy: -80.263236
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -13.657
tors. eta vs tors. theta energy: -20.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -216.196557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.196557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.196557 (E_RNA)
where:
Base-Base interactions energy: -136.375
where: short stacking energy: -61.970
Base-Backbone interact. energy: 0.613
local terms energy: -80.433845
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -17.455
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -21.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -228.420537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.420537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.420537 (E_RNA)
where:
Base-Base interactions energy: -147.628
where: short stacking energy: -71.663
Base-Backbone interact. energy: -0.095
local terms energy: -80.697492
where:
bonds (distance) C4'-P energy: -17.327
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -22.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -238.312518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.312518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.312518 (E_RNA)
where:
Base-Base interactions energy: -162.875
where: short stacking energy: -89.942
Base-Backbone interact. energy: -0.001
local terms energy: -75.436600
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -10.593
flat angles P-C4'-P energy: -11.001
tors. eta vs tors. theta energy: -22.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -104.062701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.062701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.062701 (E_RNA)
where:
Base-Base interactions energy: -50.583
where: short stacking energy: -29.687
Base-Backbone interact. energy: -0.495
local terms energy: -52.984461
where:
bonds (distance) C4'-P energy: -16.186
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -10.996
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: 0.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -93.927851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.927851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.927851 (E_RNA)
where:
Base-Base interactions energy: -36.012
where: short stacking energy: -31.131
Base-Backbone interact. energy: -0.243
local terms energy: -57.672018
where:
bonds (distance) C4'-P energy: -15.578
bonds (distance) P-C4' energy: -13.090
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -3.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -86.846838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.846838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.846838 (E_RNA)
where:
Base-Base interactions energy: -39.217
where: short stacking energy: -32.675
Base-Backbone interact. energy: 5.832
local terms energy: -53.461987
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -19.514
flat angles C4'-P-C4' energy: -10.144
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: -2.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -262.049964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.049964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.049964 (E_RNA)
where:
Base-Base interactions energy: -178.382
where: short stacking energy: -80.237
Base-Backbone interact. energy: -0.044
local terms energy: -83.624353
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -13.066
flat angles C4'-P-C4' energy: -18.591
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -25.626
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: 9
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -260.249702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.249702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.249702 (E_RNA)
where:
Base-Base interactions energy: -169.331
where: short stacking energy: -83.427
Base-Backbone interact. energy: 0.611
local terms energy: -91.529580
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -18.822
flat angles P-C4'-P energy: -14.356
tors. eta vs tors. theta energy: -25.081
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: 1
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -241.851295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.851295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.851295 (E_RNA)
where:
Base-Base interactions energy: -158.257
where: short stacking energy: -75.884
Base-Backbone interact. energy: -0.097
local terms energy: -83.498050
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -18.682
flat angles P-C4'-P energy: -7.632
tors. eta vs tors. theta energy: -25.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -248.844934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.844934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.844934 (E_RNA)
where:
Base-Base interactions energy: -167.984
where: short stacking energy: -70.329
Base-Backbone interact. energy: 0.632
local terms energy: -81.492951
where:
bonds (distance) C4'-P energy: -18.251
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: -13.673
tors. eta vs tors. theta energy: -23.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -246.879603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.879603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.879603 (E_RNA)
where:
Base-Base interactions energy: -156.948
where: short stacking energy: -82.867
Base-Backbone interact. energy: -0.010
local terms energy: -89.921420
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -20.377
flat angles C4'-P-C4' energy: -18.333
flat angles P-C4'-P energy: -13.995
tors. eta vs tors. theta energy: -25.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -231.300126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.300126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.300126 (E_RNA)
where:
Base-Base interactions energy: -151.150
where: short stacking energy: -75.331
Base-Backbone interact. energy: -0.397
local terms energy: -79.752633
where:
bonds (distance) C4'-P energy: -12.154
bonds (distance) P-C4' energy: -14.502
flat angles C4'-P-C4' energy: -17.154
flat angles P-C4'-P energy: -11.836
tors. eta vs tors. theta energy: -24.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -221.365046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.365046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.365046 (E_RNA)
where:
Base-Base interactions energy: -146.309
where: short stacking energy: -64.193
Base-Backbone interact. energy: -0.007
local terms energy: -75.049059
where:
bonds (distance) C4'-P energy: -16.422
bonds (distance) P-C4' energy: -13.463
flat angles C4'-P-C4' energy: -11.810
flat angles P-C4'-P energy: -14.964
tors. eta vs tors. theta energy: -18.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -107.525016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.525016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.525016 (E_RNA)
where:
Base-Base interactions energy: -56.708
where: short stacking energy: -35.525
Base-Backbone interact. energy: -0.523
local terms energy: -50.293888
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -11.601
flat angles C4'-P-C4' energy: -19.375
flat angles P-C4'-P energy: -4.326
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: 7
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -85.982988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.982988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.982988 (E_RNA)
where:
Base-Base interactions energy: -31.257
where: short stacking energy: -31.257
Base-Backbone interact. energy: -0.029
local terms energy: -54.696456
where:
bonds (distance) C4'-P energy: -7.239
bonds (distance) P-C4' energy: -16.462
flat angles C4'-P-C4' energy: -10.421
flat angles P-C4'-P energy: -11.233
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: 3
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -88.456166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.456166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.456166 (E_RNA)
where:
Base-Base interactions energy: -28.862
where: short stacking energy: -28.180
Base-Backbone interact. energy: 0.592
local terms energy: -60.186788
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -5.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -263.667034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.667034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.667034 (E_RNA)
where:
Base-Base interactions energy: -170.411
where: short stacking energy: -79.760
Base-Backbone interact. energy: -0.135
local terms energy: -93.121754
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -18.323
flat angles P-C4'-P energy: -12.940
tors. eta vs tors. theta energy: -26.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -252.048126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.048126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.048126 (E_RNA)
where:
Base-Base interactions energy: -164.644
where: short stacking energy: -75.850
Base-Backbone interact. energy: -0.053
local terms energy: -87.351424
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -17.663
flat angles C4'-P-C4' energy: -20.397
flat angles P-C4'-P energy: -11.480
tors. eta vs tors. theta energy: -22.988
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: 1
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -255.784777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.784777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.784777 (E_RNA)
where:
Base-Base interactions energy: -164.512
where: short stacking energy: -75.819
Base-Backbone interact. energy: -0.010
local terms energy: -91.262375
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -19.358
flat angles P-C4'-P energy: -14.067
tors. eta vs tors. theta energy: -26.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -252.141512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.141512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.141512 (E_RNA)
where:
Base-Base interactions energy: -160.058
where: short stacking energy: -80.877
Base-Backbone interact. energy: -0.132
local terms energy: -91.951842
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -19.715
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: -28.338
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: 5
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -226.424979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.424979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.424979 (E_RNA)
where:
Base-Base interactions energy: -147.399
where: short stacking energy: -64.051
Base-Backbone interact. energy: -0.017
local terms energy: -79.009111
where:
bonds (distance) C4'-P energy: -17.026
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -20.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -207.392331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.392331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.392331 (E_RNA)
where:
Base-Base interactions energy: -131.283
where: short stacking energy: -59.526
Base-Backbone interact. energy: -0.020
local terms energy: -76.089649
where:
bonds (distance) C4'-P energy: -15.841
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -18.375
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -18.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -227.595609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.595609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.595609 (E_RNA)
where:
Base-Base interactions energy: -150.389
where: short stacking energy: -73.927
Base-Backbone interact. energy: -0.096
local terms energy: -77.110455
where:
bonds (distance) C4'-P energy: -15.652
bonds (distance) P-C4' energy: -11.486
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -7.947
tors. eta vs tors. theta energy: -25.457
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: 8
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -86.180822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.180822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.180822 (E_RNA)
where:
Base-Base interactions energy: -26.253
where: short stacking energy: -26.253
Base-Backbone interact. energy: 1.184
local terms energy: -61.111117
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -16.978
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -0.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -87.423434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.423434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.423434 (E_RNA)
where:
Base-Base interactions energy: -38.896
where: short stacking energy: -11.898
Base-Backbone interact. energy: -0.176
local terms energy: -48.351442
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -13.049
flat angles C4'-P-C4' energy: -10.759
flat angles P-C4'-P energy: -14.560
tors. eta vs tors. theta energy: 4.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -71.865266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.865266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.865266 (E_RNA)
where:
Base-Base interactions energy: -23.596
where: short stacking energy: -23.596
Base-Backbone interact. energy: -0.159
local terms energy: -48.109909
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -14.509
flat angles C4'-P-C4' energy: -12.021
flat angles P-C4'-P energy: -5.767
tors. eta vs tors. theta energy: -0.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -267.948208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.948208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.948208 (E_RNA)
where:
Base-Base interactions energy: -177.393
where: short stacking energy: -80.780
Base-Backbone interact. energy: -0.257
local terms energy: -90.298218
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -19.513
flat angles P-C4'-P energy: -12.203
tors. eta vs tors. theta energy: -26.424
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: 9
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -262.207230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.207230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.207230 (E_RNA)
where:
Base-Base interactions energy: -167.375
where: short stacking energy: -82.491
Base-Backbone interact. energy: -0.016
local terms energy: -94.816022
where:
bonds (distance) C4'-P energy: -18.628
bonds (distance) P-C4' energy: -19.467
flat angles C4'-P-C4' energy: -19.411
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -25.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -247.230418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.230418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.230418 (E_RNA)
where:
Base-Base interactions energy: -165.853
where: short stacking energy: -81.365
Base-Backbone interact. energy: -0.295
local terms energy: -81.081724
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -16.813
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -25.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -242.127746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.127746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.127746 (E_RNA)
where:
Base-Base interactions energy: -162.142
where: short stacking energy: -76.537
Base-Backbone interact. energy: -0.038
local terms energy: -79.947972
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -17.010
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -22.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -220.815731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.815731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.815731 (E_RNA)
where:
Base-Base interactions energy: -152.455
where: short stacking energy: -64.940
Base-Backbone interact. energy: -0.518
local terms energy: -67.842511
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -11.019
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -15.666
tors. eta vs tors. theta energy: -14.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -226.914371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.914371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.914371 (E_RNA)
where:
Base-Base interactions energy: -148.554
where: short stacking energy: -64.617
Base-Backbone interact. energy: -0.106
local terms energy: -78.253878
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -18.435
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -9.972
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: 7, replica: 6
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -227.649487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.649487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.649487 (E_RNA)
where:
Base-Base interactions energy: -154.000
where: short stacking energy: -73.729
Base-Backbone interact. energy: -0.024
local terms energy: -73.625461
where:
bonds (distance) C4'-P energy: -10.497
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -12.546
tors. eta vs tors. theta energy: -22.694
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: 8
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -89.414278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.414278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.414278 (E_RNA)
where:
Base-Base interactions energy: -35.267
where: short stacking energy: -35.267
Base-Backbone interact. energy: -0.091
local terms energy: -54.056286
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -10.433
flat angles P-C4'-P energy: -6.328
tors. eta vs tors. theta energy: -7.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -84.006776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.006776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.006776 (E_RNA)
where:
Base-Base interactions energy: -26.529
where: short stacking energy: -27.074
Base-Backbone interact. energy: 0.055
local terms energy: -57.532363
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -12.588
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -4.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -81.721579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.721579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.721579 (E_RNA)
where:
Base-Base interactions energy: -27.800
where: short stacking energy: -19.247
Base-Backbone interact. energy: -0.404
local terms energy: -53.517599
where:
bonds (distance) C4'-P energy: -17.965
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -9.832
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -0.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -266.857781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.857781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.857781 (E_RNA)
where:
Base-Base interactions energy: -183.017
where: short stacking energy: -86.010
Base-Backbone interact. energy: -0.298
local terms energy: -83.542710
where:
bonds (distance) C4'-P energy: -16.767
bonds (distance) P-C4' energy: -16.341
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -13.447
tors. eta vs tors. theta energy: -24.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -260.664449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.664449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.664449 (E_RNA)
where:
Base-Base interactions energy: -171.789
where: short stacking energy: -81.115
Base-Backbone interact. energy: -0.054
local terms energy: -88.821410
where:
bonds (distance) C4'-P energy: -17.398
bonds (distance) P-C4' energy: -13.533
flat angles C4'-P-C4' energy: -17.423
flat angles P-C4'-P energy: -12.935
tors. eta vs tors. theta energy: -27.533
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: 3, replica: 2
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -250.829858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.829858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.829858 (E_RNA)
where:
Base-Base interactions energy: -165.602
where: short stacking energy: -80.943
Base-Backbone interact. energy: -0.014
local terms energy: -85.214239
where:
bonds (distance) C4'-P energy: -15.742
bonds (distance) P-C4' energy: -14.622
flat angles C4'-P-C4' energy: -20.099
flat angles P-C4'-P energy: -13.609
tors. eta vs tors. theta energy: -21.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -232.821097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.821097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.821097 (E_RNA)
where:
Base-Base interactions energy: -151.349
where: short stacking energy: -65.617
Base-Backbone interact. energy: -0.033
local terms energy: -81.438793
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -17.593
flat angles C4'-P-C4' energy: -16.911
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: -20.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -224.168657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.168657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.168657 (E_RNA)
where:
Base-Base interactions energy: -143.574
where: short stacking energy: -64.752
Base-Backbone interact. energy: -0.362
local terms energy: -80.232977
where:
bonds (distance) C4'-P energy: -18.764
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -19.190
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: -18.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -242.806627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.806627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.806627 (E_RNA)
where:
Base-Base interactions energy: -157.888
where: short stacking energy: -79.533
Base-Backbone interact. energy: -0.163
local terms energy: -84.755476
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -16.849
flat angles C4'-P-C4' energy: -18.984
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: -25.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -221.695936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.695936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.695936 (E_RNA)
where:
Base-Base interactions energy: -143.099
where: short stacking energy: -73.376
Base-Backbone interact. energy: -0.102
local terms energy: -78.494841
where:
bonds (distance) C4'-P energy: -16.468
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -11.369
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -25.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -84.231200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.231200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.231200 (E_RNA)
where:
Base-Base interactions energy: -30.763
where: short stacking energy: -26.620
Base-Backbone interact. energy: -0.007
local terms energy: -53.460612
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -14.580
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -8.979
tors. eta vs tors. theta energy: -1.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -79.181900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.181900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.181900 (E_RNA)
where:
Base-Base interactions energy: -25.947
where: short stacking energy: -25.947
Base-Backbone interact. energy: -0.159
local terms energy: -53.076806
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -19.994
flat angles C4'-P-C4' energy: -10.578
flat angles P-C4'-P energy: -10.288
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: 10, replica: 7
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -89.033928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.033928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.033928 (E_RNA)
where:
Base-Base interactions energy: -37.751
where: short stacking energy: -21.640
Base-Backbone interact. energy: -1.818
local terms energy: -49.464975
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -18.217
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: 4.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -263.684553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.684553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.684553 (E_RNA)
where:
Base-Base interactions energy: -169.008
where: short stacking energy: -79.470
Base-Backbone interact. energy: -0.005
local terms energy: -94.671441
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -19.700
flat angles P-C4'-P energy: -12.687
tors. eta vs tors. theta energy: -28.071
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: 4
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -255.738758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.738758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.738758 (E_RNA)
where:
Base-Base interactions energy: -164.889
where: short stacking energy: -77.202
Base-Backbone interact. energy: -0.023
local terms energy: -90.826952
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -14.409
tors. eta vs tors. theta energy: -27.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -248.346305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.346305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.346305 (E_RNA)
where:
Base-Base interactions energy: -163.737
where: short stacking energy: -83.232
Base-Backbone interact. energy: -0.137
local terms energy: -84.471965
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -16.828
flat angles P-C4'-P energy: -15.153
tors. eta vs tors. theta energy: -22.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -226.300938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.300938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.300938 (E_RNA)
where:
Base-Base interactions energy: -142.141
where: short stacking energy: -67.112
Base-Backbone interact. energy: -0.024
local terms energy: -84.135511
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -15.760
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -14.295
tors. eta vs tors. theta energy: -22.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -241.036260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.036260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.036260 (E_RNA)
where:
Base-Base interactions energy: -164.239
where: short stacking energy: -80.689
Base-Backbone interact. energy: -0.028
local terms energy: -76.769058
where:
bonds (distance) C4'-P energy: -10.418
bonds (distance) P-C4' energy: -12.868
flat angles C4'-P-C4' energy: -19.419
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -24.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -218.717249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.717249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.717249 (E_RNA)
where:
Base-Base interactions energy: -138.501
where: short stacking energy: -66.608
Base-Backbone interact. energy: -0.050
local terms energy: -80.166441
where:
bonds (distance) C4'-P energy: -13.497
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -18.726
flat angles P-C4'-P energy: -12.476
tors. eta vs tors. theta energy: -20.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -232.040597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.040597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.040597 (E_RNA)
where:
Base-Base interactions energy: -150.562
where: short stacking energy: -66.948
Base-Backbone interact. energy: -0.595
local terms energy: -80.883468
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -17.554
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -21.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -95.728835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.728835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.728835 (E_RNA)
where:
Base-Base interactions energy: -31.655
where: short stacking energy: -30.081
Base-Backbone interact. energy: -0.207
local terms energy: -63.867307
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -0.158
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: 7
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -92.198303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.198303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.198303 (E_RNA)
where:
Base-Base interactions energy: -39.733
where: short stacking energy: -39.733
Base-Backbone interact. energy: -0.121
local terms energy: -52.344628
where:
bonds (distance) C4'-P energy: -16.745
bonds (distance) P-C4' energy: -11.162
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -7.525
tors. eta vs tors. theta energy: -0.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -76.722226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.722226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.722226 (E_RNA)
where:
Base-Base interactions energy: -26.997
where: short stacking energy: -25.033
Base-Backbone interact. energy: 2.149
local terms energy: -51.874010
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -9.214
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -0.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -269.424136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.424136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.424136 (E_RNA)
where:
Base-Base interactions energy: -179.339
where: short stacking energy: -77.599
Base-Backbone interact. energy: -0.499
local terms energy: -89.586445
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -12.951
tors. eta vs tors. theta energy: -27.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -261.052692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.052692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.052692 (E_RNA)
where:
Base-Base interactions energy: -167.663
where: short stacking energy: -78.261
Base-Backbone interact. energy: -0.019
local terms energy: -93.370904
where:
bonds (distance) C4'-P energy: -13.811
bonds (distance) P-C4' energy: -19.676
flat angles C4'-P-C4' energy: -20.344
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -27.370
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: 4
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -246.055493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.055493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.055493 (E_RNA)
where:
Base-Base interactions energy: -159.180
where: short stacking energy: -80.396
Base-Backbone interact. energy: -0.018
local terms energy: -86.857323
where:
bonds (distance) C4'-P energy: -16.596
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -17.878
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -22.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -235.472851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.472851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.472851 (E_RNA)
where:
Base-Base interactions energy: -152.553
where: short stacking energy: -72.357
Base-Backbone interact. energy: -0.273
local terms energy: -82.646988
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -16.849
flat angles C4'-P-C4' energy: -18.719
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -21.500
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: 5
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -221.454434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.454434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.454434 (E_RNA)
where:
Base-Base interactions energy: -144.228
where: short stacking energy: -61.410
Base-Backbone interact. energy: -0.654
local terms energy: -76.572345
where:
bonds (distance) C4'-P energy: -16.691
bonds (distance) P-C4' energy: -13.058
flat angles C4'-P-C4' energy: -18.495
flat angles P-C4'-P energy: -5.238
tors. eta vs tors. theta energy: -23.091
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: 10
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -206.975986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.975986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.975986 (E_RNA)
where:
Base-Base interactions energy: -133.829
where: short stacking energy: -66.752
Base-Backbone interact. energy: -0.013
local terms energy: -73.133880
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -17.475
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: -17.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -202.999337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.999337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.999337 (E_RNA)
where:
Base-Base interactions energy: -131.962
where: short stacking energy: -50.425
Base-Backbone interact. energy: -0.237
local terms energy: -70.800176
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -7.965
tors. eta vs tors. theta energy: -14.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -94.616476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.616476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.616476 (E_RNA)
where:
Base-Base interactions energy: -38.357
where: short stacking energy: -35.279
Base-Backbone interact. energy: -0.329
local terms energy: -55.929990
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -14.182
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -5.878
tors. eta vs tors. theta energy: -5.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -80.905187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.905187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.905187 (E_RNA)
where:
Base-Base interactions energy: -18.995
where: short stacking energy: -19.226
Base-Backbone interact. energy: -0.116
local terms energy: -61.794597
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: 1.272
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: 10, replica: 8
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -82.012153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.012153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.012153 (E_RNA)
where:
Base-Base interactions energy: -26.277
where: short stacking energy: -21.284
Base-Backbone interact. energy: -0.245
local terms energy: -55.490082
where:
bonds (distance) C4'-P energy: -14.746
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -16.696
flat angles P-C4'-P energy: -6.834
tors. eta vs tors. theta energy: 1.211
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: 444
Temperature: 0.900000
Total energy: -261.498098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.498098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.498098 (E_RNA)
where:
Base-Base interactions energy: -174.780
where: short stacking energy: -84.808
Base-Backbone interact. energy: -0.007
local terms energy: -86.711865
where:
bonds (distance) C4'-P energy: -16.643
bonds (distance) P-C4' energy: -17.268
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: -23.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -259.843376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.843376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.843376 (E_RNA)
where:
Base-Base interactions energy: -165.326
where: short stacking energy: -73.989
Base-Backbone interact. energy: -0.005
local terms energy: -94.511991
where:
bonds (distance) C4'-P energy: -20.346
bonds (distance) P-C4' energy: -18.110
flat angles C4'-P-C4' energy: -17.557
flat angles P-C4'-P energy: -13.523
tors. eta vs tors. theta energy: -24.976
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: 444
Temperature: 1.000000
Total energy: -254.040639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.040639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.040639 (E_RNA)
where:
Base-Base interactions energy: -170.132
where: short stacking energy: -72.868
Base-Backbone interact. energy: -0.101
local terms energy: -83.807784
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -20.314
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: -26.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -244.100992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.100992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.100992 (E_RNA)
where:
Base-Base interactions energy: -162.406
where: short stacking energy: -71.258
Base-Backbone interact. energy: -0.104
local terms energy: -81.590715
where:
bonds (distance) C4'-P energy: -18.333
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -16.069
flat angles P-C4'-P energy: -6.310
tors. eta vs tors. theta energy: -23.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -244.506516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.506516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.506516 (E_RNA)
where:
Base-Base interactions energy: -160.601
where: short stacking energy: -81.363
Base-Backbone interact. energy: -0.003
local terms energy: -83.902882
where:
bonds (distance) C4'-P energy: -13.516
bonds (distance) P-C4' energy: -17.846
flat angles C4'-P-C4' energy: -17.324
flat angles P-C4'-P energy: -12.889
tors. eta vs tors. theta energy: -22.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -208.908008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.908008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.908008 (E_RNA)
where:
Base-Base interactions energy: -137.840
where: short stacking energy: -70.637
Base-Backbone interact. energy: -0.085
local terms energy: -70.982779
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -7.388
tors. eta vs tors. theta energy: -21.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -207.723386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.723386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.723386 (E_RNA)
where:
Base-Base interactions energy: -134.241
where: short stacking energy: -54.585
Base-Backbone interact. energy: -0.123
local terms energy: -73.359643
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -15.086
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -16.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -91.045280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.045280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.045280 (E_RNA)
where:
Base-Base interactions energy: -32.316
where: short stacking energy: -32.316
Base-Backbone interact. energy: -0.311
local terms energy: -58.418040
where:
bonds (distance) C4'-P energy: -16.700
bonds (distance) P-C4' energy: -20.042
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -7.044
tors. eta vs tors. theta energy: 0.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -85.909723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.909723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.909723 (E_RNA)
where:
Base-Base interactions energy: -26.593
where: short stacking energy: -27.893
Base-Backbone interact. energy: -0.194
local terms energy: -59.122682
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -4.996
tors. eta vs tors. theta energy: -3.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -88.187023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.187023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.187023 (E_RNA)
where:
Base-Base interactions energy: -28.494
where: short stacking energy: -20.052
Base-Backbone interact. energy: -0.406
local terms energy: -59.286473
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -11.308
flat angles P-C4'-P energy: -8.722
tors. eta vs tors. theta energy: -6.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -264.403332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.403332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.403332 (E_RNA)
where:
Base-Base interactions energy: -176.808
where: short stacking energy: -85.148
Base-Backbone interact. energy: -0.002
local terms energy: -87.592765
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -17.455
flat angles P-C4'-P energy: -13.333
tors. eta vs tors. theta energy: -27.168
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: 445
Temperature: 0.950000
Total energy: -240.090442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.090442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.090442 (E_RNA)
where:
Base-Base interactions energy: -157.314
where: short stacking energy: -81.845
Base-Backbone interact. energy: -0.044
local terms energy: -82.732291
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -18.395
flat angles P-C4'-P energy: -12.875
tors. eta vs tors. theta energy: -23.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -251.551950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.551950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.551950 (E_RNA)
where:
Base-Base interactions energy: -168.225
where: short stacking energy: -82.162
Base-Backbone interact. energy: -0.498
local terms energy: -82.828964
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -16.122
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -13.576
tors. eta vs tors. theta energy: -23.592
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: 2
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -241.772528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.772528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.772528 (E_RNA)
where:
Base-Base interactions energy: -155.924
where: short stacking energy: -71.505
Base-Backbone interact. energy: -0.051
local terms energy: -85.797590
where:
bonds (distance) C4'-P energy: -10.439
bonds (distance) P-C4' energy: -18.374
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -14.539
tors. eta vs tors. theta energy: -24.903
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: 445
Temperature: 1.100000
Total energy: -246.949808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.949808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.949808 (E_RNA)
where:
Base-Base interactions energy: -159.033
where: short stacking energy: -71.335
Base-Backbone interact. energy: -0.020
local terms energy: -87.897346
where:
bonds (distance) C4'-P energy: -17.933
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -18.520
flat angles P-C4'-P energy: -8.171
tors. eta vs tors. theta energy: -26.786
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: 5
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -221.129030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.129030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.129030 (E_RNA)
where:
Base-Base interactions energy: -149.641
where: short stacking energy: -71.369
Base-Backbone interact. energy: -0.005
local terms energy: -71.482915
where:
bonds (distance) C4'-P energy: -13.033
bonds (distance) P-C4' energy: -10.141
flat angles C4'-P-C4' energy: -17.648
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -22.319
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: 6
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -219.430512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.430512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.430512 (E_RNA)
where:
Base-Base interactions energy: -141.716
where: short stacking energy: -67.503
Base-Backbone interact. energy: 1.455
local terms energy: -79.169673
where:
bonds (distance) C4'-P energy: -8.203
bonds (distance) P-C4' energy: -18.770
flat angles C4'-P-C4' energy: -18.996
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -23.407
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: 8
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -88.711281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.711281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.711281 (E_RNA)
where:
Base-Base interactions energy: -33.774
where: short stacking energy: -30.633
Base-Backbone interact. energy: -1.186
local terms energy: -53.751755
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -18.098
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -8.192
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: 9, replica: 7
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -89.031530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.031530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.031530 (E_RNA)
where:
Base-Base interactions energy: -40.829
where: short stacking energy: -34.007
Base-Backbone interact. energy: -0.217
local terms energy: -47.985274
where:
bonds (distance) C4'-P energy: -11.845
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -8.561
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: 10, replica: 3
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -112.541877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.541877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.541877 (E_RNA)
where:
Base-Base interactions energy: -60.269
where: short stacking energy: -38.194
Base-Backbone interact. energy: -0.122
local terms energy: -52.151233
where:
bonds (distance) C4'-P energy: -10.394
bonds (distance) P-C4' energy: -11.439
flat angles C4'-P-C4' energy: -17.344
flat angles P-C4'-P energy: -6.715
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: 4
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -258.511131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.511131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.511131 (E_RNA)
where:
Base-Base interactions energy: -166.402
where: short stacking energy: -77.496
Base-Backbone interact. energy: -0.024
local terms energy: -92.086012
where:
bonds (distance) C4'-P energy: -16.115
bonds (distance) P-C4' energy: -18.819
flat angles C4'-P-C4' energy: -19.602
flat angles P-C4'-P energy: -12.770
tors. eta vs tors. theta energy: -24.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -266.197183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.197183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.197183 (E_RNA)
where:
Base-Base interactions energy: -171.380
where: short stacking energy: -87.745
Base-Backbone interact. energy: -0.077
local terms energy: -94.740542
where:
bonds (distance) C4'-P energy: -18.716
bonds (distance) P-C4' energy: -19.601
flat angles C4'-P-C4' energy: -17.881
flat angles P-C4'-P energy: -14.079
tors. eta vs tors. theta energy: -24.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -259.000463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.000463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.000463 (E_RNA)
where:
Base-Base interactions energy: -167.540
where: short stacking energy: -87.401
Base-Backbone interact. energy: -0.090
local terms energy: -91.370236
where:
bonds (distance) C4'-P energy: -14.685
bonds (distance) P-C4' energy: -18.682
flat angles C4'-P-C4' energy: -18.680
flat angles P-C4'-P energy: -14.586
tors. eta vs tors. theta energy: -24.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -251.971091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.971091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.971091 (E_RNA)
where:
Base-Base interactions energy: -166.834
where: short stacking energy: -65.586
Base-Backbone interact. energy: -0.067
local terms energy: -85.070112
where:
bonds (distance) C4'-P energy: -19.675
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -18.091
flat angles P-C4'-P energy: -12.554
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: 5, replica: 10
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -230.467259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.467259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.467259 (E_RNA)
where:
Base-Base interactions energy: -153.444
where: short stacking energy: -70.467
Base-Backbone interact. energy: 1.990
local terms energy: -79.013615
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -11.146
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -24.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -226.013774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.013774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.013774 (E_RNA)
where:
Base-Base interactions energy: -144.509
where: short stacking energy: -72.232
Base-Backbone interact. energy: -0.073
local terms energy: -81.431058
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -19.064
flat angles P-C4'-P energy: -11.024
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: 7, replica: 6
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -220.591834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.591834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.591834 (E_RNA)
where:
Base-Base interactions energy: -149.247
where: short stacking energy: -66.925
Base-Backbone interact. energy: -0.098
local terms energy: -71.246213
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -11.709
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -18.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -98.377795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.377795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.377795 (E_RNA)
where:
Base-Base interactions energy: -29.682
where: short stacking energy: -27.154
Base-Backbone interact. energy: -0.504
local terms energy: -68.191559
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -14.089
tors. eta vs tors. theta energy: -2.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -98.482721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.482721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.482721 (E_RNA)
where:
Base-Base interactions energy: -43.997
where: short stacking energy: -25.863
Base-Backbone interact. energy: 0.325
local terms energy: -54.810493
where:
bonds (distance) C4'-P energy: -16.662
bonds (distance) P-C4' energy: -13.746
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -6.413
tors. eta vs tors. theta energy: -3.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -91.208590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.208590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.208590 (E_RNA)
where:
Base-Base interactions energy: -35.164
where: short stacking energy: -30.930
Base-Backbone interact. energy: -0.338
local terms energy: -55.706642
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -13.034
flat angles C4'-P-C4' energy: -9.679
flat angles P-C4'-P energy: -13.271
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: 1, replica: 4
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -259.811333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.811333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.811333 (E_RNA)
where:
Base-Base interactions energy: -169.529
where: short stacking energy: -79.661
Base-Backbone interact. energy: -0.051
local terms energy: -90.230672
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -16.620
flat angles P-C4'-P energy: -14.306
tors. eta vs tors. theta energy: -25.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -264.127033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.127033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.127033 (E_RNA)
where:
Base-Base interactions energy: -178.879
where: short stacking energy: -86.482
Base-Backbone interact. energy: -0.076
local terms energy: -85.172104
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -19.467
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -26.745
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: 1
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -252.270856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.270856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.270856 (E_RNA)
where:
Base-Base interactions energy: -175.152
where: short stacking energy: -83.329
Base-Backbone interact. energy: -0.007
local terms energy: -77.112484
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -9.257
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -26.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -241.117406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.117406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.117406 (E_RNA)
where:
Base-Base interactions energy: -151.584
where: short stacking energy: -71.279
Base-Backbone interact. energy: -0.136
local terms energy: -89.398059
where:
bonds (distance) C4'-P energy: -19.708
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -18.569
flat angles P-C4'-P energy: -12.252
tors. eta vs tors. theta energy: -25.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -232.690431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.690431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.690431 (E_RNA)
where:
Base-Base interactions energy: -154.745
where: short stacking energy: -77.931
Base-Backbone interact. energy: -0.104
local terms energy: -77.841439
where:
bonds (distance) C4'-P energy: -14.880
bonds (distance) P-C4' energy: -12.466
flat angles C4'-P-C4' energy: -17.751
flat angles P-C4'-P energy: -11.348
tors. eta vs tors. theta energy: -21.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -243.702365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.702365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.702365 (E_RNA)
where:
Base-Base interactions energy: -156.067
where: short stacking energy: -75.475
Base-Backbone interact. energy: -0.044
local terms energy: -87.592144
where:
bonds (distance) C4'-P energy: -14.580
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -20.377
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -24.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -225.573365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.573365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.573365 (E_RNA)
where:
Base-Base interactions energy: -145.551
where: short stacking energy: -64.613
Base-Backbone interact. energy: -0.215
local terms energy: -79.806910
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -14.449
tors. eta vs tors. theta energy: -20.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -83.019661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.019661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.019661 (E_RNA)
where:
Base-Base interactions energy: -26.130
where: short stacking energy: -27.230
Base-Backbone interact. energy: -0.219
local terms energy: -56.670391
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -18.638
flat angles C4'-P-C4' energy: -10.939
flat angles P-C4'-P energy: -9.176
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: 8
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -92.757981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.757981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.757981 (E_RNA)
where:
Base-Base interactions energy: -29.343
where: short stacking energy: -28.292
Base-Backbone interact. energy: -0.339
local terms energy: -63.076157
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -17.662
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -4.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -98.624711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.624711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.624711 (E_RNA)
where:
Base-Base interactions energy: -33.649
where: short stacking energy: -29.997
Base-Backbone interact. energy: -0.095
local terms energy: -64.880671
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -14.406
tors. eta vs tors. theta energy: -9.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -272.685568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.685568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.685568 (E_RNA)
where:
Base-Base interactions energy: -178.943
where: short stacking energy: -88.005
Base-Backbone interact. energy: 0.281
local terms energy: -94.023788
where:
bonds (distance) C4'-P energy: -17.967
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -18.700
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -27.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -264.810430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.810430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.810430 (E_RNA)
where:
Base-Base interactions energy: -174.147
where: short stacking energy: -87.830
Base-Backbone interact. energy: -0.100
local terms energy: -90.563106
where:
bonds (distance) C4'-P energy: -18.036
bonds (distance) P-C4' energy: -13.819
flat angles C4'-P-C4' energy: -18.324
flat angles P-C4'-P energy: -13.820
tors. eta vs tors. theta energy: -26.565
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: 3, replica: 10
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -254.758904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.758904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.758904 (E_RNA)
where:
Base-Base interactions energy: -168.832
where: short stacking energy: -77.180
Base-Backbone interact. energy: -0.128
local terms energy: -85.799353
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -18.739
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -8.406
tors. eta vs tors. theta energy: -24.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -233.599553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.599553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.599553 (E_RNA)
where:
Base-Base interactions energy: -152.514
where: short stacking energy: -72.062
Base-Backbone interact. energy: -0.076
local terms energy: -81.010145
where:
bonds (distance) C4'-P energy: -19.008
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -17.606
flat angles P-C4'-P energy: -8.935
tors. eta vs tors. theta energy: -19.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -223.397637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.397637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.397637 (E_RNA)
where:
Base-Base interactions energy: -153.884
where: short stacking energy: -63.938
Base-Backbone interact. energy: -0.195
local terms energy: -69.318093
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -12.314
flat angles C4'-P-C4' energy: -12.674
flat angles P-C4'-P energy: -11.465
tors. eta vs tors. theta energy: -18.712
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: 9
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -222.446842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.446842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.446842 (E_RNA)
where:
Base-Base interactions energy: -149.125
where: short stacking energy: -64.474
Base-Backbone interact. energy: -0.426
local terms energy: -72.896068
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -3.951
tors. eta vs tors. theta energy: -21.514
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: 7, replica: 5
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -212.117430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.117430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.117430 (E_RNA)
where:
Base-Base interactions energy: -138.422
where: short stacking energy: -70.352
Base-Backbone interact. energy: -0.006
local terms energy: -73.689258
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -13.295
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -21.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -91.604248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.604248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.604248 (E_RNA)
where:
Base-Base interactions energy: -32.332
where: short stacking energy: -32.287
Base-Backbone interact. energy: -0.209
local terms energy: -59.063046
where:
bonds (distance) C4'-P energy: -11.897
bonds (distance) P-C4' energy: -20.169
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -7.029
tors. eta vs tors. theta energy: -3.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -89.456948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.456948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.456948 (E_RNA)
where:
Base-Base interactions energy: -33.332
where: short stacking energy: -29.229
Base-Backbone interact. energy: -0.318
local terms energy: -55.806954
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -11.031
flat angles C4'-P-C4' energy: -17.929
flat angles P-C4'-P energy: -10.775
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: 8
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -86.195723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.195723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.195723 (E_RNA)
where:
Base-Base interactions energy: -29.898
where: short stacking energy: -26.583
Base-Backbone interact. energy: -0.115
local terms energy: -56.183100
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -10.838
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: -4.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -266.629958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.629958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.629958 (E_RNA)
where:
Base-Base interactions energy: -177.314
where: short stacking energy: -85.955
Base-Backbone interact. energy: -0.009
local terms energy: -89.306815
where:
bonds (distance) C4'-P energy: -17.920
bonds (distance) P-C4' energy: -17.976
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: -27.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -260.479694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.479694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.479694 (E_RNA)
where:
Base-Base interactions energy: -172.779
where: short stacking energy: -79.181
Base-Backbone interact. energy: -0.338
local terms energy: -87.362645
where:
bonds (distance) C4'-P energy: -17.677
bonds (distance) P-C4' energy: -17.382
flat angles C4'-P-C4' energy: -13.381
flat angles P-C4'-P energy: -13.391
tors. eta vs tors. theta energy: -25.531
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: 2
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -254.594651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.594651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.594651 (E_RNA)
where:
Base-Base interactions energy: -159.094
where: short stacking energy: -83.104
Base-Backbone interact. energy: -0.049
local terms energy: -95.451559
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -17.807
flat angles C4'-P-C4' energy: -20.895
flat angles P-C4'-P energy: -14.578
tors. eta vs tors. theta energy: -25.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -241.216444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.216444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.216444 (E_RNA)
where:
Base-Base interactions energy: -164.583
where: short stacking energy: -73.464
Base-Backbone interact. energy: 0.681
local terms energy: -77.314181
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -8.782
flat angles C4'-P-C4' energy: -17.705
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -23.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -211.926953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.926953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.926953 (E_RNA)
where:
Base-Base interactions energy: -135.489
where: short stacking energy: -57.861
Base-Backbone interact. energy: -0.418
local terms energy: -76.020078
where:
bonds (distance) C4'-P energy: -16.513
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -17.738
flat angles P-C4'-P energy: -9.452
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: 9
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -227.890113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.890113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.890113 (E_RNA)
where:
Base-Base interactions energy: -155.129
where: short stacking energy: -68.870
Base-Backbone interact. energy: -0.117
local terms energy: -72.644707
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -13.041
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -18.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -223.999840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.999840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.999840 (E_RNA)
where:
Base-Base interactions energy: -144.260
where: short stacking energy: -61.864
Base-Backbone interact. energy: -0.302
local terms energy: -79.437797
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -12.703
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -12.910
tors. eta vs tors. theta energy: -23.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -102.345723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.345723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.345723 (E_RNA)
where:
Base-Base interactions energy: -46.046
where: short stacking energy: -30.730
Base-Backbone interact. energy: -0.145
local terms energy: -56.154121
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -13.400
flat angles C4'-P-C4' energy: -11.090
flat angles P-C4'-P energy: -8.214
tors. eta vs tors. theta energy: -9.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -89.618691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.618691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.618691 (E_RNA)
where:
Base-Base interactions energy: -31.087
where: short stacking energy: -31.087
Base-Backbone interact. energy: -0.100
local terms energy: -58.431938
where:
bonds (distance) C4'-P energy: -18.603
bonds (distance) P-C4' energy: -16.947
flat angles C4'-P-C4' energy: -10.399
flat angles P-C4'-P energy: -6.754
tors. eta vs tors. theta energy: -5.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -85.105924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.105924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.105924 (E_RNA)
where:
Base-Base interactions energy: -31.287
where: short stacking energy: -18.654
Base-Backbone interact. energy: -0.155
local terms energy: -53.663470
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -18.657
flat angles P-C4'-P energy: -7.046
tors. eta vs tors. theta energy: 1.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -270.876167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.876167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.876167 (E_RNA)
where:
Base-Base interactions energy: -178.882
where: short stacking energy: -79.112
Base-Backbone interact. energy: -1.557
local terms energy: -90.437420
where:
bonds (distance) C4'-P energy: -18.636
bonds (distance) P-C4' energy: -18.526
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -13.200
tors. eta vs tors. theta energy: -24.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -250.807826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.807826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.807826 (E_RNA)
where:
Base-Base interactions energy: -167.966
where: short stacking energy: -84.313
Base-Backbone interact. energy: 0.378
local terms energy: -83.220258
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -15.319
flat angles C4'-P-C4' energy: -17.944
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -25.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -254.731894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.731894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.731894 (E_RNA)
where:
Base-Base interactions energy: -170.896
where: short stacking energy: -82.042
Base-Backbone interact. energy: -0.061
local terms energy: -83.774769
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -16.646
flat angles P-C4'-P energy: -15.394
tors. eta vs tors. theta energy: -25.604
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: 4, replica: 2
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -240.599874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.599874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.599874 (E_RNA)
where:
Base-Base interactions energy: -156.077
where: short stacking energy: -72.049
Base-Backbone interact. energy: 0.997
local terms energy: -85.519897
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -17.606
flat angles P-C4'-P energy: -14.848
tors. eta vs tors. theta energy: -25.558
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: 9
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -241.008616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.008616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.008616 (E_RNA)
where:
Base-Base interactions energy: -150.232
where: short stacking energy: -68.196
Base-Backbone interact. energy: -0.024
local terms energy: -90.752951
where:
bonds (distance) C4'-P energy: -17.895
bonds (distance) P-C4' energy: -12.770
flat angles C4'-P-C4' energy: -18.057
flat angles P-C4'-P energy: -16.402
tors. eta vs tors. theta energy: -25.628
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: 1
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -228.580913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.580913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.580913 (E_RNA)
where:
Base-Base interactions energy: -151.608
where: short stacking energy: -64.048
Base-Backbone interact. energy: -0.261
local terms energy: -76.711601
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -17.154
flat angles P-C4'-P energy: -12.159
tors. eta vs tors. theta energy: -18.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -213.366073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.366073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.366073 (E_RNA)
where:
Base-Base interactions energy: -138.161
where: short stacking energy: -60.866
Base-Backbone interact. energy: -0.246
local terms energy: -74.958589
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -17.745
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -9.278
tors. eta vs tors. theta energy: -18.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -92.354603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.354603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.354603 (E_RNA)
where:
Base-Base interactions energy: -30.031
where: short stacking energy: -30.031
Base-Backbone interact. energy: -0.188
local terms energy: -62.135502
where:
bonds (distance) C4'-P energy: -14.108
bonds (distance) P-C4' energy: -18.957
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: -10.204
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: 3
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -80.577793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.577793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.577793 (E_RNA)
where:
Base-Base interactions energy: -27.325
where: short stacking energy: -27.325
Base-Backbone interact. energy: -0.051
local terms energy: -53.201953
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -6.456
tors. eta vs tors. theta energy: 0.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -89.326692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.326692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.326692 (E_RNA)
where:
Base-Base interactions energy: -39.261
where: short stacking energy: -18.720
Base-Backbone interact. energy: -0.101
local terms energy: -49.964087
where:
bonds (distance) C4'-P energy: -18.649
bonds (distance) P-C4' energy: -13.325
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: 1.820
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: 1, replica: 4
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -259.659131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.659131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.659131 (E_RNA)
where:
Base-Base interactions energy: -173.934
where: short stacking energy: -69.350
Base-Backbone interact. energy: -0.598
local terms energy: -85.127988
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -17.635
flat angles C4'-P-C4' energy: -18.370
flat angles P-C4'-P energy: -14.504
tors. eta vs tors. theta energy: -20.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -262.368621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.368621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.368621 (E_RNA)
where:
Base-Base interactions energy: -180.050
where: short stacking energy: -88.731
Base-Backbone interact. energy: -0.003
local terms energy: -82.315496
where:
bonds (distance) C4'-P energy: -16.649
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -17.795
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -22.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -248.506483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.506483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.506483 (E_RNA)
where:
Base-Base interactions energy: -162.736
where: short stacking energy: -72.118
Base-Backbone interact. energy: -0.032
local terms energy: -85.739047
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -23.900
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: 9
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -244.192197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.192197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.192197 (E_RNA)
where:
Base-Base interactions energy: -157.773
where: short stacking energy: -64.705
Base-Backbone interact. energy: -0.655
local terms energy: -85.763964
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -15.205
tors. eta vs tors. theta energy: -22.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -253.216648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.216648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.216648 (E_RNA)
where:
Base-Base interactions energy: -165.104
where: short stacking energy: -74.507
Base-Backbone interact. energy: -1.228
local terms energy: -86.884802
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -18.399
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -26.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -238.382370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.382370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.382370 (E_RNA)
where:
Base-Base interactions energy: -150.254
where: short stacking energy: -72.501
Base-Backbone interact. energy: -0.738
local terms energy: -87.390162
where:
bonds (distance) C4'-P energy: -16.197
bonds (distance) P-C4' energy: -17.040
flat angles C4'-P-C4' energy: -17.850
flat angles P-C4'-P energy: -14.204
tors. eta vs tors. theta energy: -22.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -196.991235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.991235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.991235 (E_RNA)
where:
Base-Base interactions energy: -117.093
where: short stacking energy: -52.250
Base-Backbone interact. energy: -0.232
local terms energy: -79.665796
where:
bonds (distance) C4'-P energy: -11.185
bonds (distance) P-C4' energy: -20.278
flat angles C4'-P-C4' energy: -20.851
flat angles P-C4'-P energy: -13.009
tors. eta vs tors. theta energy: -14.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -86.139143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.139143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.139143 (E_RNA)
where:
Base-Base interactions energy: -27.883
where: short stacking energy: -20.885
Base-Backbone interact. energy: -0.260
local terms energy: -57.995416
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -6.540
tors. eta vs tors. theta energy: -3.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -78.257935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.257935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.257935 (E_RNA)
where:
Base-Base interactions energy: -28.677
where: short stacking energy: -17.351
Base-Backbone interact. energy: -0.096
local terms energy: -49.484915
where:
bonds (distance) C4'-P energy: -10.917
bonds (distance) P-C4' energy: -18.166
flat angles C4'-P-C4' energy: -9.794
flat angles P-C4'-P energy: -8.768
tors. eta vs tors. theta energy: -1.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -86.424291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.424291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.424291 (E_RNA)
where:
Base-Base interactions energy: -33.739
where: short stacking energy: -33.739
Base-Backbone interact. energy: -0.050
local terms energy: -52.635159
where:
bonds (distance) C4'-P energy: -16.313
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -6.002
tors. eta vs tors. theta energy: 0.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -264.102530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.102530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.102530 (E_RNA)
where:
Base-Base interactions energy: -175.947
where: short stacking energy: -76.351
Base-Backbone interact. energy: -0.406
local terms energy: -87.749868
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -20.649
flat angles C4'-P-C4' energy: -17.374
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -24.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -261.278704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.278704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.278704 (E_RNA)
where:
Base-Base interactions energy: -170.093
where: short stacking energy: -88.745
Base-Backbone interact. energy: -0.013
local terms energy: -91.172752
where:
bonds (distance) C4'-P energy: -16.840
bonds (distance) P-C4' energy: -19.552
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -27.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -247.269037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.269037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.269037 (E_RNA)
where:
Base-Base interactions energy: -163.300
where: short stacking energy: -75.128
Base-Backbone interact. energy: 0.289
local terms energy: -84.257589
where:
bonds (distance) C4'-P energy: -16.993
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -24.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -241.302401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.302401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.302401 (E_RNA)
where:
Base-Base interactions energy: -153.185
where: short stacking energy: -72.283
Base-Backbone interact. energy: -0.011
local terms energy: -88.106086
where:
bonds (distance) C4'-P energy: -18.214
bonds (distance) P-C4' energy: -16.112
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -12.794
tors. eta vs tors. theta energy: -23.772
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: 2
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -232.980077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.980077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.980077 (E_RNA)
where:
Base-Base interactions energy: -156.047
where: short stacking energy: -66.498
Base-Backbone interact. energy: -0.601
local terms energy: -76.332083
where:
bonds (distance) C4'-P energy: -18.235
bonds (distance) P-C4' energy: -9.428
flat angles C4'-P-C4' energy: -17.066
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -23.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -238.509862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.509862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.509862 (E_RNA)
where:
Base-Base interactions energy: -155.553
where: short stacking energy: -70.407
Base-Backbone interact. energy: -0.101
local terms energy: -82.855696
where:
bonds (distance) C4'-P energy: -17.538
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -17.809
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -19.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -222.078581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.078581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.078581 (E_RNA)
where:
Base-Base interactions energy: -146.735
where: short stacking energy: -69.066
Base-Backbone interact. energy: -0.341
local terms energy: -75.003393
where:
bonds (distance) C4'-P energy: -13.024
bonds (distance) P-C4' energy: -18.537
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -8.924
tors. eta vs tors. theta energy: -18.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -92.919016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.919016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.919016 (E_RNA)
where:
Base-Base interactions energy: -40.929
where: short stacking energy: -40.110
Base-Backbone interact. energy: -0.149
local terms energy: -51.841453
where:
bonds (distance) C4'-P energy: -10.982
bonds (distance) P-C4' energy: -17.697
flat angles C4'-P-C4' energy: -8.554
flat angles P-C4'-P energy: -12.879
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: 8
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -89.730609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.730609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.730609 (E_RNA)
where:
Base-Base interactions energy: -32.399
where: short stacking energy: -28.410
Base-Backbone interact. energy: -0.408
local terms energy: -56.923392
where:
bonds (distance) C4'-P energy: -10.835
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -18.186
flat angles P-C4'-P energy: -8.974
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: 10, replica: 3
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -75.437691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.437691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.437691 (E_RNA)
where:
Base-Base interactions energy: -32.293
where: short stacking energy: -22.191
Base-Backbone interact. energy: 3.237
local terms energy: -46.381040
where:
bonds (distance) C4'-P energy: -13.529
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: 4.743
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: 10
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -267.839962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.839962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.839962 (E_RNA)
where:
Base-Base interactions energy: -175.478
where: short stacking energy: -83.241
Base-Backbone interact. energy: -0.403
local terms energy: -91.959317
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -19.358
flat angles C4'-P-C4' energy: -17.875
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -25.933
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: 6
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -261.933021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.933021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.933021 (E_RNA)
where:
Base-Base interactions energy: -172.173
where: short stacking energy: -82.801
Base-Backbone interact. energy: -0.010
local terms energy: -89.750938
where:
bonds (distance) C4'-P energy: -20.793
bonds (distance) P-C4' energy: -16.497
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -12.356
tors. eta vs tors. theta energy: -24.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -252.899584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.899584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.899584 (E_RNA)
where:
Base-Base interactions energy: -171.118
where: short stacking energy: -74.642
Base-Backbone interact. energy: -0.001
local terms energy: -81.780662
where:
bonds (distance) C4'-P energy: -10.951
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -14.794
tors. eta vs tors. theta energy: -24.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -239.499296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.499296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.499296 (E_RNA)
where:
Base-Base interactions energy: -160.358
where: short stacking energy: -75.666
Base-Backbone interact. energy: -0.252
local terms energy: -78.888609
where:
bonds (distance) C4'-P energy: -18.156
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -12.262
flat angles P-C4'-P energy: -11.570
tors. eta vs tors. theta energy: -23.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -236.535712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.535712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.535712 (E_RNA)
where:
Base-Base interactions energy: -156.377
where: short stacking energy: -63.109
Base-Backbone interact. energy: -0.212
local terms energy: -79.947126
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -19.124
flat angles P-C4'-P energy: -11.812
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: 1
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -231.505725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.505725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.505725 (E_RNA)
where:
Base-Base interactions energy: -155.592
where: short stacking energy: -67.717
Base-Backbone interact. energy: -0.285
local terms energy: -75.629080
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -15.686
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -19.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -235.424352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.424352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.424352 (E_RNA)
where:
Base-Base interactions energy: -163.591
where: short stacking energy: -69.229
Base-Backbone interact. energy: -0.196
local terms energy: -71.637596
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -5.504
tors. eta vs tors. theta energy: -20.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -99.183868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.183868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.183868 (E_RNA)
where:
Base-Base interactions energy: -44.164
where: short stacking energy: -34.369
Base-Backbone interact. energy: -0.343
local terms energy: -54.677192
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -11.290
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -5.633
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: 9, replica: 7
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -93.750033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.750033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.750033 (E_RNA)
where:
Base-Base interactions energy: -38.543
where: short stacking energy: -29.555
Base-Backbone interact. energy: -0.445
local terms energy: -54.761657
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: -1.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -83.867045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.867045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.867045 (E_RNA)
where:
Base-Base interactions energy: -25.899
where: short stacking energy: -19.817
Base-Backbone interact. energy: -0.216
local terms energy: -57.751413
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -17.816
flat angles C4'-P-C4' energy: -11.016
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -3.412
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: 6
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -267.072188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.072188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.072188 (E_RNA)
where:
Base-Base interactions energy: -179.911
where: short stacking energy: -86.440
Base-Backbone interact. energy: -0.045
local terms energy: -87.116421
where:
bonds (distance) C4'-P energy: -18.616
bonds (distance) P-C4' energy: -19.271
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -7.797
tors. eta vs tors. theta energy: -26.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -260.505408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.505408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.505408 (E_RNA)
where:
Base-Base interactions energy: -170.552
where: short stacking energy: -81.254
Base-Backbone interact. energy: -0.011
local terms energy: -89.941554
where:
bonds (distance) C4'-P energy: -18.815
bonds (distance) P-C4' energy: -15.887
flat angles C4'-P-C4' energy: -17.413
flat angles P-C4'-P energy: -12.498
tors. eta vs tors. theta energy: -25.329
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: 2
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -261.827939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.827939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.827939 (E_RNA)
where:
Base-Base interactions energy: -169.310
where: short stacking energy: -83.397
Base-Backbone interact. energy: -2.648
local terms energy: -89.869701
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -14.256
flat angles C4'-P-C4' energy: -18.260
flat angles P-C4'-P energy: -14.828
tors. eta vs tors. theta energy: -26.567
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: 4
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -248.274258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.274258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.274258 (E_RNA)
where:
Base-Base interactions energy: -162.921
where: short stacking energy: -82.929
Base-Backbone interact. energy: -0.089
local terms energy: -85.264099
where:
bonds (distance) C4'-P energy: -17.420
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -17.398
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: -24.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -232.437758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.437758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.437758 (E_RNA)
where:
Base-Base interactions energy: -146.892
where: short stacking energy: -73.532
Base-Backbone interact. energy: 2.051
local terms energy: -87.596715
where:
bonds (distance) C4'-P energy: -12.777
bonds (distance) P-C4' energy: -15.919
flat angles C4'-P-C4' energy: -20.587
flat angles P-C4'-P energy: -15.276
tors. eta vs tors. theta energy: -23.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -229.163599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.163599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.163599 (E_RNA)
where:
Base-Base interactions energy: -154.344
where: short stacking energy: -68.935
Base-Backbone interact. energy: -0.141
local terms energy: -74.679085
where:
bonds (distance) C4'-P energy: -15.296
bonds (distance) P-C4' energy: -11.667
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -13.308
tors. eta vs tors. theta energy: -19.519
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: 7, replica: 5
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -240.830973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.830973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.830973 (E_RNA)
where:
Base-Base interactions energy: -157.950
where: short stacking energy: -70.984
Base-Backbone interact. energy: 1.155
local terms energy: -84.035933
where:
bonds (distance) C4'-P energy: -10.857
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -17.733
flat angles P-C4'-P energy: -11.826
tors. eta vs tors. theta energy: -24.997
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: 8, replica: 8
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -92.507788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.507788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.507788 (E_RNA)
where:
Base-Base interactions energy: -36.846
where: short stacking energy: -36.846
Base-Backbone interact. energy: -0.145
local terms energy: -55.516740
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -18.394
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -2.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -88.456608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.456608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.456608 (E_RNA)
where:
Base-Base interactions energy: -35.104
where: short stacking energy: -23.369
Base-Backbone interact. energy: -0.269
local terms energy: -53.083390
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -14.519
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -2.622
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: 7
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -78.671731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.671731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.671731 (E_RNA)
where:
Base-Base interactions energy: -27.679
where: short stacking energy: -23.516
Base-Backbone interact. energy: -0.471
local terms energy: -50.522257
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -14.182
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -8.242
tors. eta vs tors. theta energy: 1.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -266.022312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.022312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.022312 (E_RNA)
where:
Base-Base interactions energy: -176.319
where: short stacking energy: -84.738
Base-Backbone interact. energy: -0.111
local terms energy: -89.592237
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -21.206
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -26.303
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: 455
Temperature: 0.950000
Total energy: -251.803059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.803059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.803059 (E_RNA)
where:
Base-Base interactions energy: -164.471
where: short stacking energy: -76.619
Base-Backbone interact. energy: -0.010
local terms energy: -87.322473
where:
bonds (distance) C4'-P energy: -17.746
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -13.491
tors. eta vs tors. theta energy: -23.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -238.779032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.779032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.779032 (E_RNA)
where:
Base-Base interactions energy: -158.762
where: short stacking energy: -79.287
Base-Backbone interact. energy: -0.326
local terms energy: -79.690825
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -12.326
flat angles C4'-P-C4' energy: -19.463
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: -23.336
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: 4, replica: 9
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -229.980334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.980334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.980334 (E_RNA)
where:
Base-Base interactions energy: -153.432
where: short stacking energy: -68.326
Base-Backbone interact. energy: -0.650
local terms energy: -75.898514
where:
bonds (distance) C4'-P energy: -18.305
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -8.452
tors. eta vs tors. theta energy: -20.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -242.596855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.596855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.596855 (E_RNA)
where:
Base-Base interactions energy: -162.612
where: short stacking energy: -74.401
Base-Backbone interact. energy: -0.004
local terms energy: -79.980907
where:
bonds (distance) C4'-P energy: -16.704
bonds (distance) P-C4' energy: -17.121
flat angles C4'-P-C4' energy: -13.019
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -22.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -210.589966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.589966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.589966 (E_RNA)
where:
Base-Base interactions energy: -134.562
where: short stacking energy: -65.849
Base-Backbone interact. energy: -0.066
local terms energy: -75.962034
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -12.411
tors. eta vs tors. theta energy: -20.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -232.718893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.718893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.718893 (E_RNA)
where:
Base-Base interactions energy: -155.115
where: short stacking energy: -67.847
Base-Backbone interact. energy: -0.385
local terms energy: -77.218559
where:
bonds (distance) C4'-P energy: -17.788
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -17.448
flat angles P-C4'-P energy: -2.747
tors. eta vs tors. theta energy: -22.706
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: 3
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -100.989250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.989250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.989250 (E_RNA)
where:
Base-Base interactions energy: -40.751
where: short stacking energy: -34.518
Base-Backbone interact. energy: 0.696
local terms energy: -60.934428
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -4.170
tors. eta vs tors. theta energy: -9.235
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: 8
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -92.950594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.950594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.950594 (E_RNA)
where:
Base-Base interactions energy: -27.777
where: short stacking energy: -27.777
Base-Backbone interact. energy: -0.145
local terms energy: -65.028527
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -5.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -80.279377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.279377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.279377 (E_RNA)
where:
Base-Base interactions energy: -32.213
where: short stacking energy: -25.795
Base-Backbone interact. energy: 0.853
local terms energy: -48.919606
where:
bonds (distance) C4'-P energy: -17.383
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -8.662
flat angles P-C4'-P energy: -5.909
tors. eta vs tors. theta energy: -2.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -268.407104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.407104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.407104 (E_RNA)
where:
Base-Base interactions energy: -176.605
where: short stacking energy: -77.502
Base-Backbone interact. energy: -0.036
local terms energy: -91.765915
where:
bonds (distance) C4'-P energy: -17.021
bonds (distance) P-C4' energy: -19.165
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -13.646
tors. eta vs tors. theta energy: -26.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -265.333935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.333935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.333935 (E_RNA)
where:
Base-Base interactions energy: -172.479
where: short stacking energy: -83.108
Base-Backbone interact. energy: -0.101
local terms energy: -92.753776
where:
bonds (distance) C4'-P energy: -11.310
bonds (distance) P-C4' energy: -18.280
flat angles C4'-P-C4' energy: -18.594
flat angles P-C4'-P energy: -16.624
tors. eta vs tors. theta energy: -27.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -253.549786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.549786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.549786 (E_RNA)
where:
Base-Base interactions energy: -167.448
where: short stacking energy: -83.352
Base-Backbone interact. energy: -0.015
local terms energy: -86.086032
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -19.378
flat angles P-C4'-P energy: -14.707
tors. eta vs tors. theta energy: -23.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -255.070830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.070830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.070830 (E_RNA)
where:
Base-Base interactions energy: -166.134
where: short stacking energy: -80.213
Base-Backbone interact. energy: -0.201
local terms energy: -88.735632
where:
bonds (distance) C4'-P energy: -16.149
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -14.508
tors. eta vs tors. theta energy: -26.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -226.883878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.883878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.883878 (E_RNA)
where:
Base-Base interactions energy: -144.746
where: short stacking energy: -75.958
Base-Backbone interact. energy: -0.004
local terms energy: -82.134013
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: -22.889
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: 4
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -231.636563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.636563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.636563 (E_RNA)
where:
Base-Base interactions energy: -159.808
where: short stacking energy: -65.677
Base-Backbone interact. energy: -0.278
local terms energy: -71.550477
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -11.817
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -21.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -210.318106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.318106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.318106 (E_RNA)
where:
Base-Base interactions energy: -132.606
where: short stacking energy: -64.616
Base-Backbone interact. energy: -0.011
local terms energy: -77.701168
where:
bonds (distance) C4'-P energy: -14.358
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -18.646
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -18.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -95.605998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.605998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.605998 (E_RNA)
where:
Base-Base interactions energy: -33.086
where: short stacking energy: -33.086
Base-Backbone interact. energy: -0.050
local terms energy: -62.470194
where:
bonds (distance) C4'-P energy: -17.341
bonds (distance) P-C4' energy: -17.953
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -4.759
tors. eta vs tors. theta energy: -8.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -85.917814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.917814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.917814 (E_RNA)
where:
Base-Base interactions energy: -18.799
where: short stacking energy: -18.799
Base-Backbone interact. energy: -0.145
local terms energy: -66.973851
where:
bonds (distance) C4'-P energy: -19.841
bonds (distance) P-C4' energy: -19.750
flat angles C4'-P-C4' energy: -19.468
flat angles P-C4'-P energy: -4.538
tors. eta vs tors. theta energy: -3.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -79.688065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.688065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.688065 (E_RNA)
where:
Base-Base interactions energy: -34.004
where: short stacking energy: -19.557
Base-Backbone interact. energy: 1.225
local terms energy: -46.908628
where:
bonds (distance) C4'-P energy: -17.675
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -6.451
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: 0.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -264.383292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.383292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.383292 (E_RNA)
where:
Base-Base interactions energy: -171.594
where: short stacking energy: -82.028
Base-Backbone interact. energy: -0.118
local terms energy: -92.671278
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -19.584
flat angles P-C4'-P energy: -14.558
tors. eta vs tors. theta energy: -26.020
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: 9
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -265.927355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.927355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.927355 (E_RNA)
where:
Base-Base interactions energy: -175.361
where: short stacking energy: -78.893
Base-Backbone interact. energy: -0.081
local terms energy: -90.485759
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -17.555
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -13.908
tors. eta vs tors. theta energy: -26.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -254.839470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.839470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.839470 (E_RNA)
where:
Base-Base interactions energy: -170.071
where: short stacking energy: -76.402
Base-Backbone interact. energy: -0.021
local terms energy: -84.747376
where:
bonds (distance) C4'-P energy: -16.588
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -18.318
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -24.399
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: 10
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -241.552581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.552581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.552581 (E_RNA)
where:
Base-Base interactions energy: -156.777
where: short stacking energy: -70.232
Base-Backbone interact. energy: -0.001
local terms energy: -84.774292
where:
bonds (distance) C4'-P energy: -19.316
bonds (distance) P-C4' energy: -14.021
flat angles C4'-P-C4' energy: -17.083
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -23.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -214.478540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.478540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.478540 (E_RNA)
where:
Base-Base interactions energy: -143.103
where: short stacking energy: -63.620
Base-Backbone interact. energy: -0.184
local terms energy: -71.191634
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -11.897
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -6.980
tors. eta vs tors. theta energy: -22.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -228.279353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.279353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.279353 (E_RNA)
where:
Base-Base interactions energy: -153.244
where: short stacking energy: -76.280
Base-Backbone interact. energy: -0.056
local terms energy: -74.979654
where:
bonds (distance) C4'-P energy: -9.135
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -14.132
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -23.526
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: 4
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -204.708634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.708634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.708634 (E_RNA)
where:
Base-Base interactions energy: -138.444
where: short stacking energy: -47.999
Base-Backbone interact. energy: -0.121
local terms energy: -66.143683
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -11.248
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: 7
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -90.833324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.833324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.833324 (E_RNA)
where:
Base-Base interactions energy: -37.706
where: short stacking energy: -23.024
Base-Backbone interact. energy: -0.485
local terms energy: -52.641691
where:
bonds (distance) C4'-P energy: -17.985
bonds (distance) P-C4' energy: -10.380
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -7.019
tors. eta vs tors. theta energy: -4.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -88.999404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.999404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.999404 (E_RNA)
where:
Base-Base interactions energy: -28.861
where: short stacking energy: -27.071
Base-Backbone interact. energy: -0.033
local terms energy: -60.104881
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -16.900
flat angles P-C4'-P energy: -7.631
tors. eta vs tors. theta energy: -3.858
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: 10, replica: 8
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -79.488287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.488287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.488287 (E_RNA)
where:
Base-Base interactions energy: -21.162
where: short stacking energy: -17.831
Base-Backbone interact. energy: -0.034
local terms energy: -58.292175
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -17.867
flat angles C4'-P-C4' energy: -7.068
flat angles P-C4'-P energy: -11.910
tors. eta vs tors. theta energy: -5.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -269.260794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.260794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.260794 (E_RNA)
where:
Base-Base interactions energy: -172.596
where: short stacking energy: -73.402
Base-Backbone interact. energy: 0.260
local terms energy: -96.924697
where:
bonds (distance) C4'-P energy: -18.509
bonds (distance) P-C4' energy: -19.862
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -14.571
tors. eta vs tors. theta energy: -27.107
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: 2, replica: 2
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -257.573777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.573777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.573777 (E_RNA)
where:
Base-Base interactions energy: -167.690
where: short stacking energy: -80.989
Base-Backbone interact. energy: -0.200
local terms energy: -89.684103
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -19.052
flat angles C4'-P-C4' energy: -18.263
flat angles P-C4'-P energy: -13.716
tors. eta vs tors. theta energy: -22.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -247.359512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.359512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.359512 (E_RNA)
where:
Base-Base interactions energy: -159.126
where: short stacking energy: -69.226
Base-Backbone interact. energy: -0.141
local terms energy: -88.091811
where:
bonds (distance) C4'-P energy: -17.378
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -18.199
flat angles P-C4'-P energy: -13.144
tors. eta vs tors. theta energy: -23.893
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: 10
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -247.259360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.259360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.259360 (E_RNA)
where:
Base-Base interactions energy: -161.626
where: short stacking energy: -74.001
Base-Backbone interact. energy: -0.009
local terms energy: -85.624921
where:
bonds (distance) C4'-P energy: -11.063
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -16.787
tors. eta vs tors. theta energy: -24.940
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: 458
Temperature: 1.100000
Total energy: -240.784635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.784635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.784635 (E_RNA)
where:
Base-Base interactions energy: -163.809
where: short stacking energy: -71.342
Base-Backbone interact. energy: -0.580
local terms energy: -76.395529
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -11.724
flat angles C4'-P-C4' energy: -18.363
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: -19.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -221.086337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.086337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.086337 (E_RNA)
where:
Base-Base interactions energy: -147.793
where: short stacking energy: -71.549
Base-Backbone interact. energy: -0.110
local terms energy: -73.183306
where:
bonds (distance) C4'-P energy: -16.320
bonds (distance) P-C4' energy: -8.918
flat angles C4'-P-C4' energy: -19.482
flat angles P-C4'-P energy: -5.155
tors. eta vs tors. theta energy: -23.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -196.136085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.136085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.136085 (E_RNA)
where:
Base-Base interactions energy: -127.062
where: short stacking energy: -56.778
Base-Backbone interact. energy: -0.575
local terms energy: -68.498789
where:
bonds (distance) C4'-P energy: -17.597
bonds (distance) P-C4' energy: -15.235
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -13.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -89.002681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.002681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.002681 (E_RNA)
where:
Base-Base interactions energy: -31.284
where: short stacking energy: -25.614
Base-Backbone interact. energy: -0.466
local terms energy: -57.253558
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -18.942
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -4.833
tors. eta vs tors. theta energy: -3.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -86.387020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.387020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.387020 (E_RNA)
where:
Base-Base interactions energy: -27.516
where: short stacking energy: -25.521
Base-Backbone interact. energy: -0.259
local terms energy: -58.612265
where:
bonds (distance) C4'-P energy: -20.569
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: -7.117
tors. eta vs tors. theta energy: 1.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -78.388587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.388587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.388587 (E_RNA)
where:
Base-Base interactions energy: -26.545
where: short stacking energy: -24.861
Base-Backbone interact. energy: -0.018
local terms energy: -51.825548
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -5.871
tors. eta vs tors. theta energy: 3.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -267.289635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.289635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.289635 (E_RNA)
where:
Base-Base interactions energy: -169.687
where: short stacking energy: -80.372
Base-Backbone interact. energy: -0.019
local terms energy: -97.583080
where:
bonds (distance) C4'-P energy: -16.456
bonds (distance) P-C4' energy: -20.913
flat angles C4'-P-C4' energy: -17.927
flat angles P-C4'-P energy: -15.922
tors. eta vs tors. theta energy: -26.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -254.118712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.118712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.118712 (E_RNA)
where:
Base-Base interactions energy: -161.020
where: short stacking energy: -75.338
Base-Backbone interact. energy: -0.004
local terms energy: -93.095350
where:
bonds (distance) C4'-P energy: -17.879
bonds (distance) P-C4' energy: -19.118
flat angles C4'-P-C4' energy: -19.654
flat angles P-C4'-P energy: -13.294
tors. eta vs tors. theta energy: -23.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -251.323488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.323488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.323488 (E_RNA)
where:
Base-Base interactions energy: -163.313
where: short stacking energy: -78.757
Base-Backbone interact. energy: -0.006
local terms energy: -88.004200
where:
bonds (distance) C4'-P energy: -19.025
bonds (distance) P-C4' energy: -18.526
flat angles C4'-P-C4' energy: -15.616
flat angles P-C4'-P energy: -12.820
tors. eta vs tors. theta energy: -22.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -244.261149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.261149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.261149 (E_RNA)
where:
Base-Base interactions energy: -164.535
where: short stacking energy: -73.335
Base-Backbone interact. energy: -0.025
local terms energy: -79.701238
where:
bonds (distance) C4'-P energy: -9.548
bonds (distance) P-C4' energy: -16.428
flat angles C4'-P-C4' energy: -17.194
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -24.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -231.548858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.548858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.548858 (E_RNA)
where:
Base-Base interactions energy: -155.619
where: short stacking energy: -64.347
Base-Backbone interact. energy: -0.104
local terms energy: -75.825256
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -12.504
tors. eta vs tors. theta energy: -20.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -204.728012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.728012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.728012 (E_RNA)
where:
Base-Base interactions energy: -122.567
where: short stacking energy: -54.337
Base-Backbone interact. energy: -0.020
local terms energy: -82.140843
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -18.027
flat angles P-C4'-P energy: -13.190
tors. eta vs tors. theta energy: -19.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -200.959600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.959600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.959600 (E_RNA)
where:
Base-Base interactions energy: -121.543
where: short stacking energy: -56.807
Base-Backbone interact. energy: -0.387
local terms energy: -79.029517
where:
bonds (distance) C4'-P energy: -17.766
bonds (distance) P-C4' energy: -19.997
flat angles C4'-P-C4' energy: -18.610
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -12.556
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: 8
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -93.350318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.350318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.350318 (E_RNA)
where:
Base-Base interactions energy: -33.716
where: short stacking energy: -29.886
Base-Backbone interact. energy: -0.350
local terms energy: -59.283706
where:
bonds (distance) C4'-P energy: -14.966
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -6.817
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: 9, replica: 7
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -92.104759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.104759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.104759 (E_RNA)
where:
Base-Base interactions energy: -43.836
where: short stacking energy: -31.177
Base-Backbone interact. energy: 0.329
local terms energy: -48.597628
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -15.347
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -6.482
tors. eta vs tors. theta energy: -0.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -85.939940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.939940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.939940 (E_RNA)
where:
Base-Base interactions energy: -29.609
where: short stacking energy: -29.609
Base-Backbone interact. energy: -0.458
local terms energy: -55.873089
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -15.788
flat angles C4'-P-C4' energy: -8.795
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -6.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -263.573192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.573192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.573192 (E_RNA)
where:
Base-Base interactions energy: -170.294
where: short stacking energy: -78.028
Base-Backbone interact. energy: -0.019
local terms energy: -93.259995
where:
bonds (distance) C4'-P energy: -18.267
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -19.680
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -24.749
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: 460
Temperature: 0.950000
Total energy: -266.428362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.428362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.428362 (E_RNA)
where:
Base-Base interactions energy: -175.097
where: short stacking energy: -83.701
Base-Backbone interact. energy: -0.025
local terms energy: -91.306588
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -20.449
flat angles P-C4'-P energy: -12.867
tors. eta vs tors. theta energy: -25.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -250.980267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.980267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.980267 (E_RNA)
where:
Base-Base interactions energy: -169.020
where: short stacking energy: -81.532
Base-Backbone interact. energy: -0.028
local terms energy: -81.931823
where:
bonds (distance) C4'-P energy: -9.722
bonds (distance) P-C4' energy: -20.110
flat angles C4'-P-C4' energy: -16.059
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -26.576
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: 10
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -258.736480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.736480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.736480 (E_RNA)
where:
Base-Base interactions energy: -168.582
where: short stacking energy: -83.149
Base-Backbone interact. energy: -0.011
local terms energy: -90.142835
where:
bonds (distance) C4'-P energy: -16.273
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -18.724
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -24.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -251.012049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.012049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.012049 (E_RNA)
where:
Base-Base interactions energy: -166.972
where: short stacking energy: -84.671
Base-Backbone interact. energy: -0.029
local terms energy: -84.010573
where:
bonds (distance) C4'-P energy: -16.980
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -13.725
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -25.275
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: 460
Temperature: 1.150000
Total energy: -195.897231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.897231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.897231 (E_RNA)
where:
Base-Base interactions energy: -119.914
where: short stacking energy: -57.408
Base-Backbone interact. energy: -0.049
local terms energy: -75.933279
where:
bonds (distance) C4'-P energy: -17.742
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -16.029
flat angles P-C4'-P energy: -7.234
tors. eta vs tors. theta energy: -16.453
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: 4
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -227.834109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.834109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.834109 (E_RNA)
where:
Base-Base interactions energy: -150.217
where: short stacking energy: -69.275
Base-Backbone interact. energy: 0.853
local terms energy: -78.470223
where:
bonds (distance) C4'-P energy: -9.315
bonds (distance) P-C4' energy: -18.731
flat angles C4'-P-C4' energy: -20.067
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: -23.081
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: 8
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -94.726047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.726047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.726047 (E_RNA)
where:
Base-Base interactions energy: -35.323
where: short stacking energy: -28.103
Base-Backbone interact. energy: -0.100
local terms energy: -59.302880
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -17.177
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: -1.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -97.665855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.665855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.665855 (E_RNA)
where:
Base-Base interactions energy: -39.274
where: short stacking energy: -35.476
Base-Backbone interact. energy: -0.093
local terms energy: -58.298747
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -15.186
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -7.401
tors. eta vs tors. theta energy: -7.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -87.665482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.665482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.665482 (E_RNA)
where:
Base-Base interactions energy: -27.281
where: short stacking energy: -27.281
Base-Backbone interact. energy: -0.404
local terms energy: -59.980133
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -5.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -260.646915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.646915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.646915 (E_RNA)
where:
Base-Base interactions energy: -170.434
where: short stacking energy: -79.844
Base-Backbone interact. energy: 0.107
local terms energy: -90.319242
where:
bonds (distance) C4'-P energy: -16.993
bonds (distance) P-C4' energy: -17.479
flat angles C4'-P-C4' energy: -16.737
flat angles P-C4'-P energy: -14.494
tors. eta vs tors. theta energy: -24.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -257.725664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.725664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.725664 (E_RNA)
where:
Base-Base interactions energy: -172.436
where: short stacking energy: -80.142
Base-Backbone interact. energy: -0.017
local terms energy: -85.272355
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -16.878
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -27.442
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: 9
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -248.481033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.481033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.481033 (E_RNA)
where:
Base-Base interactions energy: -159.037
where: short stacking energy: -73.543
Base-Backbone interact. energy: -0.074
local terms energy: -89.370582
where:
bonds (distance) C4'-P energy: -14.862
bonds (distance) P-C4' energy: -19.460
flat angles C4'-P-C4' energy: -18.627
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -24.495
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: 10
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -250.960057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.960057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.960057 (E_RNA)
where:
Base-Base interactions energy: -170.318
where: short stacking energy: -79.533
Base-Backbone interact. energy: 0.478
local terms energy: -81.119950
where:
bonds (distance) C4'-P energy: -11.235
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -18.017
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -24.415
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: 5, replica: 1
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -234.504996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.504996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.504996 (E_RNA)
where:
Base-Base interactions energy: -151.310
where: short stacking energy: -68.035
Base-Backbone interact. energy: -0.149
local terms energy: -83.045395
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -17.645
flat angles P-C4'-P energy: -13.846
tors. eta vs tors. theta energy: -20.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -244.417782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.417782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.417782 (E_RNA)
where:
Base-Base interactions energy: -159.551
where: short stacking energy: -77.946
Base-Backbone interact. energy: -1.613
local terms energy: -83.253529
where:
bonds (distance) C4'-P energy: -13.173
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -17.580
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -25.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -175.533780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.533780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.533780 (E_RNA)
where:
Base-Base interactions energy: -112.607
where: short stacking energy: -50.707
Base-Backbone interact. energy: -0.558
local terms energy: -62.368224
where:
bonds (distance) C4'-P energy: -10.199
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -7.872
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: 8, replica: 3
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -105.113632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.113632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.113632 (E_RNA)
where:
Base-Base interactions energy: -43.687
where: short stacking energy: -43.687
Base-Backbone interact. energy: -0.174
local terms energy: -61.252713
where:
bonds (distance) C4'-P energy: -18.491
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -3.626
tors. eta vs tors. theta energy: -8.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -83.129776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.129776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.129776 (E_RNA)
where:
Base-Base interactions energy: -25.332
where: short stacking energy: -25.332
Base-Backbone interact. energy: 0.581
local terms energy: -58.379010
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -19.577
flat angles C4'-P-C4' energy: -12.865
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -5.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -74.957751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.957751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.957751 (E_RNA)
where:
Base-Base interactions energy: -19.565
where: short stacking energy: -19.565
Base-Backbone interact. energy: -0.199
local terms energy: -55.193609
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -18.732
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -0.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -258.593473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.593473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.593473 (E_RNA)
where:
Base-Base interactions energy: -168.201
where: short stacking energy: -82.220
Base-Backbone interact. energy: -0.017
local terms energy: -90.375369
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -18.241
flat angles P-C4'-P energy: -12.953
tors. eta vs tors. theta energy: -26.219
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: 2, replica: 6
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -258.247070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.247070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.247070 (E_RNA)
where:
Base-Base interactions energy: -167.981
where: short stacking energy: -85.707
Base-Backbone interact. energy: -0.009
local terms energy: -90.257434
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -18.489
flat angles P-C4'-P energy: -14.567
tors. eta vs tors. theta energy: -24.608
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: 10
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -245.135224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.135224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.135224 (E_RNA)
where:
Base-Base interactions energy: -164.924
where: short stacking energy: -68.462
Base-Backbone interact. energy: 0.558
local terms energy: -80.769571
where:
bonds (distance) C4'-P energy: -17.038
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: -18.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -246.477530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.477530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.477530 (E_RNA)
where:
Base-Base interactions energy: -168.071
where: short stacking energy: -74.597
Base-Backbone interact. energy: -0.061
local terms energy: -78.345159
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -19.217
flat angles P-C4'-P energy: -7.702
tors. eta vs tors. theta energy: -18.823
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: 4
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -255.798486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.798486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.798486 (E_RNA)
where:
Base-Base interactions energy: -173.455
where: short stacking energy: -81.765
Base-Backbone interact. energy: -0.236
local terms energy: -82.107058
where:
bonds (distance) C4'-P energy: -18.313
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -25.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -225.568925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.568925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.568925 (E_RNA)
where:
Base-Base interactions energy: -150.448
where: short stacking energy: -70.434
Base-Backbone interact. energy: -0.042
local terms energy: -75.079356
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -11.267
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -14.151
tors. eta vs tors. theta energy: -20.417
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: 3
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -98.173586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.173586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.173586 (E_RNA)
where:
Base-Base interactions energy: -36.315
where: short stacking energy: -32.492
Base-Backbone interact. energy: 0.714
local terms energy: -62.571673
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -18.718
flat angles P-C4'-P energy: -5.782
tors. eta vs tors. theta energy: -6.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -92.864509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.864509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.864509 (E_RNA)
where:
Base-Base interactions energy: -34.808
where: short stacking energy: -30.442
Base-Backbone interact. energy: -0.035
local terms energy: -58.020861
where:
bonds (distance) C4'-P energy: -14.175
bonds (distance) P-C4' energy: -13.699
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -5.604
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: 9, replica: 7
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -118.319132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.319132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.319132 (E_RNA)
where:
Base-Base interactions energy: -65.697
where: short stacking energy: -36.766
Base-Backbone interact. energy: -0.182
local terms energy: -52.439520
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -16.197
flat angles C4'-P-C4' energy: -10.345
flat angles P-C4'-P energy: -5.492
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: 10, replica: 8
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -81.583325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.583325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.583325 (E_RNA)
where:
Base-Base interactions energy: -25.669
where: short stacking energy: -22.877
Base-Backbone interact. energy: -0.273
local terms energy: -55.641074
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: -2.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -260.090476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.090476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.090476 (E_RNA)
where:
Base-Base interactions energy: -177.655
where: short stacking energy: -76.618
Base-Backbone interact. energy: -0.087
local terms energy: -82.349216
where:
bonds (distance) C4'-P energy: -18.181
bonds (distance) P-C4' energy: -14.795
flat angles C4'-P-C4' energy: -17.870
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -22.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -253.013321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.013321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.013321 (E_RNA)
where:
Base-Base interactions energy: -176.109
where: short stacking energy: -58.162
Base-Backbone interact. energy: -1.002
local terms energy: -75.901801
where:
bonds (distance) C4'-P energy: -16.596
bonds (distance) P-C4' energy: -15.696
flat angles C4'-P-C4' energy: -18.679
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -15.255
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: 6
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -252.752360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.752360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.752360 (E_RNA)
where:
Base-Base interactions energy: -168.038
where: short stacking energy: -79.237
Base-Backbone interact. energy: -0.182
local terms energy: -84.532375
where:
bonds (distance) C4'-P energy: -12.974
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -17.335
tors. eta vs tors. theta energy: -23.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -225.305145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.305145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.305145 (E_RNA)
where:
Base-Base interactions energy: -138.146
where: short stacking energy: -67.683
Base-Backbone interact. energy: -0.084
local terms energy: -87.075136
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -15.866
flat angles C4'-P-C4' energy: -21.721
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -23.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -235.203390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.203390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.203390 (E_RNA)
where:
Base-Base interactions energy: -159.161
where: short stacking energy: -73.069
Base-Backbone interact. energy: -0.047
local terms energy: -75.995255
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -14.717
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -10.478
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: 3
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -112.036579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.036579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.036579 (E_RNA)
where:
Base-Base interactions energy: -53.339
where: short stacking energy: -44.881
Base-Backbone interact. energy: 0.746
local terms energy: -59.443974
where:
bonds (distance) C4'-P energy: -10.311
bonds (distance) P-C4' energy: -17.201
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -10.226
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: 7, replica: 1
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -203.270345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.270345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.270345 (E_RNA)
where:
Base-Base interactions energy: -134.702
where: short stacking energy: -58.196
Base-Backbone interact. energy: -0.259
local terms energy: -68.308809
where:
bonds (distance) C4'-P energy: -14.551
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -11.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -99.071431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.071431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.071431 (E_RNA)
where:
Base-Base interactions energy: -39.530
where: short stacking energy: -25.785
Base-Backbone interact. energy: -1.218
local terms energy: -58.322628
where:
bonds (distance) C4'-P energy: -9.024
bonds (distance) P-C4' energy: -15.622
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -14.996
tors. eta vs tors. theta energy: -3.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -94.990477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.990477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.990477 (E_RNA)
where:
Base-Base interactions energy: -39.526
where: short stacking energy: -35.780
Base-Backbone interact. energy: -0.039
local terms energy: -55.425439
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -2.880
tors. eta vs tors. theta energy: -6.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -87.161616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.161616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.161616 (E_RNA)
where:
Base-Base interactions energy: -25.240
where: short stacking energy: -25.240
Base-Backbone interact. energy: 0.774
local terms energy: -62.696379
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -19.861
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -5.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -257.127570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.127570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.127570 (E_RNA)
where:
Base-Base interactions energy: -171.153
where: short stacking energy: -75.852
Base-Backbone interact. energy: -0.353
local terms energy: -85.621506
where:
bonds (distance) C4'-P energy: -18.516
bonds (distance) P-C4' energy: -20.817
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -20.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -261.136709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.136709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.136709 (E_RNA)
where:
Base-Base interactions energy: -170.008
where: short stacking energy: -80.049
Base-Backbone interact. energy: -0.037
local terms energy: -91.091430
where:
bonds (distance) C4'-P energy: -18.267
bonds (distance) P-C4' energy: -17.624
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -11.836
tors. eta vs tors. theta energy: -26.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -250.663778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.663778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.663778 (E_RNA)
where:
Base-Base interactions energy: -163.323
where: short stacking energy: -74.287
Base-Backbone interact. energy: -0.007
local terms energy: -87.334015
where:
bonds (distance) C4'-P energy: -18.463
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -13.757
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -26.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -212.902914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.902914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.902914 (E_RNA)
where:
Base-Base interactions energy: -137.633
where: short stacking energy: -56.917
Base-Backbone interact. energy: 0.757
local terms energy: -76.026463
where:
bonds (distance) C4'-P energy: -14.394
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -16.179
flat angles P-C4'-P energy: -11.954
tors. eta vs tors. theta energy: -16.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -218.692029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.692029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.692029 (E_RNA)
where:
Base-Base interactions energy: -145.196
where: short stacking energy: -75.523
Base-Backbone interact. energy: -0.090
local terms energy: -73.406153
where:
bonds (distance) C4'-P energy: -18.032
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -11.489
flat angles P-C4'-P energy: -10.064
tors. eta vs tors. theta energy: -19.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -104.893273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.893273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.893273 (E_RNA)
where:
Base-Base interactions energy: -47.963
where: short stacking energy: -31.902
Base-Backbone interact. energy: -0.413
local terms energy: -56.517876
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -18.890
flat angles C4'-P-C4' energy: -8.790
flat angles P-C4'-P energy: -6.284
tors. eta vs tors. theta energy: -7.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -209.457520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.457520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.457520 (E_RNA)
where:
Base-Base interactions energy: -138.044
where: short stacking energy: -64.379
Base-Backbone interact. energy: -0.003
local terms energy: -71.409919
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -17.188
flat angles P-C4'-P energy: -7.270
tors. eta vs tors. theta energy: -19.164
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: 7
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -96.150227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.150227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.150227 (E_RNA)
where:
Base-Base interactions energy: -41.328
where: short stacking energy: -36.751
Base-Backbone interact. energy: 1.551
local terms energy: -56.372978
where:
bonds (distance) C4'-P energy: -10.208
bonds (distance) P-C4' energy: -14.913
flat angles C4'-P-C4' energy: -12.314
flat angles P-C4'-P energy: -12.203
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: 8
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -84.598860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.598860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.598860 (E_RNA)
where:
Base-Base interactions energy: -30.124
where: short stacking energy: -30.124
Base-Backbone interact. energy: -0.325
local terms energy: -54.149852
where:
bonds (distance) C4'-P energy: -19.895
bonds (distance) P-C4' energy: -16.177
flat angles C4'-P-C4' energy: -11.629
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: 3.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -78.017699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.017699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.017699 (E_RNA)
where:
Base-Base interactions energy: -32.834
where: short stacking energy: -26.175
Base-Backbone interact. energy: -0.139
local terms energy: -45.045018
where:
bonds (distance) C4'-P energy: -17.844
bonds (distance) P-C4' energy: -17.325
flat angles C4'-P-C4' energy: -6.464
flat angles P-C4'-P energy: -6.936
tors. eta vs tors. theta energy: 3.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -253.656398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.656398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.656398 (E_RNA)
where:
Base-Base interactions energy: -173.166
where: short stacking energy: -74.132
Base-Backbone interact. energy: -0.469
local terms energy: -80.020789
where:
bonds (distance) C4'-P energy: -16.789
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -13.914
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: 2, replica: 2
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -257.010298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.010298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.010298 (E_RNA)
where:
Base-Base interactions energy: -167.448
where: short stacking energy: -78.727
Base-Backbone interact. energy: -0.423
local terms energy: -89.138751
where:
bonds (distance) C4'-P energy: -16.711
bonds (distance) P-C4' energy: -19.899
flat angles C4'-P-C4' energy: -17.269
flat angles P-C4'-P energy: -7.823
tors. eta vs tors. theta energy: -27.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -245.148208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.148208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.148208 (E_RNA)
where:
Base-Base interactions energy: -161.327
where: short stacking energy: -69.503
Base-Backbone interact. energy: -0.036
local terms energy: -83.784712
where:
bonds (distance) C4'-P energy: -17.726
bonds (distance) P-C4' energy: -15.472
flat angles C4'-P-C4' energy: -12.202
flat angles P-C4'-P energy: -12.254
tors. eta vs tors. theta energy: -26.132
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: 465
Temperature: 1.050000
Total energy: -241.183384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.183384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.183384 (E_RNA)
where:
Base-Base interactions energy: -157.961
where: short stacking energy: -75.197
Base-Backbone interact. energy: -0.109
local terms energy: -83.113181
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -15.723
flat angles C4'-P-C4' energy: -17.859
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -24.911
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: 4
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -211.895134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.895134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.895134 (E_RNA)
where:
Base-Base interactions energy: -135.641
where: short stacking energy: -64.103
Base-Backbone interact. energy: -0.045
local terms energy: -76.208574
where:
bonds (distance) C4'-P energy: -12.706
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -13.638
tors. eta vs tors. theta energy: -17.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -210.066833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.066833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.066833 (E_RNA)
where:
Base-Base interactions energy: -140.306
where: short stacking energy: -70.013
Base-Backbone interact. energy: -0.184
local terms energy: -69.576884
where:
bonds (distance) C4'-P energy: -7.768
bonds (distance) P-C4' energy: -18.397
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -7.849
tors. eta vs tors. theta energy: -18.439
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: 3
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -97.290165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.290165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.290165 (E_RNA)
where:
Base-Base interactions energy: -45.187
where: short stacking energy: -29.114
Base-Backbone interact. energy: -0.567
local terms energy: -51.536745
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -18.509
flat angles C4'-P-C4' energy: -10.003
flat angles P-C4'-P energy: -11.470
tors. eta vs tors. theta energy: 1.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -96.773753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.773753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.773753 (E_RNA)
where:
Base-Base interactions energy: -39.966
where: short stacking energy: -28.905
Base-Backbone interact. energy: -0.031
local terms energy: -56.777248
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -15.288
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -10.977
tors. eta vs tors. theta energy: -2.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -99.932550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.932550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.932550 (E_RNA)
where:
Base-Base interactions energy: -39.238
where: short stacking energy: -39.163
Base-Backbone interact. energy: -0.847
local terms energy: -59.847951
where:
bonds (distance) C4'-P energy: -14.026
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -12.776
tors. eta vs tors. theta energy: -3.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -99.616975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.616975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.616975 (E_RNA)
where:
Base-Base interactions energy: -57.567
where: short stacking energy: -27.154
Base-Backbone interact. energy: 0.806
local terms energy: -42.856438
where:
bonds (distance) C4'-P energy: -12.837
bonds (distance) P-C4' energy: -8.292
flat angles C4'-P-C4' energy: -9.698
flat angles P-C4'-P energy: -5.924
tors. eta vs tors. theta energy: -6.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -261.905885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.905885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.905885 (E_RNA)
where:
Base-Base interactions energy: -175.491
where: short stacking energy: -76.183
Base-Backbone interact. energy: -0.087
local terms energy: -86.327770
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -19.331
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -23.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -243.386711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.386711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.386711 (E_RNA)
where:
Base-Base interactions energy: -155.753
where: short stacking energy: -55.669
Base-Backbone interact. energy: -1.387
local terms energy: -86.246830
where:
bonds (distance) C4'-P energy: -19.139
bonds (distance) P-C4' energy: -17.011
flat angles C4'-P-C4' energy: -18.835
flat angles P-C4'-P energy: -12.298
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: 3, replica: 9
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -255.669339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.669339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.669339 (E_RNA)
where:
Base-Base interactions energy: -171.705
where: short stacking energy: -74.980
Base-Backbone interact. energy: -0.017
local terms energy: -83.947973
where:
bonds (distance) C4'-P energy: -14.858
bonds (distance) P-C4' energy: -17.745
flat angles C4'-P-C4' energy: -16.863
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: -26.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -234.850626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.850626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.850626 (E_RNA)
where:
Base-Base interactions energy: -157.734
where: short stacking energy: -67.129
Base-Backbone interact. energy: -0.441
local terms energy: -76.675022
where:
bonds (distance) C4'-P energy: -5.509
bonds (distance) P-C4' energy: -14.594
flat angles C4'-P-C4' energy: -20.838
flat angles P-C4'-P energy: -12.853
tors. eta vs tors. theta energy: -22.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -246.825573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.825573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.825573 (E_RNA)
where:
Base-Base interactions energy: -157.233
where: short stacking energy: -75.111
Base-Backbone interact. energy: -0.165
local terms energy: -89.428212
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -17.266
flat angles C4'-P-C4' energy: -17.448
flat angles P-C4'-P energy: -13.896
tors. eta vs tors. theta energy: -24.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -240.056803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.056803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.056803 (E_RNA)
where:
Base-Base interactions energy: -151.451
where: short stacking energy: -77.554
Base-Backbone interact. energy: -0.063
local terms energy: -88.542804
where:
bonds (distance) C4'-P energy: -18.040
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -18.706
flat angles P-C4'-P energy: -13.117
tors. eta vs tors. theta energy: -23.759
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: 7, replica: 8
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -102.876738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.876738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.876738 (E_RNA)
where:
Base-Base interactions energy: -42.477
where: short stacking energy: -38.729
Base-Backbone interact. energy: -0.021
local terms energy: -60.378847
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -19.280
flat angles P-C4'-P energy: -6.852
tors. eta vs tors. theta energy: -6.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -92.428444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.428444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.428444 (E_RNA)
where:
Base-Base interactions energy: -36.114
where: short stacking energy: -34.148
Base-Backbone interact. energy: -2.336
local terms energy: -53.977782
where:
bonds (distance) C4'-P energy: -9.189
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -6.497
tors. eta vs tors. theta energy: -4.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -92.613613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.613613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.613613 (E_RNA)
where:
Base-Base interactions energy: -38.085
where: short stacking energy: -30.190
Base-Backbone interact. energy: -0.076
local terms energy: -54.452348
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -9.960
flat angles C4'-P-C4' energy: -17.311
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: -5.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -79.778941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.778941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.778941 (E_RNA)
where:
Base-Base interactions energy: -24.522
where: short stacking energy: -9.259
Base-Backbone interact. energy: -1.584
local terms energy: -53.672274
where:
bonds (distance) C4'-P energy: -18.462
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -11.323
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: 4.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -257.785233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.785233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.785233 (E_RNA)
where:
Base-Base interactions energy: -168.703
where: short stacking energy: -73.590
Base-Backbone interact. energy: -0.029
local terms energy: -89.053076
where:
bonds (distance) C4'-P energy: -18.838
bonds (distance) P-C4' energy: -19.147
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -24.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -256.627656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.627656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.627656 (E_RNA)
where:
Base-Base interactions energy: -167.562
where: short stacking energy: -78.866
Base-Backbone interact. energy: -0.029
local terms energy: -89.036849
where:
bonds (distance) C4'-P energy: -17.056
bonds (distance) P-C4' energy: -17.500
flat angles C4'-P-C4' energy: -18.223
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -24.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -236.134951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.134951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.134951 (E_RNA)
where:
Base-Base interactions energy: -161.830
where: short stacking energy: -64.043
Base-Backbone interact. energy: 1.518
local terms energy: -75.822865
where:
bonds (distance) C4'-P energy: -18.135
bonds (distance) P-C4' energy: -18.921
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -6.137
tors. eta vs tors. theta energy: -17.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -241.577388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.577388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.577388 (E_RNA)
where:
Base-Base interactions energy: -153.137
where: short stacking energy: -72.287
Base-Backbone interact. energy: -0.052
local terms energy: -88.389014
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -17.825
flat angles P-C4'-P energy: -13.319
tors. eta vs tors. theta energy: -25.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -231.525506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.525506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.525506 (E_RNA)
where:
Base-Base interactions energy: -150.577
where: short stacking energy: -60.901
Base-Backbone interact. energy: -0.069
local terms energy: -80.879221
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -13.589
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: 6, replica: 4
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -241.133628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.133628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.133628 (E_RNA)
where:
Base-Base interactions energy: -164.151
where: short stacking energy: -71.284
Base-Backbone interact. energy: 0.007
local terms energy: -76.989702
where:
bonds (distance) C4'-P energy: -10.899
bonds (distance) P-C4' energy: -12.571
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -14.797
tors. eta vs tors. theta energy: -23.523
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: 8
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -102.814001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.814001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.814001 (E_RNA)
where:
Base-Base interactions energy: -39.578
where: short stacking energy: -38.168
Base-Backbone interact. energy: -0.002
local terms energy: -63.234176
where:
bonds (distance) C4'-P energy: -15.528
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -19.007
flat angles P-C4'-P energy: -4.827
tors. eta vs tors. theta energy: -9.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -90.651000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.651000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.651000 (E_RNA)
where:
Base-Base interactions energy: -30.773
where: short stacking energy: -24.111
Base-Backbone interact. energy: 1.059
local terms energy: -60.937379
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -19.136
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -11.424
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: 9, replica: 3
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -87.851007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.851007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.851007 (E_RNA)
where:
Base-Base interactions energy: -35.354
where: short stacking energy: -35.337
Base-Backbone interact. energy: -0.085
local terms energy: -52.412231
where:
bonds (distance) C4'-P energy: -7.516
bonds (distance) P-C4' energy: -9.587
flat angles C4'-P-C4' energy: -18.670
flat angles P-C4'-P energy: -12.189
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: 10, replica: 7
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -82.990361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.990361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.990361 (E_RNA)
where:
Base-Base interactions energy: -35.808
where: short stacking energy: -26.046
Base-Backbone interact. energy: -0.595
local terms energy: -46.588016
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -10.945
flat angles C4'-P-C4' energy: -10.213
flat angles P-C4'-P energy: -11.536
tors. eta vs tors. theta energy: -2.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -268.708728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.708728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.708728 (E_RNA)
where:
Base-Base interactions energy: -180.229
where: short stacking energy: -81.992
Base-Backbone interact. energy: -0.337
local terms energy: -88.142334
where:
bonds (distance) C4'-P energy: -18.156
bonds (distance) P-C4' energy: -18.346
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -26.082
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: 2, replica: 2
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -255.946709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.946709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.946709 (E_RNA)
where:
Base-Base interactions energy: -176.400
where: short stacking energy: -79.145
Base-Backbone interact. energy: -0.070
local terms energy: -79.477134
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -20.347
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -18.997
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: 10
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -236.004778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.004778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.004778 (E_RNA)
where:
Base-Base interactions energy: -165.035
where: short stacking energy: -63.257
Base-Backbone interact. energy: -0.300
local terms energy: -70.669218
where:
bonds (distance) C4'-P energy: -9.604
bonds (distance) P-C4' energy: -16.962
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -18.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -236.231606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.231606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.231606 (E_RNA)
where:
Base-Base interactions energy: -164.031
where: short stacking energy: -75.584
Base-Backbone interact. energy: -0.367
local terms energy: -71.833630
where:
bonds (distance) C4'-P energy: -10.479
bonds (distance) P-C4' energy: -12.686
flat angles C4'-P-C4' energy: -17.728
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -20.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -243.274367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.274367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.274367 (E_RNA)
where:
Base-Base interactions energy: -166.108
where: short stacking energy: -76.328
Base-Backbone interact. energy: -0.057
local terms energy: -77.109373
where:
bonds (distance) C4'-P energy: -15.603
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -8.879
tors. eta vs tors. theta energy: -22.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -233.385689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.385689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.385689 (E_RNA)
where:
Base-Base interactions energy: -158.930
where: short stacking energy: -74.039
Base-Backbone interact. energy: -0.072
local terms energy: -74.383503
where:
bonds (distance) C4'-P energy: -10.383
bonds (distance) P-C4' energy: -19.791
flat angles C4'-P-C4' energy: -10.811
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -23.361
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: 7, replica: 5
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -97.221253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.221253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.221253 (E_RNA)
where:
Base-Base interactions energy: -39.046
where: short stacking energy: -39.046
Base-Backbone interact. energy: -0.212
local terms energy: -57.962609
where:
bonds (distance) C4'-P energy: -9.635
bonds (distance) P-C4' energy: -12.438
flat angles C4'-P-C4' energy: -17.738
flat angles P-C4'-P energy: -12.080
tors. eta vs tors. theta energy: -6.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -93.883631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.883631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.883631 (E_RNA)
where:
Base-Base interactions energy: -42.983
where: short stacking energy: -33.946
Base-Backbone interact. energy: -1.130
local terms energy: -49.770462
where:
bonds (distance) C4'-P energy: -9.175
bonds (distance) P-C4' energy: -18.813
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -4.577
tors. eta vs tors. theta energy: -3.637
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: 7
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -89.102631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.102631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.102631 (E_RNA)
where:
Base-Base interactions energy: -25.830
where: short stacking energy: -22.960
Base-Backbone interact. energy: -0.654
local terms energy: -62.618182
where:
bonds (distance) C4'-P energy: -19.130
bonds (distance) P-C4' energy: -18.103
flat angles C4'-P-C4' energy: -12.012
flat angles P-C4'-P energy: -12.650
tors. eta vs tors. theta energy: -0.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -81.556376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.556376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.556376 (E_RNA)
where:
Base-Base interactions energy: -29.344
where: short stacking energy: -23.466
Base-Backbone interact. energy: -0.144
local terms energy: -52.067700
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -17.662
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -7.591
tors. eta vs tors. theta energy: 2.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -269.546845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.546845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.546845 (E_RNA)
where:
Base-Base interactions energy: -177.645
where: short stacking energy: -81.442
Base-Backbone interact. energy: -0.736
local terms energy: -91.165882
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -19.365
flat angles C4'-P-C4' energy: -18.757
flat angles P-C4'-P energy: -13.419
tors. eta vs tors. theta energy: -23.381
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: 2, replica: 2
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -252.021269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.021269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.021269 (E_RNA)
where:
Base-Base interactions energy: -173.602
where: short stacking energy: -73.140
Base-Backbone interact. energy: -0.035
local terms energy: -78.384047
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -15.896
flat angles P-C4'-P energy: -15.105
tors. eta vs tors. theta energy: -18.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -222.095392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.095392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.095392 (E_RNA)
where:
Base-Base interactions energy: -148.096
where: short stacking energy: -62.558
Base-Backbone interact. energy: 0.034
local terms energy: -74.033863
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -19.929
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -14.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -233.731022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.731022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.731022 (E_RNA)
where:
Base-Base interactions energy: -152.264
where: short stacking energy: -67.539
Base-Backbone interact. energy: -0.523
local terms energy: -80.943468
where:
bonds (distance) C4'-P energy: -16.466
bonds (distance) P-C4' energy: -15.183
flat angles C4'-P-C4' energy: -18.656
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -20.717
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: 5, replica: 1
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -227.613034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.613034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.613034 (E_RNA)
where:
Base-Base interactions energy: -155.894
where: short stacking energy: -74.236
Base-Backbone interact. energy: -0.390
local terms energy: -71.328936
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -17.635
flat angles C4'-P-C4' energy: -6.499
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -20.881
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: 6
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -217.918651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.918651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.918651 (E_RNA)
where:
Base-Base interactions energy: -142.227
where: short stacking energy: -56.230
Base-Backbone interact. energy: -0.135
local terms energy: -75.556855
where:
bonds (distance) C4'-P energy: -10.384
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -19.336
flat angles P-C4'-P energy: -8.210
tors. eta vs tors. theta energy: -22.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -101.925913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.925913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.925913 (E_RNA)
where:
Base-Base interactions energy: -49.759
where: short stacking energy: -33.174
Base-Backbone interact. energy: -0.298
local terms energy: -51.869112
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -12.404
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -8.773
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: 8, replica: 7
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -87.541914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.541914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.541914 (E_RNA)
where:
Base-Base interactions energy: -33.885
where: short stacking energy: -33.885
Base-Backbone interact. energy: -0.153
local terms energy: -53.503641
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -13.549
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -0.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -89.193230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.193230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.193230 (E_RNA)
where:
Base-Base interactions energy: -38.990
where: short stacking energy: -28.948
Base-Backbone interact. energy: 0.546
local terms energy: -50.749245
where:
bonds (distance) C4'-P energy: -8.754
bonds (distance) P-C4' energy: -17.875
flat angles C4'-P-C4' energy: -9.443
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -2.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -76.255487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.255487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.255487 (E_RNA)
where:
Base-Base interactions energy: -26.761
where: short stacking energy: -21.994
Base-Backbone interact. energy: -0.542
local terms energy: -48.952400
where:
bonds (distance) C4'-P energy: -17.646
bonds (distance) P-C4' energy: -12.414
flat angles C4'-P-C4' energy: -17.052
flat angles P-C4'-P energy: -4.322
tors. eta vs tors. theta energy: 2.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -257.084767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.084767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.084767 (E_RNA)
where:
Base-Base interactions energy: -168.348
where: short stacking energy: -83.693
Base-Backbone interact. energy: -0.074
local terms energy: -88.662592
where:
bonds (distance) C4'-P energy: -16.630
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -19.814
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: -23.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -259.527214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.527214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.527214 (E_RNA)
where:
Base-Base interactions energy: -173.156
where: short stacking energy: -79.740
Base-Backbone interact. energy: -0.007
local terms energy: -86.363902
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -16.935
flat angles P-C4'-P energy: -14.194
tors. eta vs tors. theta energy: -27.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -234.029970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.029970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.029970 (E_RNA)
where:
Base-Base interactions energy: -158.764
where: short stacking energy: -71.169
Base-Backbone interact. energy: -0.103
local terms energy: -75.163047
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: -17.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -223.280551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.280551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.280551 (E_RNA)
where:
Base-Base interactions energy: -141.342
where: short stacking energy: -64.411
Base-Backbone interact. energy: -0.252
local terms energy: -81.686788
where:
bonds (distance) C4'-P energy: -19.055
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -17.087
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -17.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -238.782767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.782767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.782767 (E_RNA)
where:
Base-Base interactions energy: -155.889
where: short stacking energy: -74.458
Base-Backbone interact. energy: 0.888
local terms energy: -83.781591
where:
bonds (distance) C4'-P energy: -16.832
bonds (distance) P-C4' energy: -16.376
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -14.817
tors. eta vs tors. theta energy: -22.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -240.113185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.113185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.113185 (E_RNA)
where:
Base-Base interactions energy: -160.677
where: short stacking energy: -80.901
Base-Backbone interact. energy: -0.001
local terms energy: -79.434319
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -14.028
flat angles C4'-P-C4' energy: -20.296
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -23.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -116.919330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.919330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.919330 (E_RNA)
where:
Base-Base interactions energy: -64.159
where: short stacking energy: -37.162
Base-Backbone interact. energy: -0.310
local terms energy: -52.451145
where:
bonds (distance) C4'-P energy: -17.621
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -9.043
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: -1.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -91.298661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.298661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.298661 (E_RNA)
where:
Base-Base interactions energy: -38.482
where: short stacking energy: -34.007
Base-Backbone interact. energy: -0.094
local terms energy: -52.722432
where:
bonds (distance) C4'-P energy: -12.498
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -5.931
tors. eta vs tors. theta energy: -5.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -83.462146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.462146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.462146 (E_RNA)
where:
Base-Base interactions energy: -31.665
where: short stacking energy: -24.123
Base-Backbone interact. energy: -0.171
local terms energy: -51.626434
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -11.949
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: 0.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -78.864348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.864348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.864348 (E_RNA)
where:
Base-Base interactions energy: -16.158
where: short stacking energy: -11.852
Base-Backbone interact. energy: -0.865
local terms energy: -61.840965
where:
bonds (distance) C4'-P energy: -12.191
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -14.894
tors. eta vs tors. theta energy: -3.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -263.584168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.584168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.584168 (E_RNA)
where:
Base-Base interactions energy: -170.482
where: short stacking energy: -84.921
Base-Backbone interact. energy: -0.007
local terms energy: -93.094842
where:
bonds (distance) C4'-P energy: -17.540
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -20.728
flat angles P-C4'-P energy: -15.290
tors. eta vs tors. theta energy: -25.402
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: 2
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -247.451270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.451270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.451270 (E_RNA)
where:
Base-Base interactions energy: -162.735
where: short stacking energy: -77.527
Base-Backbone interact. energy: -0.023
local terms energy: -84.693066
where:
bonds (distance) C4'-P energy: -12.771
bonds (distance) P-C4' energy: -17.670
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -12.546
tors. eta vs tors. theta energy: -26.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -242.524196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.524196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.524196 (E_RNA)
where:
Base-Base interactions energy: -163.017
where: short stacking energy: -74.469
Base-Backbone interact. energy: 0.237
local terms energy: -79.744627
where:
bonds (distance) C4'-P energy: -12.751
bonds (distance) P-C4' energy: -19.525
flat angles C4'-P-C4' energy: -19.485
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: -18.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -235.026035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.026035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.026035 (E_RNA)
where:
Base-Base interactions energy: -155.338
where: short stacking energy: -70.616
Base-Backbone interact. energy: 0.642
local terms energy: -80.330062
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -15.447
flat angles C4'-P-C4' energy: -16.933
flat angles P-C4'-P energy: -12.430
tors. eta vs tors. theta energy: -20.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -228.025038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.025038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.025038 (E_RNA)
where:
Base-Base interactions energy: -149.249
where: short stacking energy: -68.977
Base-Backbone interact. energy: -0.004
local terms energy: -78.771460
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -10.971
flat angles C4'-P-C4' energy: -20.496
flat angles P-C4'-P energy: -11.371
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: 6, replica: 6
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -224.503235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.503235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.503235 (E_RNA)
where:
Base-Base interactions energy: -145.341
where: short stacking energy: -60.372
Base-Backbone interact. energy: -0.241
local terms energy: -78.921080
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -16.624
flat angles C4'-P-C4' energy: -19.787
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -16.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -92.239507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.239507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.239507 (E_RNA)
where:
Base-Base interactions energy: -34.555
where: short stacking energy: -33.320
Base-Backbone interact. energy: -1.315
local terms energy: -56.369892
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -16.009
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -13.078
tors. eta vs tors. theta energy: 1.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -94.237802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.237802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.237802 (E_RNA)
where:
Base-Base interactions energy: -33.164
where: short stacking energy: -28.374
Base-Backbone interact. energy: 0.658
local terms energy: -61.731290
where:
bonds (distance) C4'-P energy: -16.906
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -13.247
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: 9, replica: 5
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -80.784654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.784654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.784654 (E_RNA)
where:
Base-Base interactions energy: -24.396
where: short stacking energy: -24.287
Base-Backbone interact. energy: 0.161
local terms energy: -56.549963
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -15.217
flat angles C4'-P-C4' energy: -10.655
flat angles P-C4'-P energy: -13.553
tors. eta vs tors. theta energy: -1.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -85.338955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.338955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.338955 (E_RNA)
where:
Base-Base interactions energy: -26.679
where: short stacking energy: -16.010
Base-Backbone interact. energy: -0.377
local terms energy: -58.282810
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -15.973
flat angles P-C4'-P energy: -12.369
tors. eta vs tors. theta energy: -0.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -265.763380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.763380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.763380 (E_RNA)
where:
Base-Base interactions energy: -168.822
where: short stacking energy: -81.199
Base-Backbone interact. energy: -0.617
local terms energy: -96.324132
where:
bonds (distance) C4'-P energy: -18.448
bonds (distance) P-C4' energy: -18.802
flat angles C4'-P-C4' energy: -18.995
flat angles P-C4'-P energy: -14.534
tors. eta vs tors. theta energy: -25.546
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: 2, replica: 2
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -249.767531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.767531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.767531 (E_RNA)
where:
Base-Base interactions energy: -162.295
where: short stacking energy: -72.264
Base-Backbone interact. energy: -0.081
local terms energy: -87.391699
where:
bonds (distance) C4'-P energy: -19.025
bonds (distance) P-C4' energy: -21.095
flat angles C4'-P-C4' energy: -17.161
flat angles P-C4'-P energy: -11.838
tors. eta vs tors. theta energy: -18.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -230.530339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.530339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.530339 (E_RNA)
where:
Base-Base interactions energy: -141.847
where: short stacking energy: -74.676
Base-Backbone interact. energy: -0.006
local terms energy: -88.676856
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -18.622
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -24.620
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: 472
Temperature: 1.050000
Total energy: -242.452133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.452133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.452133 (E_RNA)
where:
Base-Base interactions energy: -152.487
where: short stacking energy: -73.898
Base-Backbone interact. energy: -0.079
local terms energy: -89.885538
where:
bonds (distance) C4'-P energy: -19.403
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -18.126
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -24.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -211.656640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.656640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.656640 (E_RNA)
where:
Base-Base interactions energy: -134.567
where: short stacking energy: -64.490
Base-Backbone interact. energy: 0.039
local terms energy: -77.128306
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -17.996
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -18.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -225.964589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.964589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.964589 (E_RNA)
where:
Base-Base interactions energy: -149.237
where: short stacking energy: -65.714
Base-Backbone interact. energy: -0.009
local terms energy: -76.718138
where:
bonds (distance) C4'-P energy: -18.856
bonds (distance) P-C4' energy: -12.454
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -19.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -94.411066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.411066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.411066 (E_RNA)
where:
Base-Base interactions energy: -35.695
where: short stacking energy: -35.695
Base-Backbone interact. energy: -0.112
local terms energy: -58.604834
where:
bonds (distance) C4'-P energy: -10.543
bonds (distance) P-C4' energy: -20.147
flat angles C4'-P-C4' energy: -10.586
flat angles P-C4'-P energy: -12.988
tors. eta vs tors. theta energy: -4.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -107.825160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.825160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.825160 (E_RNA)
where:
Base-Base interactions energy: -53.519
where: short stacking energy: -32.180
Base-Backbone interact. energy: -0.204
local terms energy: -54.102028
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: -3.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -87.655429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.655429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.655429 (E_RNA)
where:
Base-Base interactions energy: -33.397
where: short stacking energy: -28.158
Base-Backbone interact. energy: 0.093
local terms energy: -54.351384
where:
bonds (distance) C4'-P energy: -14.734
bonds (distance) P-C4' energy: -20.415
flat angles C4'-P-C4' energy: -11.506
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: 0.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -84.311071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.311071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.311071 (E_RNA)
where:
Base-Base interactions energy: -29.003
where: short stacking energy: -14.022
Base-Backbone interact. energy: -0.580
local terms energy: -54.728095
where:
bonds (distance) C4'-P energy: -16.906
bonds (distance) P-C4' energy: -17.468
flat angles C4'-P-C4' energy: -7.228
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -2.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -263.551472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.551472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.551472 (E_RNA)
where:
Base-Base interactions energy: -169.256
where: short stacking energy: -75.541
Base-Backbone interact. energy: -0.378
local terms energy: -93.917144
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -17.822
flat angles C4'-P-C4' energy: -21.118
flat angles P-C4'-P energy: -14.184
tors. eta vs tors. theta energy: -23.289
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: 473
Temperature: 0.950000
Total energy: -256.717748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.717748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.717748 (E_RNA)
where:
Base-Base interactions energy: -168.714
where: short stacking energy: -81.689
Base-Backbone interact. energy: -0.018
local terms energy: -87.985405
where:
bonds (distance) C4'-P energy: -17.311
bonds (distance) P-C4' energy: -19.528
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -22.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -244.413256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.413256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.413256 (E_RNA)
where:
Base-Base interactions energy: -158.528
where: short stacking energy: -79.641
Base-Backbone interact. energy: -0.014
local terms energy: -85.870989
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -16.295
flat angles C4'-P-C4' energy: -18.936
flat angles P-C4'-P energy: -11.285
tors. eta vs tors. theta energy: -24.227
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: 4, replica: 4
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -240.136886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.136886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.136886 (E_RNA)
where:
Base-Base interactions energy: -160.288
where: short stacking energy: -65.198
Base-Backbone interact. energy: -0.126
local terms energy: -79.723124
where:
bonds (distance) C4'-P energy: -17.154
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -12.041
flat angles P-C4'-P energy: -12.740
tors. eta vs tors. theta energy: -20.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -222.132535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.132535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.132535 (E_RNA)
where:
Base-Base interactions energy: -141.495
where: short stacking energy: -69.721
Base-Backbone interact. energy: -0.179
local terms energy: -80.458834
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -21.938
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: 6, replica: 10
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -215.741517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.741517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.741517 (E_RNA)
where:
Base-Base interactions energy: -142.042
where: short stacking energy: -60.876
Base-Backbone interact. energy: -0.187
local terms energy: -73.512151
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -9.274
tors. eta vs tors. theta energy: -17.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -103.290608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.290608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.290608 (E_RNA)
where:
Base-Base interactions energy: -37.389
where: short stacking energy: -37.389
Base-Backbone interact. energy: -0.115
local terms energy: -65.787074
where:
bonds (distance) C4'-P energy: -18.057
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -11.626
flat angles P-C4'-P energy: -13.887
tors. eta vs tors. theta energy: -3.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -85.581161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.581161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.581161 (E_RNA)
where:
Base-Base interactions energy: -44.646
where: short stacking energy: -35.663
Base-Backbone interact. energy: -0.238
local terms energy: -40.696888
where:
bonds (distance) C4'-P energy: -12.375
bonds (distance) P-C4' energy: -7.374
flat angles C4'-P-C4' energy: -11.660
flat angles P-C4'-P energy: -7.576
tors. eta vs tors. theta energy: -1.711
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: 9, replica: 7
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -100.447425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.447425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.447425 (E_RNA)
where:
Base-Base interactions energy: -37.231
where: short stacking energy: -33.365
Base-Backbone interact. energy: -0.086
local terms energy: -63.130401
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -14.531
flat angles C4'-P-C4' energy: -17.632
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -5.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -77.871235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.871235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.871235 (E_RNA)
where:
Base-Base interactions energy: -17.552
where: short stacking energy: -17.440
Base-Backbone interact. energy: 0.000
local terms energy: -60.320051
where:
bonds (distance) C4'-P energy: -18.633
bonds (distance) P-C4' energy: -17.389
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -12.984
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: 9
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -270.971959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.971959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.971959 (E_RNA)
where:
Base-Base interactions energy: -174.517
where: short stacking energy: -82.792
Base-Backbone interact. energy: 0.109
local terms energy: -96.563556
where:
bonds (distance) C4'-P energy: -16.812
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -18.508
flat angles P-C4'-P energy: -16.076
tors. eta vs tors. theta energy: -27.299
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: 2
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -257.807558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.807558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.807558 (E_RNA)
where:
Base-Base interactions energy: -168.030
where: short stacking energy: -77.745
Base-Backbone interact. energy: -0.011
local terms energy: -89.765573
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -18.762
flat angles P-C4'-P energy: -12.206
tors. eta vs tors. theta energy: -24.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -248.488905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.488905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.488905 (E_RNA)
where:
Base-Base interactions energy: -165.167
where: short stacking energy: -75.003
Base-Backbone interact. energy: -0.239
local terms energy: -83.082745
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -10.440
flat angles C4'-P-C4' energy: -19.002
flat angles P-C4'-P energy: -12.411
tors. eta vs tors. theta energy: -24.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -232.254554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.254554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.254554 (E_RNA)
where:
Base-Base interactions energy: -147.381
where: short stacking energy: -73.420
Base-Backbone interact. energy: -0.010
local terms energy: -84.863437
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -15.570
flat angles C4'-P-C4' energy: -18.864
flat angles P-C4'-P energy: -12.268
tors. eta vs tors. theta energy: -23.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -224.917537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.917537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.917537 (E_RNA)
where:
Base-Base interactions energy: -145.684
where: short stacking energy: -76.525
Base-Backbone interact. energy: 0.234
local terms energy: -79.467620
where:
bonds (distance) C4'-P energy: -9.284
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -17.795
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: -23.546
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: 6
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -220.413934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.413934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.413934 (E_RNA)
where:
Base-Base interactions energy: -138.272
where: short stacking energy: -64.141
Base-Backbone interact. energy: -0.166
local terms energy: -81.975649
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -18.026
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -13.584
tors. eta vs tors. theta energy: -17.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -101.890701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.890701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.890701 (E_RNA)
where:
Base-Base interactions energy: -45.979
where: short stacking energy: -36.864
Base-Backbone interact. energy: -0.411
local terms energy: -55.500387
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -11.220
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -2.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -98.671823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.671823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.671823 (E_RNA)
where:
Base-Base interactions energy: -38.620
where: short stacking energy: -38.620
Base-Backbone interact. energy: -0.373
local terms energy: -59.678899
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -5.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -94.293062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.293062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.293062 (E_RNA)
where:
Base-Base interactions energy: -30.642
where: short stacking energy: -30.642
Base-Backbone interact. energy: -0.105
local terms energy: -63.545983
where:
bonds (distance) C4'-P energy: -18.629
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -16.572
flat angles P-C4'-P energy: -7.270
tors. eta vs tors. theta energy: -7.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -77.964994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.964994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.964994 (E_RNA)
where:
Base-Base interactions energy: -27.278
where: short stacking energy: -24.222
Base-Backbone interact. energy: -0.342
local terms energy: -50.344699
where:
bonds (distance) C4'-P energy: -9.282
bonds (distance) P-C4' energy: -18.601
flat angles C4'-P-C4' energy: -18.172
flat angles P-C4'-P energy: -6.725
tors. eta vs tors. theta energy: 2.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -264.360111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.360111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.360111 (E_RNA)
where:
Base-Base interactions energy: -171.230
where: short stacking energy: -83.505
Base-Backbone interact. energy: -0.026
local terms energy: -93.104716
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -17.933
flat angles C4'-P-C4' energy: -17.529
flat angles P-C4'-P energy: -15.677
tors. eta vs tors. theta energy: -26.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -249.613107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.613107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.613107 (E_RNA)
where:
Base-Base interactions energy: -159.099
where: short stacking energy: -73.331
Base-Backbone interact. energy: -0.139
local terms energy: -90.375192
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -14.409
tors. eta vs tors. theta energy: -26.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -258.148958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.148958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.148958 (E_RNA)
where:
Base-Base interactions energy: -169.700
where: short stacking energy: -82.127
Base-Backbone interact. energy: -2.396
local terms energy: -86.053053
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -26.164
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: 4, replica: 10
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -248.929232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.929232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.929232 (E_RNA)
where:
Base-Base interactions energy: -170.033
where: short stacking energy: -78.868
Base-Backbone interact. energy: -0.582
local terms energy: -78.313997
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -9.118
flat angles C4'-P-C4' energy: -20.679
flat angles P-C4'-P energy: -11.078
tors. eta vs tors. theta energy: -25.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -219.397341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.397341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.397341 (E_RNA)
where:
Base-Base interactions energy: -142.474
where: short stacking energy: -68.433
Base-Backbone interact. energy: -0.317
local terms energy: -76.605560
where:
bonds (distance) C4'-P energy: -18.553
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -17.010
flat angles P-C4'-P energy: -6.240
tors. eta vs tors. theta energy: -19.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -220.558173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.558173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.558173 (E_RNA)
where:
Base-Base interactions energy: -147.205
where: short stacking energy: -67.678
Base-Backbone interact. energy: -0.007
local terms energy: -73.345897
where:
bonds (distance) C4'-P energy: -8.498
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -14.537
tors. eta vs tors. theta energy: -18.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -106.539368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.539368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.539368 (E_RNA)
where:
Base-Base interactions energy: -36.103
where: short stacking energy: -31.037
Base-Backbone interact. energy: -0.280
local terms energy: -70.156661
where:
bonds (distance) C4'-P energy: -15.864
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -17.995
flat angles P-C4'-P energy: -13.635
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: 8, replica: 5
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -91.760268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.760268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.760268 (E_RNA)
where:
Base-Base interactions energy: -31.354
where: short stacking energy: -31.354
Base-Backbone interact. energy: -0.056
local terms energy: -60.349919
where:
bonds (distance) C4'-P energy: -18.053
bonds (distance) P-C4' energy: -20.313
flat angles C4'-P-C4' energy: -10.347
flat angles P-C4'-P energy: -3.955
tors. eta vs tors. theta energy: -7.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -78.120822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.120822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.120822 (E_RNA)
where:
Base-Base interactions energy: -27.068
where: short stacking energy: -26.176
Base-Backbone interact. energy: -0.148
local terms energy: -50.905515
where:
bonds (distance) C4'-P energy: -11.907
bonds (distance) P-C4' energy: -13.659
flat angles C4'-P-C4' energy: -11.537
flat angles P-C4'-P energy: -6.721
tors. eta vs tors. theta energy: -7.082
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: 7
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -76.864663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.864663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.864663 (E_RNA)
where:
Base-Base interactions energy: -38.945
where: short stacking energy: -28.204
Base-Backbone interact. energy: -2.043
local terms energy: -35.877611
where:
bonds (distance) C4'-P energy: -8.427
bonds (distance) P-C4' energy: -10.322
flat angles C4'-P-C4' energy: -6.486
flat angles P-C4'-P energy: -7.782
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: 1, replica: 2
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -264.433216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.433216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.433216 (E_RNA)
where:
Base-Base interactions energy: -170.261
where: short stacking energy: -86.543
Base-Backbone interact. energy: -0.006
local terms energy: -94.166131
where:
bonds (distance) C4'-P energy: -18.637
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -19.581
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -26.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -261.116752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.116752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.116752 (E_RNA)
where:
Base-Base interactions energy: -173.583
where: short stacking energy: -80.486
Base-Backbone interact. energy: -0.322
local terms energy: -87.211677
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -18.374
flat angles C4'-P-C4' energy: -18.820
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: -25.373
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: 10
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -239.759458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.759458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.759458 (E_RNA)
where:
Base-Base interactions energy: -155.224
where: short stacking energy: -69.892
Base-Backbone interact. energy: -0.012
local terms energy: -84.523151
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -17.938
flat angles C4'-P-C4' energy: -18.081
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -23.428
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: 4
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -237.968659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.968659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.968659 (E_RNA)
where:
Base-Base interactions energy: -155.511
where: short stacking energy: -79.852
Base-Backbone interact. energy: -0.105
local terms energy: -82.352473
where:
bonds (distance) C4'-P energy: -16.354
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -19.488
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -23.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -219.913821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.913821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.913821 (E_RNA)
where:
Base-Base interactions energy: -135.404
where: short stacking energy: -68.703
Base-Backbone interact. energy: -0.209
local terms energy: -84.300771
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -17.955
flat angles C4'-P-C4' energy: -18.862
flat angles P-C4'-P energy: -13.375
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: 6, replica: 1
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -234.029981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.029981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.029981 (E_RNA)
where:
Base-Base interactions energy: -150.763
where: short stacking energy: -72.494
Base-Backbone interact. energy: -0.303
local terms energy: -82.963771
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -11.438
flat angles C4'-P-C4' energy: -19.546
flat angles P-C4'-P energy: -12.307
tors. eta vs tors. theta energy: -22.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -91.568168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.568168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.568168 (E_RNA)
where:
Base-Base interactions energy: -38.043
where: short stacking energy: -28.516
Base-Backbone interact. energy: -0.948
local terms energy: -52.576482
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -12.916
flat angles C4'-P-C4' energy: -19.949
flat angles P-C4'-P energy: -2.886
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: 8, replica: 3
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -104.517123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.517123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.517123 (E_RNA)
where:
Base-Base interactions energy: -44.961
where: short stacking energy: -40.416
Base-Backbone interact. energy: -0.693
local terms energy: -58.862996
where:
bonds (distance) C4'-P energy: -8.972
bonds (distance) P-C4' energy: -15.873
flat angles C4'-P-C4' energy: -12.464
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -10.569
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: 8
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -91.027840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.027840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.027840 (E_RNA)
where:
Base-Base interactions energy: -29.820
where: short stacking energy: -29.820
Base-Backbone interact. energy: -0.852
local terms energy: -60.355513
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -4.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -81.644978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.644978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.644978 (E_RNA)
where:
Base-Base interactions energy: -27.434
where: short stacking energy: -25.741
Base-Backbone interact. energy: -0.161
local terms energy: -54.050489
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -14.583
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -8.328
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: 1, replica: 2
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -260.872408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.872408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.872408 (E_RNA)
where:
Base-Base interactions energy: -168.091
where: short stacking energy: -80.643
Base-Backbone interact. energy: -0.002
local terms energy: -92.778914
where:
bonds (distance) C4'-P energy: -15.544
bonds (distance) P-C4' energy: -19.976
flat angles C4'-P-C4' energy: -18.038
flat angles P-C4'-P energy: -14.024
tors. eta vs tors. theta energy: -25.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -255.755615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.755615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.755615 (E_RNA)
where:
Base-Base interactions energy: -164.931
where: short stacking energy: -74.902
Base-Backbone interact. energy: -2.155
local terms energy: -88.668773
where:
bonds (distance) C4'-P energy: -17.330
bonds (distance) P-C4' energy: -20.852
flat angles C4'-P-C4' energy: -17.465
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -24.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -245.456583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.456583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.456583 (E_RNA)
where:
Base-Base interactions energy: -158.015
where: short stacking energy: -75.689
Base-Backbone interact. energy: -0.011
local terms energy: -87.430480
where:
bonds (distance) C4'-P energy: -18.767
bonds (distance) P-C4' energy: -19.055
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -13.325
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: 4, replica: 4
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -244.218966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.218966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.218966 (E_RNA)
where:
Base-Base interactions energy: -160.216
where: short stacking energy: -74.789
Base-Backbone interact. energy: -0.024
local terms energy: -83.978884
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -14.783
tors. eta vs tors. theta energy: -21.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -228.993978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.993978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.993978 (E_RNA)
where:
Base-Base interactions energy: -153.872
where: short stacking energy: -74.194
Base-Backbone interact. energy: -0.452
local terms energy: -74.670302
where:
bonds (distance) C4'-P energy: -11.527
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -12.319
tors. eta vs tors. theta energy: -19.316
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: 1
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -223.970894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.970894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.970894 (E_RNA)
where:
Base-Base interactions energy: -150.375
where: short stacking energy: -67.450
Base-Backbone interact. energy: -0.295
local terms energy: -73.301423
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -11.947
flat angles C4'-P-C4' energy: -18.115
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -18.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -92.068677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.068677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.068677 (E_RNA)
where:
Base-Base interactions energy: -31.832
where: short stacking energy: -30.681
Base-Backbone interact. energy: -0.240
local terms energy: -59.996998
where:
bonds (distance) C4'-P energy: -10.771
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -18.078
flat angles P-C4'-P energy: -5.561
tors. eta vs tors. theta energy: -7.247
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: 3
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -92.096563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.096563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.096563 (E_RNA)
where:
Base-Base interactions energy: -30.840
where: short stacking energy: -29.051
Base-Backbone interact. energy: -1.812
local terms energy: -59.444773
where:
bonds (distance) C4'-P energy: -19.575
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -9.824
flat angles P-C4'-P energy: -6.045
tors. eta vs tors. theta energy: -5.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -77.410514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.410514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.410514 (E_RNA)
where:
Base-Base interactions energy: -28.952
where: short stacking energy: -19.935
Base-Backbone interact. energy: -0.275
local terms energy: -48.183241
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -16.859
flat angles C4'-P-C4' energy: -8.814
flat angles P-C4'-P energy: -8.948
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: 10, replica: 7
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -77.118781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.118781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.118781 (E_RNA)
where:
Base-Base interactions energy: -23.402
where: short stacking energy: -19.492
Base-Backbone interact. energy: -0.915
local terms energy: -52.801369
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -16.254
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: 1.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -255.099721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.099721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.099721 (E_RNA)
where:
Base-Base interactions energy: -168.086
where: short stacking energy: -85.213
Base-Backbone interact. energy: -0.030
local terms energy: -86.983397
where:
bonds (distance) C4'-P energy: -17.129
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -19.059
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -24.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -255.427345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.427345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.427345 (E_RNA)
where:
Base-Base interactions energy: -169.704
where: short stacking energy: -82.981
Base-Backbone interact. energy: 1.638
local terms energy: -87.360874
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -17.781
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -26.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -260.412902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.412902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.412902 (E_RNA)
where:
Base-Base interactions energy: -170.941
where: short stacking energy: -82.218
Base-Backbone interact. energy: -0.169
local terms energy: -89.303408
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -18.536
flat angles P-C4'-P energy: -11.705
tors. eta vs tors. theta energy: -27.320
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: 10
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -246.401119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.401119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.401119 (E_RNA)
where:
Base-Base interactions energy: -161.909
where: short stacking energy: -79.326
Base-Backbone interact. energy: -0.305
local terms energy: -84.186441
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -16.986
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -21.649
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: 5, replica: 6
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -226.169542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.169542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.169542 (E_RNA)
where:
Base-Base interactions energy: -142.320
where: short stacking energy: -70.268
Base-Backbone interact. energy: 0.097
local terms energy: -83.947091
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -19.250
flat angles P-C4'-P energy: -13.640
tors. eta vs tors. theta energy: -20.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -203.664285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.664285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.664285 (E_RNA)
where:
Base-Base interactions energy: -134.804
where: short stacking energy: -65.894
Base-Backbone interact. energy: -0.078
local terms energy: -68.781501
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -8.294
flat angles P-C4'-P energy: -15.020
tors. eta vs tors. theta energy: -18.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -92.609938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.609938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.609938 (E_RNA)
where:
Base-Base interactions energy: -33.752
where: short stacking energy: -30.778
Base-Backbone interact. energy: -0.220
local terms energy: -58.637495
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -17.855
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -1.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -109.864500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.864500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.864500 (E_RNA)
where:
Base-Base interactions energy: -54.662
where: short stacking energy: -29.893
Base-Backbone interact. energy: 0.372
local terms energy: -55.575135
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -17.666
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -4.815
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: 9, replica: 7
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -81.175850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.175850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.175850 (E_RNA)
where:
Base-Base interactions energy: -26.901
where: short stacking energy: -22.792
Base-Backbone interact. energy: 0.062
local terms energy: -54.336799
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -17.958
flat angles C4'-P-C4' energy: -13.409
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -0.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -86.370201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.370201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.370201 (E_RNA)
where:
Base-Base interactions energy: -34.470
where: short stacking energy: -34.470
Base-Backbone interact. energy: -0.387
local terms energy: -51.512563
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -16.208
flat angles C4'-P-C4' energy: -10.989
flat angles P-C4'-P energy: -11.982
tors. eta vs tors. theta energy: -1.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -260.084408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.084408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.084408 (E_RNA)
where:
Base-Base interactions energy: -164.039
where: short stacking energy: -81.446
Base-Backbone interact. energy: -0.085
local terms energy: -95.960343
where:
bonds (distance) C4'-P energy: -18.785
bonds (distance) P-C4' energy: -19.739
flat angles C4'-P-C4' energy: -19.899
flat angles P-C4'-P energy: -12.937
tors. eta vs tors. theta energy: -24.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -260.672975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.672975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.672975 (E_RNA)
where:
Base-Base interactions energy: -172.457
where: short stacking energy: -80.496
Base-Backbone interact. energy: -0.014
local terms energy: -88.201565
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -19.619
flat angles C4'-P-C4' energy: -16.019
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -24.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -248.426165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.426165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.426165 (E_RNA)
where:
Base-Base interactions energy: -160.127
where: short stacking energy: -74.064
Base-Backbone interact. energy: 0.022
local terms energy: -88.321570
where:
bonds (distance) C4'-P energy: -19.870
bonds (distance) P-C4' energy: -17.875
flat angles C4'-P-C4' energy: -18.865
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -23.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -244.719421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.719421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.719421 (E_RNA)
where:
Base-Base interactions energy: -163.369
where: short stacking energy: -65.458
Base-Backbone interact. energy: -0.041
local terms energy: -81.309503
where:
bonds (distance) C4'-P energy: -13.957
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -14.002
tors. eta vs tors. theta energy: -20.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -214.178902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.178902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.178902 (E_RNA)
where:
Base-Base interactions energy: -135.668
where: short stacking energy: -58.601
Base-Backbone interact. energy: -0.019
local terms energy: -78.492271
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -14.640
flat angles C4'-P-C4' energy: -16.306
flat angles P-C4'-P energy: -9.095
tors. eta vs tors. theta energy: -21.505
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: 1
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -210.734049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.734049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.734049 (E_RNA)
where:
Base-Base interactions energy: -136.830
where: short stacking energy: -63.280
Base-Backbone interact. energy: -0.800
local terms energy: -73.104105
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -18.393
flat angles P-C4'-P energy: -7.730
tors. eta vs tors. theta energy: -17.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -104.600608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.600608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.600608 (E_RNA)
where:
Base-Base interactions energy: -45.215
where: short stacking energy: -44.230
Base-Backbone interact. energy: -0.352
local terms energy: -59.033587
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -1.727
tors. eta vs tors. theta energy: -5.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -95.552685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.552685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.552685 (E_RNA)
where:
Base-Base interactions energy: -33.252
where: short stacking energy: -30.722
Base-Backbone interact. energy: -0.046
local terms energy: -62.254871
where:
bonds (distance) C4'-P energy: -15.751
bonds (distance) P-C4' energy: -19.346
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -8.269
tors. eta vs tors. theta energy: -3.981
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: 7
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -93.989640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.989640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.989640 (E_RNA)
where:
Base-Base interactions energy: -36.697
where: short stacking energy: -33.096
Base-Backbone interact. energy: -0.177
local terms energy: -57.115663
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -17.067
flat angles P-C4'-P energy: -1.292
tors. eta vs tors. theta energy: -9.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -74.381344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.381344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.381344 (E_RNA)
where:
Base-Base interactions energy: -30.643
where: short stacking energy: -27.194
Base-Backbone interact. energy: 2.276
local terms energy: -46.013905
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -10.822
flat angles C4'-P-C4' energy: -10.617
flat angles P-C4'-P energy: -10.149
tors. eta vs tors. theta energy: 0.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -255.645741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.645741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.645741 (E_RNA)
where:
Base-Base interactions energy: -171.582
where: short stacking energy: -81.255
Base-Backbone interact. energy: -0.009
local terms energy: -84.054665
where:
bonds (distance) C4'-P energy: -16.949
bonds (distance) P-C4' energy: -10.639
flat angles C4'-P-C4' energy: -16.923
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: -28.111
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: 9
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -261.927019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.927019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.927019 (E_RNA)
where:
Base-Base interactions energy: -178.647
where: short stacking energy: -77.219
Base-Backbone interact. energy: 0.531
local terms energy: -83.811274
where:
bonds (distance) C4'-P energy: -16.936
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -5.755
tors. eta vs tors. theta energy: -27.137
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: 3, replica: 10
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -252.777868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.777868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.777868 (E_RNA)
where:
Base-Base interactions energy: -165.952
where: short stacking energy: -75.969
Base-Backbone interact. energy: 0.620
local terms energy: -87.445238
where:
bonds (distance) C4'-P energy: -10.447
bonds (distance) P-C4' energy: -19.908
flat angles C4'-P-C4' energy: -20.192
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -24.446
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: 4, replica: 2
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -239.003931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.003931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.003931 (E_RNA)
where:
Base-Base interactions energy: -155.905
where: short stacking energy: -78.577
Base-Backbone interact. energy: -0.358
local terms energy: -82.740913
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -15.572
tors. eta vs tors. theta energy: -23.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -221.983082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.983082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.983082 (E_RNA)
where:
Base-Base interactions energy: -142.176
where: short stacking energy: -76.412
Base-Backbone interact. energy: -0.623
local terms energy: -79.184093
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -17.304
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -18.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -215.538509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.538509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.538509 (E_RNA)
where:
Base-Base interactions energy: -135.059
where: short stacking energy: -61.668
Base-Backbone interact. energy: -0.333
local terms energy: -80.146562
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -17.176
flat angles P-C4'-P energy: -12.638
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: 7, replica: 5
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -130.954632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.954632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.954632 (E_RNA)
where:
Base-Base interactions energy: -54.248
where: short stacking energy: -39.518
Base-Backbone interact. energy: -0.684
local terms energy: -76.021979
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -21.062
flat angles P-C4'-P energy: -13.051
tors. eta vs tors. theta energy: -8.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -97.789016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.789016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.789016 (E_RNA)
where:
Base-Base interactions energy: -37.366
where: short stacking energy: -37.366
Base-Backbone interact. energy: 0.402
local terms energy: -60.824970
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -16.833
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -7.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -87.328421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.328421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.328421 (E_RNA)
where:
Base-Base interactions energy: -33.776
where: short stacking energy: -22.890
Base-Backbone interact. energy: -0.222
local terms energy: -53.330297
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -18.852
flat angles C4'-P-C4' energy: -6.767
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -1.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -73.864535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.864535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.864535 (E_RNA)
where:
Base-Base interactions energy: -19.463
where: short stacking energy: -19.463
Base-Backbone interact. energy: -0.217
local terms energy: -54.184233
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -3.555
tors. eta vs tors. theta energy: -4.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -278.183940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.183940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.183940 (E_RNA)
where:
Base-Base interactions energy: -187.713
where: short stacking energy: -90.974
Base-Backbone interact. energy: -0.012
local terms energy: -90.458292
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -19.221
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -13.204
tors. eta vs tors. theta energy: -27.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -263.416719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.416719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.416719 (E_RNA)
where:
Base-Base interactions energy: -171.919
where: short stacking energy: -81.502
Base-Backbone interact. energy: -0.059
local terms energy: -91.438689
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -19.337
flat angles C4'-P-C4' energy: -19.033
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -26.093
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: 9
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -243.736466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.736466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.736466 (E_RNA)
where:
Base-Base interactions energy: -154.947
where: short stacking energy: -70.488
Base-Backbone interact. energy: -0.289
local terms energy: -88.501309
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -18.234
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -25.671
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: 2
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -246.232936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.232936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.232936 (E_RNA)
where:
Base-Base interactions energy: -154.062
where: short stacking energy: -73.271
Base-Backbone interact. energy: -0.256
local terms energy: -91.914746
where:
bonds (distance) C4'-P energy: -16.538
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -17.377
flat angles P-C4'-P energy: -14.384
tors. eta vs tors. theta energy: -26.765
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: 5, replica: 1
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -221.467222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.467222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.467222 (E_RNA)
where:
Base-Base interactions energy: -142.455
where: short stacking energy: -66.235
Base-Backbone interact. energy: -2.484
local terms energy: -76.528356
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -13.836
tors. eta vs tors. theta energy: -20.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -211.033655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.033655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.033655 (E_RNA)
where:
Base-Base interactions energy: -131.331
where: short stacking energy: -69.898
Base-Backbone interact. energy: -0.152
local terms energy: -79.550847
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -17.752
flat angles P-C4'-P energy: -11.622
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: 7, replica: 5
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -91.927917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.927917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.927917 (E_RNA)
where:
Base-Base interactions energy: -29.414
where: short stacking energy: -31.314
Base-Backbone interact. energy: -1.156
local terms energy: -61.358196
where:
bonds (distance) C4'-P energy: -18.052
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -1.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -97.245812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.245812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.245812 (E_RNA)
where:
Base-Base interactions energy: -39.249
where: short stacking energy: -35.724
Base-Backbone interact. energy: -0.175
local terms energy: -57.821959
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -16.368
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -5.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -89.859442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.859442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.859442 (E_RNA)
where:
Base-Base interactions energy: -33.224
where: short stacking energy: -30.928
Base-Backbone interact. energy: -0.016
local terms energy: -56.619498
where:
bonds (distance) C4'-P energy: -9.434
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -10.955
tors. eta vs tors. theta energy: -6.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -84.818124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.818124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.818124 (E_RNA)
where:
Base-Base interactions energy: -31.718
where: short stacking energy: -29.462
Base-Backbone interact. energy: -0.092
local terms energy: -53.007788
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -18.761
flat angles C4'-P-C4' energy: -8.632
flat angles P-C4'-P energy: -11.256
tors. eta vs tors. theta energy: -2.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -263.539198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.539198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.539198 (E_RNA)
where:
Base-Base interactions energy: -173.693
where: short stacking energy: -83.594
Base-Backbone interact. energy: -0.429
local terms energy: -89.416557
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -19.318
flat angles P-C4'-P energy: -14.312
tors. eta vs tors. theta energy: -25.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -257.103608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.103608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.103608 (E_RNA)
where:
Base-Base interactions energy: -170.300
where: short stacking energy: -77.179
Base-Backbone interact. energy: 0.618
local terms energy: -87.421674
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -19.758
flat angles C4'-P-C4' energy: -20.092
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: -22.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -257.259102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.259102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.259102 (E_RNA)
where:
Base-Base interactions energy: -164.925
where: short stacking energy: -81.489
Base-Backbone interact. energy: -0.080
local terms energy: -92.254398
where:
bonds (distance) C4'-P energy: -16.604
bonds (distance) P-C4' energy: -18.212
flat angles C4'-P-C4' energy: -18.288
flat angles P-C4'-P energy: -13.728
tors. eta vs tors. theta energy: -25.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -240.191768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.191768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.191768 (E_RNA)
where:
Base-Base interactions energy: -157.233
where: short stacking energy: -72.313
Base-Backbone interact. energy: -1.257
local terms energy: -81.701420
where:
bonds (distance) C4'-P energy: -8.957
bonds (distance) P-C4' energy: -19.260
flat angles C4'-P-C4' energy: -18.491
flat angles P-C4'-P energy: -12.485
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: 5, replica: 6
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -214.364464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.364464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.364464 (E_RNA)
where:
Base-Base interactions energy: -139.483
where: short stacking energy: -66.385
Base-Backbone interact. energy: -0.491
local terms energy: -74.390251
where:
bonds (distance) C4'-P energy: -17.569
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -13.323
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -16.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -220.219930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.219930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.219930 (E_RNA)
where:
Base-Base interactions energy: -141.503
where: short stacking energy: -66.734
Base-Backbone interact. energy: -0.006
local terms energy: -78.710130
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -19.259
flat angles C4'-P-C4' energy: -18.456
flat angles P-C4'-P energy: -7.966
tors. eta vs tors. theta energy: -19.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -99.073238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.073238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.073238 (E_RNA)
where:
Base-Base interactions energy: -36.514
where: short stacking energy: -36.358
Base-Backbone interact. energy: -0.145
local terms energy: -62.414305
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -16.521
flat angles C4'-P-C4' energy: -16.286
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -3.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -112.893209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.893209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.893209 (E_RNA)
where:
Base-Base interactions energy: -57.240
where: short stacking energy: -37.340
Base-Backbone interact. energy: -0.033
local terms energy: -55.620481
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -0.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -87.274482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.274482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.274482 (E_RNA)
where:
Base-Base interactions energy: -29.429
where: short stacking energy: -27.306
Base-Backbone interact. energy: -0.073
local terms energy: -57.772314
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -13.502
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -7.674
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: 482
Temperature: 1.350000
Total energy: -93.414223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.414223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.414223 (E_RNA)
where:
Base-Base interactions energy: -40.542
where: short stacking energy: -36.169
Base-Backbone interact. energy: 0.598
local terms energy: -53.470207
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -8.091
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -6.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -260.162511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.162511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.162511 (E_RNA)
where:
Base-Base interactions energy: -162.176
where: short stacking energy: -78.565
Base-Backbone interact. energy: -2.256
local terms energy: -95.730661
where:
bonds (distance) C4'-P energy: -17.584
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -19.950
flat angles P-C4'-P energy: -13.653
tors. eta vs tors. theta energy: -26.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -258.846718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.846718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.846718 (E_RNA)
where:
Base-Base interactions energy: -169.570
where: short stacking energy: -75.353
Base-Backbone interact. energy: -0.234
local terms energy: -89.042040
where:
bonds (distance) C4'-P energy: -15.110
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -20.040
flat angles P-C4'-P energy: -15.234
tors. eta vs tors. theta energy: -23.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -245.490208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.490208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.490208 (E_RNA)
where:
Base-Base interactions energy: -157.289
where: short stacking energy: -77.381
Base-Backbone interact. energy: -0.079
local terms energy: -88.123016
where:
bonds (distance) C4'-P energy: -18.118
bonds (distance) P-C4' energy: -17.791
flat angles C4'-P-C4' energy: -18.094
flat angles P-C4'-P energy: -11.188
tors. eta vs tors. theta energy: -22.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -209.199493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.199493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.199493 (E_RNA)
where:
Base-Base interactions energy: -135.649
where: short stacking energy: -60.813
Base-Backbone interact. energy: -0.048
local terms energy: -73.503330
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -15.525
flat angles C4'-P-C4' energy: -17.488
flat angles P-C4'-P energy: -7.544
tors. eta vs tors. theta energy: -19.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -233.469594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.469594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.469594 (E_RNA)
where:
Base-Base interactions energy: -154.104
where: short stacking energy: -62.421
Base-Backbone interact. energy: -0.107
local terms energy: -79.258327
where:
bonds (distance) C4'-P energy: -7.918
bonds (distance) P-C4' energy: -19.684
flat angles C4'-P-C4' energy: -16.751
flat angles P-C4'-P energy: -13.384
tors. eta vs tors. theta energy: -21.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -211.532610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.532610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.532610 (E_RNA)
where:
Base-Base interactions energy: -137.120
where: short stacking energy: -68.714
Base-Backbone interact. energy: -0.065
local terms energy: -74.348383
where:
bonds (distance) C4'-P energy: -9.480
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -17.656
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -21.526
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: 8
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -98.164713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.164713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.164713 (E_RNA)
where:
Base-Base interactions energy: -37.035
where: short stacking energy: -29.851
Base-Backbone interact. energy: -0.248
local terms energy: -60.881724
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -5.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -107.191531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.191531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.191531 (E_RNA)
where:
Base-Base interactions energy: -41.288
where: short stacking energy: -38.277
Base-Backbone interact. energy: -0.287
local terms energy: -65.616957
where:
bonds (distance) C4'-P energy: -14.141
bonds (distance) P-C4' energy: -20.162
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -14.706
tors. eta vs tors. theta energy: -4.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -128.292766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.292766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.292766 (E_RNA)
where:
Base-Base interactions energy: -76.380
where: short stacking energy: -32.132
Base-Backbone interact. energy: 0.456
local terms energy: -52.369046
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -9.947
flat angles P-C4'-P energy: -6.101
tors. eta vs tors. theta energy: -6.480
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: 3
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -83.966006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.966006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.966006 (E_RNA)
where:
Base-Base interactions energy: -28.031
where: short stacking energy: -25.602
Base-Backbone interact. energy: -0.068
local terms energy: -55.867260
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -12.457
flat angles P-C4'-P energy: -5.022
tors. eta vs tors. theta energy: -6.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -268.802255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.802255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.802255 (E_RNA)
where:
Base-Base interactions energy: -174.556
where: short stacking energy: -80.673
Base-Backbone interact. energy: -0.069
local terms energy: -94.176943
where:
bonds (distance) C4'-P energy: -17.602
bonds (distance) P-C4' energy: -19.231
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -15.765
tors. eta vs tors. theta energy: -25.859
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: 4
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -258.668132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.668132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.668132 (E_RNA)
where:
Base-Base interactions energy: -174.433
where: short stacking energy: -83.381
Base-Backbone interact. energy: -0.691
local terms energy: -83.544617
where:
bonds (distance) C4'-P energy: -18.469
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -24.785
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: 10
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -238.188074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.188074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.188074 (E_RNA)
where:
Base-Base interactions energy: -156.676
where: short stacking energy: -70.199
Base-Backbone interact. energy: -0.080
local terms energy: -81.432631
where:
bonds (distance) C4'-P energy: -17.308
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -11.527
tors. eta vs tors. theta energy: -21.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -219.671366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.671366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.671366 (E_RNA)
where:
Base-Base interactions energy: -146.305
where: short stacking energy: -71.764
Base-Backbone interact. energy: -0.052
local terms energy: -73.314891
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -17.635
flat angles C4'-P-C4' energy: -16.614
flat angles P-C4'-P energy: -8.810
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: 5, replica: 1
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -234.832255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.832255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.832255 (E_RNA)
where:
Base-Base interactions energy: -153.630
where: short stacking energy: -71.201
Base-Backbone interact. energy: -0.040
local terms energy: -81.163027
where:
bonds (distance) C4'-P energy: -16.525
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -9.579
tors. eta vs tors. theta energy: -23.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -236.393714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.393714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.393714 (E_RNA)
where:
Base-Base interactions energy: -160.574
where: short stacking energy: -66.533
Base-Backbone interact. energy: -0.300
local terms energy: -75.519393
where:
bonds (distance) C4'-P energy: -17.262
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -18.180
flat angles P-C4'-P energy: -5.149
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: 7, replica: 7
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -104.968155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.968155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.968155 (E_RNA)
where:
Base-Base interactions energy: -39.322
where: short stacking energy: -39.322
Base-Backbone interact. energy: -0.114
local terms energy: -65.531564
where:
bonds (distance) C4'-P energy: -17.151
bonds (distance) P-C4' energy: -16.802
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -6.713
tors. eta vs tors. theta energy: -8.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -110.707805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.707805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.707805 (E_RNA)
where:
Base-Base interactions energy: -43.652
where: short stacking energy: -43.652
Base-Backbone interact. energy: -0.007
local terms energy: -67.048203
where:
bonds (distance) C4'-P energy: -17.369
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -8.286
tors. eta vs tors. theta energy: -10.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -90.111110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.111110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.111110 (E_RNA)
where:
Base-Base interactions energy: -31.598
where: short stacking energy: -24.642
Base-Backbone interact. energy: -0.178
local terms energy: -58.334452
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -6.121
tors. eta vs tors. theta energy: -4.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -89.130617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.130617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.130617 (E_RNA)
where:
Base-Base interactions energy: -23.834
where: short stacking energy: -24.534
Base-Backbone interact. energy: -0.116
local terms energy: -65.179804
where:
bonds (distance) C4'-P energy: -19.762
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -6.190
tors. eta vs tors. theta energy: -3.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -264.651040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.651040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.651040 (E_RNA)
where:
Base-Base interactions energy: -173.447
where: short stacking energy: -87.884
Base-Backbone interact. energy: -0.052
local terms energy: -91.151720
where:
bonds (distance) C4'-P energy: -16.685
bonds (distance) P-C4' energy: -19.815
flat angles C4'-P-C4' energy: -17.823
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -24.168
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: 485
Temperature: 0.950000
Total energy: -257.388523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.388523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.388523 (E_RNA)
where:
Base-Base interactions energy: -171.700
where: short stacking energy: -85.879
Base-Backbone interact. energy: -0.065
local terms energy: -85.623113
where:
bonds (distance) C4'-P energy: -15.983
bonds (distance) P-C4' energy: -15.443
flat angles C4'-P-C4' energy: -17.464
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -26.623
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: 10
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -245.781552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.781552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.781552 (E_RNA)
where:
Base-Base interactions energy: -158.560
where: short stacking energy: -72.948
Base-Backbone interact. energy: -0.357
local terms energy: -86.865136
where:
bonds (distance) C4'-P energy: -17.974
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -19.197
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -24.109
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: 1
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -248.086508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.086508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.086508 (E_RNA)
where:
Base-Base interactions energy: -161.343
where: short stacking energy: -78.885
Base-Backbone interact. energy: -0.020
local terms energy: -86.723603
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -19.585
flat angles P-C4'-P energy: -12.522
tors. eta vs tors. theta energy: -22.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -237.514799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.514799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.514799 (E_RNA)
where:
Base-Base interactions energy: -158.283
where: short stacking energy: -75.881
Base-Backbone interact. energy: -0.247
local terms energy: -78.985405
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -12.959
flat angles C4'-P-C4' energy: -18.200
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -22.927
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: 9
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -218.808712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.808712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.808712 (E_RNA)
where:
Base-Base interactions energy: -145.151
where: short stacking energy: -64.885
Base-Backbone interact. energy: -0.061
local terms energy: -73.597425
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -12.075
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: 7
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -95.143697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.143697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.143697 (E_RNA)
where:
Base-Base interactions energy: -32.545
where: short stacking energy: -31.831
Base-Backbone interact. energy: -0.134
local terms energy: -62.464699
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -19.319
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -4.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -92.848461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.848461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.848461 (E_RNA)
where:
Base-Base interactions energy: -33.583
where: short stacking energy: -33.583
Base-Backbone interact. energy: -1.035
local terms energy: -58.230409
where:
bonds (distance) C4'-P energy: -17.796
bonds (distance) P-C4' energy: -19.184
flat angles C4'-P-C4' energy: -10.164
flat angles P-C4'-P energy: -7.067
tors. eta vs tors. theta energy: -4.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -91.747540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.747540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.747540 (E_RNA)
where:
Base-Base interactions energy: -35.019
where: short stacking energy: -23.683
Base-Backbone interact. energy: -0.135
local terms energy: -56.594069
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -16.966
flat angles C4'-P-C4' energy: -12.797
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -2.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -92.511917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.511917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.511917 (E_RNA)
where:
Base-Base interactions energy: -40.306
where: short stacking energy: -19.615
Base-Backbone interact. energy: -1.304
local terms energy: -50.901559
where:
bonds (distance) C4'-P energy: -8.096
bonds (distance) P-C4' energy: -19.137
flat angles C4'-P-C4' energy: -18.014
flat angles P-C4'-P energy: -5.407
tors. eta vs tors. theta energy: -0.248
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: 4
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -265.811237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.811237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.811237 (E_RNA)
where:
Base-Base interactions energy: -176.407
where: short stacking energy: -85.746
Base-Backbone interact. energy: -0.081
local terms energy: -89.322874
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -15.257
tors. eta vs tors. theta energy: -25.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -265.483237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.483237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.483237 (E_RNA)
where:
Base-Base interactions energy: -174.161
where: short stacking energy: -82.622
Base-Backbone interact. energy: -0.057
local terms energy: -91.264806
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -19.503
flat angles C4'-P-C4' energy: -20.957
flat angles P-C4'-P energy: -11.874
tors. eta vs tors. theta energy: -25.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -247.293993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.293993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.293993 (E_RNA)
where:
Base-Base interactions energy: -164.700
where: short stacking energy: -79.909
Base-Backbone interact. energy: -0.581
local terms energy: -82.012493
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -12.412
flat angles C4'-P-C4' energy: -18.347
flat angles P-C4'-P energy: -11.859
tors. eta vs tors. theta energy: -24.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -244.042823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.042823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.042823 (E_RNA)
where:
Base-Base interactions energy: -156.315
where: short stacking energy: -73.721
Base-Backbone interact. energy: -0.050
local terms energy: -87.678243
where:
bonds (distance) C4'-P energy: -16.533
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -18.139
flat angles P-C4'-P energy: -14.025
tors. eta vs tors. theta energy: -21.496
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: 5, replica: 9
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -233.986227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.986227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.986227 (E_RNA)
where:
Base-Base interactions energy: -147.827
where: short stacking energy: -65.282
Base-Backbone interact. energy: -0.385
local terms energy: -85.774354
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -20.633
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -12.464
tors. eta vs tors. theta energy: -22.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -223.450621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.450621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.450621 (E_RNA)
where:
Base-Base interactions energy: -146.847
where: short stacking energy: -62.170
Base-Backbone interact. energy: -0.044
local terms energy: -76.559654
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -12.272
tors. eta vs tors. theta energy: -21.602
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: 7, replica: 8
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -102.270065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.270065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.270065 (E_RNA)
where:
Base-Base interactions energy: -47.679
where: short stacking energy: -47.679
Base-Backbone interact. energy: 0.396
local terms energy: -54.987633
where:
bonds (distance) C4'-P energy: -19.298
bonds (distance) P-C4' energy: -9.219
flat angles C4'-P-C4' energy: -11.277
flat angles P-C4'-P energy: -7.612
tors. eta vs tors. theta energy: -7.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -105.601442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.601442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.601442 (E_RNA)
where:
Base-Base interactions energy: -50.529
where: short stacking energy: -34.703
Base-Backbone interact. energy: -0.191
local terms energy: -54.881567
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -11.703
flat angles C4'-P-C4' energy: -17.207
flat angles P-C4'-P energy: -4.784
tors. eta vs tors. theta energy: -8.327
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: 5
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -97.079040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.079040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.079040 (E_RNA)
where:
Base-Base interactions energy: -52.787
where: short stacking energy: -19.744
Base-Backbone interact. energy: 0.133
local terms energy: -44.424828
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -18.410
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -6.676
tors. eta vs tors. theta energy: 6.100
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: 3
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -89.091674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.091674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.091674 (E_RNA)
where:
Base-Base interactions energy: -37.220
where: short stacking energy: -32.744
Base-Backbone interact. energy: -0.141
local terms energy: -51.730782
where:
bonds (distance) C4'-P energy: -16.224
bonds (distance) P-C4' energy: -9.541
flat angles C4'-P-C4' energy: -10.327
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: -4.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -267.627317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.627317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.627317 (E_RNA)
where:
Base-Base interactions energy: -173.269
where: short stacking energy: -84.365
Base-Backbone interact. energy: -0.102
local terms energy: -94.256611
where:
bonds (distance) C4'-P energy: -14.134
bonds (distance) P-C4' energy: -19.844
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -15.655
tors. eta vs tors. theta energy: -28.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -263.911948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.911948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.911948 (E_RNA)
where:
Base-Base interactions energy: -172.279
where: short stacking energy: -84.543
Base-Backbone interact. energy: 0.188
local terms energy: -91.821116
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -17.190
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -13.242
tors. eta vs tors. theta energy: -26.972
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: 1
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -256.406103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.406103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.406103 (E_RNA)
where:
Base-Base interactions energy: -164.225
where: short stacking energy: -81.693
Base-Backbone interact. energy: -0.001
local terms energy: -92.179763
where:
bonds (distance) C4'-P energy: -18.915
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: -27.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -238.554654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.554654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.554654 (E_RNA)
where:
Base-Base interactions energy: -157.724
where: short stacking energy: -74.526
Base-Backbone interact. energy: -0.138
local terms energy: -80.692147
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -16.907
flat angles C4'-P-C4' energy: -12.443
flat angles P-C4'-P energy: -12.022
tors. eta vs tors. theta energy: -21.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -239.960695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.960695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.960695 (E_RNA)
where:
Base-Base interactions energy: -161.934
where: short stacking energy: -74.938
Base-Backbone interact. energy: -0.031
local terms energy: -77.995487
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -15.758
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -12.612
tors. eta vs tors. theta energy: -21.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -200.689279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.689279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.689279 (E_RNA)
where:
Base-Base interactions energy: -126.098
where: short stacking energy: -53.279
Base-Backbone interact. energy: -0.386
local terms energy: -74.205571
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -13.301
tors. eta vs tors. theta energy: -19.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -95.746714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.746714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.746714 (E_RNA)
where:
Base-Base interactions energy: -30.864
where: short stacking energy: -30.864
Base-Backbone interact. energy: 0.242
local terms energy: -65.124565
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -11.001
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -9.095
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: 5
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -98.936502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.936502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.936502 (E_RNA)
where:
Base-Base interactions energy: -38.847
where: short stacking energy: -32.573
Base-Backbone interact. energy: -0.269
local terms energy: -59.820788
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -8.546
tors. eta vs tors. theta energy: -4.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -102.757918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.757918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.757918 (E_RNA)
where:
Base-Base interactions energy: -43.909
where: short stacking energy: -28.170
Base-Backbone interact. energy: -0.715
local terms energy: -58.133645
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -4.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -82.069900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.069900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.069900 (E_RNA)
where:
Base-Base interactions energy: -39.869
where: short stacking energy: -21.983
Base-Backbone interact. energy: -0.282
local terms energy: -41.918380
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -12.135
flat angles C4'-P-C4' energy: -9.908
flat angles P-C4'-P energy: -4.832
tors. eta vs tors. theta energy: -1.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -263.796793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.796793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.796793 (E_RNA)
where:
Base-Base interactions energy: -174.011
where: short stacking energy: -80.859
Base-Backbone interact. energy: -0.004
local terms energy: -89.781792
where:
bonds (distance) C4'-P energy: -16.084
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -16.954
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: -26.121
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: 488
Temperature: 0.950000
Total energy: -244.462955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.462955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.462955 (E_RNA)
where:
Base-Base interactions energy: -154.555
where: short stacking energy: -71.692
Base-Backbone interact. energy: -0.229
local terms energy: -89.678976
where:
bonds (distance) C4'-P energy: -18.186
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -18.799
flat angles P-C4'-P energy: -13.325
tors. eta vs tors. theta energy: -22.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -254.894203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.894203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.894203 (E_RNA)
where:
Base-Base interactions energy: -162.654
where: short stacking energy: -83.509
Base-Backbone interact. energy: -0.004
local terms energy: -92.235333
where:
bonds (distance) C4'-P energy: -13.410
bonds (distance) P-C4' energy: -19.785
flat angles C4'-P-C4' energy: -19.439
flat angles P-C4'-P energy: -13.154
tors. eta vs tors. theta energy: -26.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -250.255649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.255649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.255649 (E_RNA)
where:
Base-Base interactions energy: -164.886
where: short stacking energy: -77.596
Base-Backbone interact. energy: -0.788
local terms energy: -84.581709
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -17.860
flat angles C4'-P-C4' energy: -14.435
flat angles P-C4'-P energy: -13.295
tors. eta vs tors. theta energy: -22.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -241.410423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.410423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.410423 (E_RNA)
where:
Base-Base interactions energy: -164.912
where: short stacking energy: -70.923
Base-Backbone interact. energy: -0.007
local terms energy: -76.491015
where:
bonds (distance) C4'-P energy: -10.194
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -17.329
flat angles P-C4'-P energy: -12.243
tors. eta vs tors. theta energy: -21.721
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: 6
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -205.528317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.528317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.528317 (E_RNA)
where:
Base-Base interactions energy: -136.637
where: short stacking energy: -54.027
Base-Backbone interact. energy: -0.561
local terms energy: -68.330826
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -7.060
tors. eta vs tors. theta energy: -19.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -91.484459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.484459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.484459 (E_RNA)
where:
Base-Base interactions energy: -23.700
where: short stacking energy: -21.281
Base-Backbone interact. energy: -0.184
local terms energy: -67.599788
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -18.166
flat angles C4'-P-C4' energy: -18.281
flat angles P-C4'-P energy: -13.408
tors. eta vs tors. theta energy: -1.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -90.892310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.892310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.892310 (E_RNA)
where:
Base-Base interactions energy: -37.891
where: short stacking energy: -32.695
Base-Backbone interact. energy: -0.122
local terms energy: -52.878671
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -5.955
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -3.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -109.180503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.180503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.180503 (E_RNA)
where:
Base-Base interactions energy: -48.706
where: short stacking energy: -39.421
Base-Backbone interact. energy: -0.105
local terms energy: -60.369181
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -7.167
tors. eta vs tors. theta energy: -7.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -85.276929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.276929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.276929 (E_RNA)
where:
Base-Base interactions energy: -41.258
where: short stacking energy: -29.137
Base-Backbone interact. energy: -0.465
local terms energy: -43.553481
where:
bonds (distance) C4'-P energy: -12.270
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -4.859
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -2.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -254.853180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.853180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.853180 (E_RNA)
where:
Base-Base interactions energy: -164.532
where: short stacking energy: -79.528
Base-Backbone interact. energy: 0.593
local terms energy: -90.914177
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -18.678
flat angles P-C4'-P energy: -15.899
tors. eta vs tors. theta energy: -25.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -268.201122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.201122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.201122 (E_RNA)
where:
Base-Base interactions energy: -174.226
where: short stacking energy: -81.076
Base-Backbone interact. energy: -0.282
local terms energy: -93.692954
where:
bonds (distance) C4'-P energy: -17.949
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -18.885
flat angles P-C4'-P energy: -14.484
tors. eta vs tors. theta energy: -27.045
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: 3, replica: 4
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -253.733919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.733919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.733919 (E_RNA)
where:
Base-Base interactions energy: -162.202
where: short stacking energy: -72.643
Base-Backbone interact. energy: -0.558
local terms energy: -90.973925
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -18.950
flat angles P-C4'-P energy: -14.556
tors. eta vs tors. theta energy: -24.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -249.360982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.360982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.360982 (E_RNA)
where:
Base-Base interactions energy: -162.964
where: short stacking energy: -79.615
Base-Backbone interact. energy: -0.013
local terms energy: -86.383157
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -20.955
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -23.695
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: 5, replica: 9
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -231.117171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.117171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.117171 (E_RNA)
where:
Base-Base interactions energy: -157.502
where: short stacking energy: -71.900
Base-Backbone interact. energy: -0.627
local terms energy: -72.988196
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -8.909
flat angles C4'-P-C4' energy: -17.328
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: -20.778
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: 6, replica: 6
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -223.098521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.098521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.098521 (E_RNA)
where:
Base-Base interactions energy: -139.498
where: short stacking energy: -61.821
Base-Backbone interact. energy: -0.251
local terms energy: -83.348856
where:
bonds (distance) C4'-P energy: -18.383
bonds (distance) P-C4' energy: -16.989
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -15.313
tors. eta vs tors. theta energy: -16.924
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: 489
Temperature: 1.200000
Total energy: -100.310240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.310240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.310240 (E_RNA)
where:
Base-Base interactions energy: -44.063
where: short stacking energy: -39.173
Base-Backbone interact. energy: -0.164
local terms energy: -56.082935
where:
bonds (distance) C4'-P energy: -16.290
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -6.710
tors. eta vs tors. theta energy: -3.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -87.416256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.416256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.416256 (E_RNA)
where:
Base-Base interactions energy: -34.041
where: short stacking energy: -24.150
Base-Backbone interact. energy: -0.568
local terms energy: -52.807184
where:
bonds (distance) C4'-P energy: -11.439
bonds (distance) P-C4' energy: -18.821
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -7.786
tors. eta vs tors. theta energy: 2.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -87.875462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.875462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.875462 (E_RNA)
where:
Base-Base interactions energy: -28.527
where: short stacking energy: -27.688
Base-Backbone interact. energy: -0.255
local terms energy: -59.092926
where:
bonds (distance) C4'-P energy: -18.277
bonds (distance) P-C4' energy: -17.600
flat angles C4'-P-C4' energy: -11.800
flat angles P-C4'-P energy: -4.328
tors. eta vs tors. theta energy: -7.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -82.547729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.547729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.547729 (E_RNA)
where:
Base-Base interactions energy: -29.847
where: short stacking energy: -25.690
Base-Backbone interact. energy: -0.045
local terms energy: -52.655918
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -0.877
tors. eta vs tors. theta energy: -3.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -267.980103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.980103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.980103 (E_RNA)
where:
Base-Base interactions energy: -180.159
where: short stacking energy: -81.607
Base-Backbone interact. energy: -0.053
local terms energy: -87.767545
where:
bonds (distance) C4'-P energy: -15.209
bonds (distance) P-C4' energy: -12.195
flat angles C4'-P-C4' energy: -20.066
flat angles P-C4'-P energy: -13.275
tors. eta vs tors. theta energy: -27.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -257.815700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.815700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.815700 (E_RNA)
where:
Base-Base interactions energy: -170.181
where: short stacking energy: -84.228
Base-Backbone interact. energy: -0.057
local terms energy: -87.577579
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -17.222
flat angles P-C4'-P energy: -11.357
tors. eta vs tors. theta energy: -26.031
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: 10
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -247.973757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.973757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.973757 (E_RNA)
where:
Base-Base interactions energy: -166.681
where: short stacking energy: -78.106
Base-Backbone interact. energy: -0.534
local terms energy: -80.758843
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -15.844
flat angles C4'-P-C4' energy: -15.365
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -26.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -227.991615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.991615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.991615 (E_RNA)
where:
Base-Base interactions energy: -150.225
where: short stacking energy: -65.753
Base-Backbone interact. energy: -0.082
local terms energy: -77.684539
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -14.718
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -11.077
tors. eta vs tors. theta energy: -24.411
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: 490
Temperature: 1.100000
Total energy: -217.011428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.011428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.011428 (E_RNA)
where:
Base-Base interactions energy: -141.609
where: short stacking energy: -63.851
Base-Backbone interact. energy: -0.564
local terms energy: -74.838591
where:
bonds (distance) C4'-P energy: -21.095
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -9.433
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: 6, replica: 6
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -222.882136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.882136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.882136 (E_RNA)
where:
Base-Base interactions energy: -143.766
where: short stacking energy: -72.915
Base-Backbone interact. energy: -0.126
local terms energy: -78.990520
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -12.748
flat angles C4'-P-C4' energy: -18.130
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: -20.861
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: 7, replica: 7
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -108.280739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.280739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.280739 (E_RNA)
where:
Base-Base interactions energy: -42.825
where: short stacking energy: -38.069
Base-Backbone interact. energy: -0.374
local terms energy: -65.082329
where:
bonds (distance) C4'-P energy: -11.850
bonds (distance) P-C4' energy: -17.635
flat angles C4'-P-C4' energy: -12.245
flat angles P-C4'-P energy: -13.631
tors. eta vs tors. theta energy: -9.721
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: 5
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -95.620005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.620005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.620005 (E_RNA)
where:
Base-Base interactions energy: -28.999
where: short stacking energy: -25.940
Base-Backbone interact. energy: 0.298
local terms energy: -66.918324
where:
bonds (distance) C4'-P energy: -17.013
bonds (distance) P-C4' energy: -19.739
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -12.641
tors. eta vs tors. theta energy: -3.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -91.030905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.030905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.030905 (E_RNA)
where:
Base-Base interactions energy: -29.116
where: short stacking energy: -28.575
Base-Backbone interact. energy: -0.140
local terms energy: -61.775175
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -16.649
flat angles P-C4'-P energy: -6.629
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: 8
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -86.851256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.851256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.851256 (E_RNA)
where:
Base-Base interactions energy: -33.270
where: short stacking energy: -33.270
Base-Backbone interact. energy: -0.003
local terms energy: -53.578790
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -12.298
flat angles C4'-P-C4' energy: -8.722
flat angles P-C4'-P energy: -7.255
tors. eta vs tors. theta energy: -9.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -266.484354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.484354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.484354 (E_RNA)
where:
Base-Base interactions energy: -176.256
where: short stacking energy: -83.070
Base-Backbone interact. energy: -0.041
local terms energy: -90.187080
where:
bonds (distance) C4'-P energy: -19.191
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -13.020
tors. eta vs tors. theta energy: -25.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -260.691955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.691955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.691955 (E_RNA)
where:
Base-Base interactions energy: -175.381
where: short stacking energy: -83.779
Base-Backbone interact. energy: -0.089
local terms energy: -85.221700
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -19.123
flat angles C4'-P-C4' energy: -17.229
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -27.249
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: 2
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -249.033459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.033459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.033459 (E_RNA)
where:
Base-Base interactions energy: -160.433
where: short stacking energy: -77.973
Base-Backbone interact. energy: -0.122
local terms energy: -88.479127
where:
bonds (distance) C4'-P energy: -18.793
bonds (distance) P-C4' energy: -17.472
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -24.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -237.429143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.429143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.429143 (E_RNA)
where:
Base-Base interactions energy: -155.122
where: short stacking energy: -70.187
Base-Backbone interact. energy: -0.045
local terms energy: -82.261491
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -16.537
flat angles P-C4'-P energy: -10.780
tors. eta vs tors. theta energy: -21.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -241.778608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.778608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.778608 (E_RNA)
where:
Base-Base interactions energy: -158.330
where: short stacking energy: -73.790
Base-Backbone interact. energy: -0.123
local terms energy: -83.325507
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -11.617
flat angles C4'-P-C4' energy: -18.810
flat angles P-C4'-P energy: -13.905
tors. eta vs tors. theta energy: -23.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -205.423893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.423893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.423893 (E_RNA)
where:
Base-Base interactions energy: -137.392
where: short stacking energy: -64.304
Base-Backbone interact. energy: 0.062
local terms energy: -68.093771
where:
bonds (distance) C4'-P energy: -14.257
bonds (distance) P-C4' energy: -18.995
flat angles C4'-P-C4' energy: -9.698
flat angles P-C4'-P energy: -7.920
tors. eta vs tors. theta energy: -17.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -96.064286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.064286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.064286 (E_RNA)
where:
Base-Base interactions energy: -34.075
where: short stacking energy: -29.224
Base-Backbone interact. energy: -0.092
local terms energy: -61.897217
where:
bonds (distance) C4'-P energy: -13.806
bonds (distance) P-C4' energy: -17.316
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -7.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -108.419449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.419449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.419449 (E_RNA)
where:
Base-Base interactions energy: -47.611
where: short stacking energy: -34.580
Base-Backbone interact. energy: -2.644
local terms energy: -58.164882
where:
bonds (distance) C4'-P energy: -8.177
bonds (distance) P-C4' energy: -13.403
flat angles C4'-P-C4' energy: -16.278
flat angles P-C4'-P energy: -10.479
tors. eta vs tors. theta energy: -9.828
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: 5
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -87.577848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.577848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.577848 (E_RNA)
where:
Base-Base interactions energy: -28.974
where: short stacking energy: -26.664
Base-Backbone interact. energy: -0.272
local terms energy: -58.331962
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: -4.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -86.649780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.649780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.649780 (E_RNA)
where:
Base-Base interactions energy: -31.508
where: short stacking energy: -30.706
Base-Backbone interact. energy: -0.110
local terms energy: -55.031468
where:
bonds (distance) C4'-P energy: -16.869
bonds (distance) P-C4' energy: -19.101
flat angles C4'-P-C4' energy: -7.787
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -1.987
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: 1
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -266.995702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.995702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.995702 (E_RNA)
where:
Base-Base interactions energy: -179.391
where: short stacking energy: -81.016
Base-Backbone interact. energy: -0.013
local terms energy: -87.591575
where:
bonds (distance) C4'-P energy: -16.656
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -19.082
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -23.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -259.910132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.910132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.910132 (E_RNA)
where:
Base-Base interactions energy: -172.010
where: short stacking energy: -82.276
Base-Backbone interact. energy: -0.004
local terms energy: -87.896461
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -17.927
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -27.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -241.891609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.891609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.891609 (E_RNA)
where:
Base-Base interactions energy: -161.296
where: short stacking energy: -79.646
Base-Backbone interact. energy: -0.057
local terms energy: -80.538495
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -15.130
flat angles C4'-P-C4' energy: -17.333
flat angles P-C4'-P energy: -14.061
tors. eta vs tors. theta energy: -22.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -229.502369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.502369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.502369 (E_RNA)
where:
Base-Base interactions energy: -153.958
where: short stacking energy: -70.681
Base-Backbone interact. energy: -0.484
local terms energy: -75.060241
where:
bonds (distance) C4'-P energy: -8.736
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -19.646
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -19.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -229.315551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.315551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.315551 (E_RNA)
where:
Base-Base interactions energy: -151.275
where: short stacking energy: -67.372
Base-Backbone interact. energy: -0.125
local terms energy: -77.915070
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -11.562
flat angles C4'-P-C4' energy: -18.569
flat angles P-C4'-P energy: -15.391
tors. eta vs tors. theta energy: -17.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -218.352150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.352150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.352150 (E_RNA)
where:
Base-Base interactions energy: -141.591
where: short stacking energy: -61.469
Base-Backbone interact. energy: -0.717
local terms energy: -76.044019
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -11.974
tors. eta vs tors. theta energy: -20.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -93.115195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.115195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.115195 (E_RNA)
where:
Base-Base interactions energy: -47.118
where: short stacking energy: -38.418
Base-Backbone interact. energy: -0.036
local terms energy: -45.961394
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -18.068
flat angles C4'-P-C4' energy: -11.761
flat angles P-C4'-P energy: -3.883
tors. eta vs tors. theta energy: 1.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -105.418818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.418818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.418818 (E_RNA)
where:
Base-Base interactions energy: -43.466
where: short stacking energy: -35.536
Base-Backbone interact. energy: -0.133
local terms energy: -61.819896
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -12.826
flat angles C4'-P-C4' energy: -16.527
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -7.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -81.996060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.996060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.996060 (E_RNA)
where:
Base-Base interactions energy: -29.614
where: short stacking energy: -23.086
Base-Backbone interact. energy: -0.348
local terms energy: -52.034289
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -18.848
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: 3.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -86.232942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.232942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.232942 (E_RNA)
where:
Base-Base interactions energy: -39.637
where: short stacking energy: -21.202
Base-Backbone interact. energy: 1.143
local terms energy: -47.739181
where:
bonds (distance) C4'-P energy: -12.235
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: 2.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -264.519016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.519016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.519016 (E_RNA)
where:
Base-Base interactions energy: -173.622
where: short stacking energy: -85.400
Base-Backbone interact. energy: -0.002
local terms energy: -90.895579
where:
bonds (distance) C4'-P energy: -18.810
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -20.249
flat angles P-C4'-P energy: -13.783
tors. eta vs tors. theta energy: -24.081
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: 493
Temperature: 0.950000
Total energy: -258.715812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.715812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.715812 (E_RNA)
where:
Base-Base interactions energy: -170.994
where: short stacking energy: -82.948
Base-Backbone interact. energy: -0.001
local terms energy: -87.720898
where:
bonds (distance) C4'-P energy: -18.721
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -11.767
tors. eta vs tors. theta energy: -24.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -253.247044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.247044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.247044 (E_RNA)
where:
Base-Base interactions energy: -167.835
where: short stacking energy: -74.483
Base-Backbone interact. energy: -0.003
local terms energy: -85.409209
where:
bonds (distance) C4'-P energy: -15.880
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -17.333
flat angles P-C4'-P energy: -12.177
tors. eta vs tors. theta energy: -25.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -249.942088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.942088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.942088 (E_RNA)
where:
Base-Base interactions energy: -168.140
where: short stacking energy: -71.632
Base-Backbone interact. energy: -0.023
local terms energy: -81.779436
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -18.926
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -24.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -233.127269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.127269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.127269 (E_RNA)
where:
Base-Base interactions energy: -155.826
where: short stacking energy: -70.380
Base-Backbone interact. energy: -0.041
local terms energy: -77.259674
where:
bonds (distance) C4'-P energy: -5.986
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -18.947
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -22.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -239.315038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.315038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.315038 (E_RNA)
where:
Base-Base interactions energy: -158.202
where: short stacking energy: -73.350
Base-Backbone interact. energy: -0.035
local terms energy: -81.077461
where:
bonds (distance) C4'-P energy: -15.975
bonds (distance) P-C4' energy: -20.638
flat angles C4'-P-C4' energy: -10.335
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -25.609
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: 7, replica: 3
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -107.942466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.942466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.942466 (E_RNA)
where:
Base-Base interactions energy: -46.823
where: short stacking energy: -29.911
Base-Backbone interact. energy: -0.210
local terms energy: -60.909350
where:
bonds (distance) C4'-P energy: -18.114
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -16.841
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: 0.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -95.492364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.492364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.492364 (E_RNA)
where:
Base-Base interactions energy: -32.963
where: short stacking energy: -28.908
Base-Backbone interact. energy: -0.070
local terms energy: -62.459569
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -7.505
tors. eta vs tors. theta energy: -8.709
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: 493
Temperature: 1.300000
Total energy: -85.974938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.974938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.974938 (E_RNA)
where:
Base-Base interactions energy: -29.741
where: short stacking energy: -22.550
Base-Backbone interact. energy: -0.118
local terms energy: -56.115511
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -0.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -79.362706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.362706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.362706 (E_RNA)
where:
Base-Base interactions energy: -26.793
where: short stacking energy: -26.793
Base-Backbone interact. energy: -0.353
local terms energy: -52.216854
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: 2.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -273.231802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.231802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.231802 (E_RNA)
where:
Base-Base interactions energy: -177.995
where: short stacking energy: -85.230
Base-Backbone interact. energy: -0.758
local terms energy: -94.479287
where:
bonds (distance) C4'-P energy: -18.400
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -20.269
flat angles P-C4'-P energy: -14.093
tors. eta vs tors. theta energy: -27.520
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: 2, replica: 2
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -254.845252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.845252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.845252 (E_RNA)
where:
Base-Base interactions energy: -169.614
where: short stacking energy: -76.674
Base-Backbone interact. energy: -0.051
local terms energy: -85.180024
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -11.817
tors. eta vs tors. theta energy: -25.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -250.458805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.458805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.458805 (E_RNA)
where:
Base-Base interactions energy: -159.732
where: short stacking energy: -72.978
Base-Backbone interact. energy: -0.080
local terms energy: -90.645900
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -17.149
flat angles C4'-P-C4' energy: -18.400
flat angles P-C4'-P energy: -13.447
tors. eta vs tors. theta energy: -26.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -233.186217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.186217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.186217 (E_RNA)
where:
Base-Base interactions energy: -161.333
where: short stacking energy: -64.414
Base-Backbone interact. energy: -0.115
local terms energy: -71.738002
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -16.019
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -15.058
tors. eta vs tors. theta energy: -15.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -228.345370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.345370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.345370 (E_RNA)
where:
Base-Base interactions energy: -150.712
where: short stacking energy: -73.911
Base-Backbone interact. energy: -0.012
local terms energy: -77.621510
where:
bonds (distance) C4'-P energy: -14.589
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -7.529
tors. eta vs tors. theta energy: -21.038
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: 494
Temperature: 1.150000
Total energy: -235.816438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.816438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.816438 (E_RNA)
where:
Base-Base interactions energy: -159.109
where: short stacking energy: -81.026
Base-Backbone interact. energy: -0.027
local terms energy: -76.680637
where:
bonds (distance) C4'-P energy: -10.068
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -17.667
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -22.578
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: 7, replica: 8
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -115.965097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.965097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.965097 (E_RNA)
where:
Base-Base interactions energy: -64.384
where: short stacking energy: -36.237
Base-Backbone interact. energy: -0.170
local terms energy: -51.410780
where:
bonds (distance) C4'-P energy: -11.278
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -10.438
flat angles P-C4'-P energy: -5.782
tors. eta vs tors. theta energy: -5.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -92.263217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.263217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.263217 (E_RNA)
where:
Base-Base interactions energy: -35.427
where: short stacking energy: -32.446
Base-Backbone interact. energy: -0.942
local terms energy: -55.894378
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -18.421
flat angles P-C4'-P energy: -6.354
tors. eta vs tors. theta energy: -1.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -105.840599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.840599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.840599 (E_RNA)
where:
Base-Base interactions energy: -36.490
where: short stacking energy: -34.787
Base-Backbone interact. energy: -0.073
local terms energy: -69.278107
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -20.097
flat angles C4'-P-C4' energy: -13.691
flat angles P-C4'-P energy: -11.388
tors. eta vs tors. theta energy: -8.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -94.939379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.939379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.939379 (E_RNA)
where:
Base-Base interactions energy: -33.254
where: short stacking energy: -29.287
Base-Backbone interact. energy: -0.158
local terms energy: -61.527349
where:
bonds (distance) C4'-P energy: -9.549
bonds (distance) P-C4' energy: -19.566
flat angles C4'-P-C4' energy: -19.308
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -3.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -264.925535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.925535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.925535 (E_RNA)
where:
Base-Base interactions energy: -176.220
where: short stacking energy: -86.959
Base-Backbone interact. energy: -0.016
local terms energy: -88.689447
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -12.311
flat angles C4'-P-C4' energy: -20.565
flat angles P-C4'-P energy: -12.414
tors. eta vs tors. theta energy: -28.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -254.067971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.067971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.067971 (E_RNA)
where:
Base-Base interactions energy: -167.568
where: short stacking energy: -79.760
Base-Backbone interact. energy: -0.016
local terms energy: -86.483983
where:
bonds (distance) C4'-P energy: -17.427
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -18.587
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -23.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -257.515220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.515220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.515220 (E_RNA)
where:
Base-Base interactions energy: -173.091
where: short stacking energy: -85.349
Base-Backbone interact. energy: -0.102
local terms energy: -84.322427
where:
bonds (distance) C4'-P energy: -16.174
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -8.095
tors. eta vs tors. theta energy: -25.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -242.064473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.064473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.064473 (E_RNA)
where:
Base-Base interactions energy: -160.504
where: short stacking energy: -74.531
Base-Backbone interact. energy: 0.120
local terms energy: -81.679986
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -15.279
flat angles C4'-P-C4' energy: -16.252
flat angles P-C4'-P energy: -14.797
tors. eta vs tors. theta energy: -22.570
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: 4
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -240.358253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.358253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.358253 (E_RNA)
where:
Base-Base interactions energy: -165.665
where: short stacking energy: -65.560
Base-Backbone interact. energy: -0.012
local terms energy: -74.681580
where:
bonds (distance) C4'-P energy: -10.500
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -11.885
tors. eta vs tors. theta energy: -21.849
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: 9
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -236.841732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.841732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.841732 (E_RNA)
where:
Base-Base interactions energy: -160.181
where: short stacking energy: -79.010
Base-Backbone interact. energy: -0.002
local terms energy: -76.658083
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -11.733
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: 7, replica: 8
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -106.601904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.601904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.601904 (E_RNA)
where:
Base-Base interactions energy: -42.258
where: short stacking energy: -42.258
Base-Backbone interact. energy: -0.087
local terms energy: -64.256613
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -12.910
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -10.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -99.587328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.587328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.587328 (E_RNA)
where:
Base-Base interactions energy: -35.867
where: short stacking energy: -35.867
Base-Backbone interact. energy: 2.098
local terms energy: -65.818248
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -18.597
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -6.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -85.763493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.763493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.763493 (E_RNA)
where:
Base-Base interactions energy: -30.833
where: short stacking energy: -17.712
Base-Backbone interact. energy: 2.463
local terms energy: -57.393108
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -13.542
tors. eta vs tors. theta energy: 2.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -91.517772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.517772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.517772 (E_RNA)
where:
Base-Base interactions energy: -38.473
where: short stacking energy: -18.050
Base-Backbone interact. energy: -0.181
local terms energy: -52.863841
where:
bonds (distance) C4'-P energy: -14.988
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -17.459
flat angles P-C4'-P energy: -5.459
tors. eta vs tors. theta energy: -1.062
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: 1, replica: 1
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -261.725727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.725727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.725727 (E_RNA)
where:
Base-Base interactions energy: -173.854
where: short stacking energy: -80.029
Base-Backbone interact. energy: -0.096
local terms energy: -87.776039
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -20.147
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -24.751
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: 2, replica: 10
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -255.956187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.956187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.956187 (E_RNA)
where:
Base-Base interactions energy: -167.071
where: short stacking energy: -80.532
Base-Backbone interact. energy: 0.186
local terms energy: -89.071137
where:
bonds (distance) C4'-P energy: -15.563
bonds (distance) P-C4' energy: -17.902
flat angles C4'-P-C4' energy: -19.655
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: -24.256
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: 2
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -260.595061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.595061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.595061 (E_RNA)
where:
Base-Base interactions energy: -173.354
where: short stacking energy: -75.766
Base-Backbone interact. energy: -0.437
local terms energy: -86.804141
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -18.902
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: -26.710
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: 6
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -227.771205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.771205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.771205 (E_RNA)
where:
Base-Base interactions energy: -150.582
where: short stacking energy: -68.716
Base-Backbone interact. energy: -0.003
local terms energy: -77.186264
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -22.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -240.754850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.754850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.754850 (E_RNA)
where:
Base-Base interactions energy: -154.606
where: short stacking energy: -71.489
Base-Backbone interact. energy: 0.082
local terms energy: -86.230131
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -18.022
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -26.283
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: 6, replica: 4
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -238.330541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.330541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.330541 (E_RNA)
where:
Base-Base interactions energy: -150.225
where: short stacking energy: -76.329
Base-Backbone interact. energy: -0.662
local terms energy: -87.443467
where:
bonds (distance) C4'-P energy: -18.573
bonds (distance) P-C4' energy: -12.633
flat angles C4'-P-C4' energy: -18.876
flat angles P-C4'-P energy: -14.392
tors. eta vs tors. theta energy: -22.969
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: 496
Temperature: 1.200000
Total energy: -92.714307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.714307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.714307 (E_RNA)
where:
Base-Base interactions energy: -29.446
where: short stacking energy: -29.446
Base-Backbone interact. energy: -0.446
local terms energy: -62.822205
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -19.113
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -12.543
tors. eta vs tors. theta energy: -0.741
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: 8, replica: 8
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -93.530016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.530016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.530016 (E_RNA)
where:
Base-Base interactions energy: -31.236
where: short stacking energy: -30.099
Base-Backbone interact. energy: -0.067
local terms energy: -62.226975
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -13.119
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: 9, replica: 7
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -96.686928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.686928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.686928 (E_RNA)
where:
Base-Base interactions energy: -43.209
where: short stacking energy: -36.602
Base-Backbone interact. energy: -0.218
local terms energy: -53.260292
where:
bonds (distance) C4'-P energy: -17.765
bonds (distance) P-C4' energy: -5.075
flat angles C4'-P-C4' energy: -9.111
flat angles P-C4'-P energy: -15.166
tors. eta vs tors. theta energy: -6.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -86.404491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.404491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.404491 (E_RNA)
where:
Base-Base interactions energy: -33.207
where: short stacking energy: -20.939
Base-Backbone interact. energy: -0.536
local terms energy: -52.661752
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -18.085
flat angles C4'-P-C4' energy: -9.574
flat angles P-C4'-P energy: -8.848
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: 1, replica: 1
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -259.416535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.416535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.416535 (E_RNA)
where:
Base-Base interactions energy: -170.821
where: short stacking energy: -80.134
Base-Backbone interact. energy: 1.889
local terms energy: -90.484911
where:
bonds (distance) C4'-P energy: -16.942
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -20.013
flat angles P-C4'-P energy: -15.147
tors. eta vs tors. theta energy: -24.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -261.701989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.701989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.701989 (E_RNA)
where:
Base-Base interactions energy: -175.019
where: short stacking energy: -77.603
Base-Backbone interact. energy: -0.039
local terms energy: -86.643074
where:
bonds (distance) C4'-P energy: -17.911
bonds (distance) P-C4' energy: -15.362
flat angles C4'-P-C4' energy: -16.607
flat angles P-C4'-P energy: -11.932
tors. eta vs tors. theta energy: -24.831
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: 10
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -269.904381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.904381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.904381 (E_RNA)
where:
Base-Base interactions energy: -175.077
where: short stacking energy: -82.565
Base-Backbone interact. energy: -0.613
local terms energy: -94.214352
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -17.638
flat angles C4'-P-C4' energy: -18.973
flat angles P-C4'-P energy: -16.651
tors. eta vs tors. theta energy: -25.534
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: 9
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -251.813875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.813875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.813875 (E_RNA)
where:
Base-Base interactions energy: -171.383
where: short stacking energy: -70.252
Base-Backbone interact. energy: -0.028
local terms energy: -80.402699
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -16.655
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -20.945
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: 6
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -233.444703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.444703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.444703 (E_RNA)
where:
Base-Base interactions energy: -152.183
where: short stacking energy: -58.922
Base-Backbone interact. energy: -0.795
local terms energy: -80.467053
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -18.118
flat angles C4'-P-C4' energy: -16.337
flat angles P-C4'-P energy: -12.520
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: 6, replica: 4
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -248.680390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.680390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.680390 (E_RNA)
where:
Base-Base interactions energy: -160.795
where: short stacking energy: -69.896
Base-Backbone interact. energy: -0.004
local terms energy: -87.880842
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -16.877
flat angles C4'-P-C4' energy: -18.371
flat angles P-C4'-P energy: -13.706
tors. eta vs tors. theta energy: -23.312
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: 3
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -101.266679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.266679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.266679 (E_RNA)
where:
Base-Base interactions energy: -44.489
where: short stacking energy: -42.059
Base-Backbone interact. energy: -0.207
local terms energy: -56.570169
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -9.233
tors. eta vs tors. theta energy: -4.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -90.681437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.681437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.681437 (E_RNA)
where:
Base-Base interactions energy: -31.259
where: short stacking energy: -31.259
Base-Backbone interact. energy: -0.033
local terms energy: -59.389383
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -11.430
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -4.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -125.485948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.485948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.485948 (E_RNA)
where:
Base-Base interactions energy: -67.707
where: short stacking energy: -33.503
Base-Backbone interact. energy: -0.475
local terms energy: -57.303995
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -6.834
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: 5
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -73.806916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.806916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.806916 (E_RNA)
where:
Base-Base interactions energy: -25.120
where: short stacking energy: -25.120
Base-Backbone interact. energy: -0.774
local terms energy: -47.913097
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -18.541
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -3.141
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: 1, replica: 2
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -264.544149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.544149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.544149 (E_RNA)
where:
Base-Base interactions energy: -169.631
where: short stacking energy: -85.274
Base-Backbone interact. energy: -0.047
local terms energy: -94.865470
where:
bonds (distance) C4'-P energy: -17.810
bonds (distance) P-C4' energy: -19.574
flat angles C4'-P-C4' energy: -18.218
flat angles P-C4'-P energy: -11.799
tors. eta vs tors. theta energy: -27.465
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: 498
Temperature: 0.950000
Total energy: -261.716951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.716951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.716951 (E_RNA)
where:
Base-Base interactions energy: -175.157
where: short stacking energy: -81.784
Base-Backbone interact. energy: -0.275
local terms energy: -86.285778
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -18.356
flat angles C4'-P-C4' energy: -21.072
flat angles P-C4'-P energy: -7.982
tors. eta vs tors. theta energy: -23.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -256.941327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.941327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.941327 (E_RNA)
where:
Base-Base interactions energy: -169.754
where: short stacking energy: -82.453
Base-Backbone interact. energy: -0.004
local terms energy: -87.182403
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -17.586
flat angles C4'-P-C4' energy: -17.027
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -24.311
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: 9
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -236.300712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.300712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.300712 (E_RNA)
where:
Base-Base interactions energy: -150.817
where: short stacking energy: -67.659
Base-Backbone interact. energy: -0.005
local terms energy: -85.478080
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -17.613
flat angles P-C4'-P energy: -12.875
tors. eta vs tors. theta energy: -23.912
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: 6
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -216.040507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.040507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.040507 (E_RNA)
where:
Base-Base interactions energy: -142.416
where: short stacking energy: -68.311
Base-Backbone interact. energy: -0.008
local terms energy: -73.616483
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: -18.101
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: 6, replica: 4
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -222.892246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.892246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.892246 (E_RNA)
where:
Base-Base interactions energy: -147.675
where: short stacking energy: -57.341
Base-Backbone interact. energy: -0.203
local terms energy: -75.014589
where:
bonds (distance) C4'-P energy: -16.770
bonds (distance) P-C4' energy: -16.109
flat angles C4'-P-C4' energy: -17.477
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: -14.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -101.332753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.332753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.332753 (E_RNA)
where:
Base-Base interactions energy: -45.699
where: short stacking energy: -35.843
Base-Backbone interact. energy: -0.306
local terms energy: -55.327482
where:
bonds (distance) C4'-P energy: -7.061
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -18.543
flat angles P-C4'-P energy: -7.875
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: 3
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -86.693731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.693731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.693731 (E_RNA)
where:
Base-Base interactions energy: -29.982
where: short stacking energy: -20.881
Base-Backbone interact. energy: -0.108
local terms energy: -56.603880
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -19.705
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -0.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -109.469353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.469353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.469353 (E_RNA)
where:
Base-Base interactions energy: -58.338
where: short stacking energy: -32.052
Base-Backbone interact. energy: 2.372
local terms energy: -53.503488
where:
bonds (distance) C4'-P energy: -16.541
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -17.966
flat angles P-C4'-P energy: -2.397
tors. eta vs tors. theta energy: -3.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -79.980274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.980274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.980274 (E_RNA)
where:
Base-Base interactions energy: -24.738
where: short stacking energy: -17.927
Base-Backbone interact. energy: -0.108
local terms energy: -55.134334
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -18.714
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -11.154
tors. eta vs tors. theta energy: -0.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -264.999994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.999994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.999994 (E_RNA)
where:
Base-Base interactions energy: -173.289
where: short stacking energy: -83.843
Base-Backbone interact. energy: -0.093
local terms energy: -91.617183
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -19.414
flat angles C4'-P-C4' energy: -19.072
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -27.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -261.363713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.363713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.363713 (E_RNA)
where:
Base-Base interactions energy: -172.572
where: short stacking energy: -76.345
Base-Backbone interact. energy: -0.002
local terms energy: -88.789014
where:
bonds (distance) C4'-P energy: -17.621
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -15.202
tors. eta vs tors. theta energy: -23.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -247.624236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.624236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.624236 (E_RNA)
where:
Base-Base interactions energy: -158.975
where: short stacking energy: -74.400
Base-Backbone interact. energy: -0.295
local terms energy: -88.354230
where:
bonds (distance) C4'-P energy: -20.106
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -18.416
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: -24.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -237.810860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.810860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.810860 (E_RNA)
where:
Base-Base interactions energy: -156.512
where: short stacking energy: -71.144
Base-Backbone interact. energy: -0.027
local terms energy: -81.272318
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -18.901
flat angles P-C4'-P energy: -8.489
tors. eta vs tors. theta energy: -21.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -204.121636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.121636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.121636 (E_RNA)
where:
Base-Base interactions energy: -136.100
where: short stacking energy: -59.540
Base-Backbone interact. energy: -0.128
local terms energy: -67.893176
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -19.421
flat angles P-C4'-P energy: -8.492
tors. eta vs tors. theta energy: -13.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -231.848304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.848304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.848304 (E_RNA)
where:
Base-Base interactions energy: -160.726
where: short stacking energy: -67.270
Base-Backbone interact. energy: -0.111
local terms energy: -71.011587
where:
bonds (distance) C4'-P energy: -16.584
bonds (distance) P-C4' energy: -12.353
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -4.417
tors. eta vs tors. theta energy: -23.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -101.648470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.648470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.648470 (E_RNA)
where:
Base-Base interactions energy: -41.674
where: short stacking energy: -37.701
Base-Backbone interact. energy: -0.102
local terms energy: -59.872514
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -18.318
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: -1.359
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: 8, replica: 3
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -85.958432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.958432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.958432 (E_RNA)
where:
Base-Base interactions energy: -31.852
where: short stacking energy: -31.852
Base-Backbone interact. energy: -1.304
local terms energy: -52.802374
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -8.881
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -5.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -94.795201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.795201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.795201 (E_RNA)
where:
Base-Base interactions energy: -33.338
where: short stacking energy: -29.224
Base-Backbone interact. energy: -1.288
local terms energy: -60.169476
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -6.916
tors. eta vs tors. theta energy: -5.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -84.020402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.020402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.020402 (E_RNA)
where:
Base-Base interactions energy: -28.010
where: short stacking energy: -27.054
Base-Backbone interact. energy: -0.265
local terms energy: -55.745261
where:
bonds (distance) C4'-P energy: -6.938
bonds (distance) P-C4' energy: -17.730
flat angles C4'-P-C4' energy: -14.552
flat angles P-C4'-P energy: -13.479
tors. eta vs tors. theta energy: -3.045
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: 1, replica: 1
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -254.360930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.360930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.360930 (E_RNA)
where:
Base-Base interactions energy: -167.732
where: short stacking energy: -72.053
Base-Backbone interact. energy: -0.012
local terms energy: -86.616965
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -17.603
flat angles P-C4'-P energy: -14.017
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: 2
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -263.573399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.573399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.573399 (E_RNA)
where:
Base-Base interactions energy: -173.482
where: short stacking energy: -79.065
Base-Backbone interact. energy: -0.019
local terms energy: -90.072834
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -19.642
flat angles P-C4'-P energy: -14.468
tors. eta vs tors. theta energy: -28.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -255.953588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.953588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.953588 (E_RNA)
where:
Base-Base interactions energy: -171.146
where: short stacking energy: -84.013
Base-Backbone interact. energy: -0.045
local terms energy: -84.762418
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -18.128
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -26.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -247.089859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.089859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.089859 (E_RNA)
where:
Base-Base interactions energy: -164.094
where: short stacking energy: -84.804
Base-Backbone interact. energy: 0.262
local terms energy: -83.257732
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -18.068
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: -25.751
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: 4
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -225.192358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.192358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.192358 (E_RNA)
where:
Base-Base interactions energy: -148.597
where: short stacking energy: -62.739
Base-Backbone interact. energy: -0.576
local terms energy: -76.018932
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: -21.127
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: 6
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -227.693979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.693979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.693979 (E_RNA)
where:
Base-Base interactions energy: -145.425
where: short stacking energy: -68.819
Base-Backbone interact. energy: -0.072
local terms energy: -82.197144
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -17.948
flat angles C4'-P-C4' energy: -16.454
flat angles P-C4'-P energy: -11.667
tors. eta vs tors. theta energy: -22.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -98.471775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.471775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.471775 (E_RNA)
where:
Base-Base interactions energy: -33.871
where: short stacking energy: -33.871
Base-Backbone interact. energy: -0.021
local terms energy: -64.579950
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: -6.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -94.968737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.968737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.968737 (E_RNA)
where:
Base-Base interactions energy: -35.484
where: short stacking energy: -33.115
Base-Backbone interact. energy: -0.776
local terms energy: -58.709376
where:
bonds (distance) C4'-P energy: -17.486
bonds (distance) P-C4' energy: -20.821
flat angles C4'-P-C4' energy: -8.119
flat angles P-C4'-P energy: -8.253
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: 9, replica: 5
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -84.111260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.111260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.111260 (E_RNA)
where:
Base-Base interactions energy: -36.718
where: short stacking energy: -35.057
Base-Backbone interact. energy: 1.107
local terms energy: -48.500998
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -15.641
flat angles P-C4'-P energy: -5.983
tors. eta vs tors. theta energy: 3.668
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: 8
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -101.283257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.283257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.283257 (E_RNA)
where:
Base-Base interactions energy: -46.720
where: short stacking energy: -36.484
Base-Backbone interact. energy: -0.194
local terms energy: -54.369433
where:
bonds (distance) C4'-P energy: -11.482
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -11.157
flat angles P-C4'-P energy: -10.934
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: 1
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -257.351850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.351850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.351850 (E_RNA)
where:
Base-Base interactions energy: -164.083
where: short stacking energy: -79.079
Base-Backbone interact. energy: -0.621
local terms energy: -92.647548
where:
bonds (distance) C4'-P energy: -18.430
bonds (distance) P-C4' energy: -18.551
flat angles C4'-P-C4' energy: -18.807
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -24.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -249.649754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.649754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.649754 (E_RNA)
where:
Base-Base interactions energy: -166.126
where: short stacking energy: -76.861
Base-Backbone interact. energy: -0.100
local terms energy: -83.423412
where:
bonds (distance) C4'-P energy: -18.864
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -18.629
flat angles P-C4'-P energy: -7.079
tors. eta vs tors. theta energy: -22.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -241.794864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.794864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.794864 (E_RNA)
where:
Base-Base interactions energy: -163.608
where: short stacking energy: -73.934
Base-Backbone interact. energy: -0.025
local terms energy: -78.161732
where:
bonds (distance) C4'-P energy: -10.719
bonds (distance) P-C4' energy: -18.087
flat angles C4'-P-C4' energy: -19.263
flat angles P-C4'-P energy: -9.546
tors. eta vs tors. theta energy: -20.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -261.050276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.050276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.050276 (E_RNA)
where:
Base-Base interactions energy: -167.196
where: short stacking energy: -82.347
Base-Backbone interact. energy: -0.009
local terms energy: -93.845378
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -20.806
flat angles C4'-P-C4' energy: -17.893
flat angles P-C4'-P energy: -13.569
tors. eta vs tors. theta energy: -28.699
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: 5, replica: 4
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -239.648457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.648457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.648457 (E_RNA)
where:
Base-Base interactions energy: -155.975
where: short stacking energy: -68.611
Base-Backbone interact. energy: -0.133
local terms energy: -83.540181
where:
bonds (distance) C4'-P energy: -17.608
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -17.549
flat angles P-C4'-P energy: -10.179
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: 6, replica: 6
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -261.906178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.906178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.906178 (E_RNA)
where:
Base-Base interactions energy: -179.524
where: short stacking energy: -89.572
Base-Backbone interact. energy: -0.056
local terms energy: -82.325833
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -16.280
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -25.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -93.827734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.827734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.827734 (E_RNA)
where:
Base-Base interactions energy: -35.609
where: short stacking energy: -22.773
Base-Backbone interact. energy: 5.599
local terms energy: -63.818014
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -20.656
flat angles C4'-P-C4' energy: -18.181
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: -3.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -92.707467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.707467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.707467 (E_RNA)
where:
Base-Base interactions energy: -34.112
where: short stacking energy: -27.333
Base-Backbone interact. energy: -1.007
local terms energy: -57.588933
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -9.950
tors. eta vs tors. theta energy: -3.874
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: 9, replica: 3
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -88.179409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.179409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.179409 (E_RNA)
where:
Base-Base interactions energy: -39.553
where: short stacking energy: -37.933
Base-Backbone interact. energy: -0.175
local terms energy: -48.451296
where:
bonds (distance) C4'-P energy: -11.496
bonds (distance) P-C4' energy: -6.644
flat angles C4'-P-C4' energy: -16.593
flat angles P-C4'-P energy: -6.521
tors. eta vs tors. theta energy: -7.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -82.197164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.197164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.197164 (E_RNA)
where:
Base-Base interactions energy: -27.078
where: short stacking energy: -14.792
Base-Backbone interact. energy: -0.162
local terms energy: -54.957705
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -19.434
flat angles P-C4'-P energy: -8.154
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)
replica 1 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 24726243
moves confirmed later: 29998635
all moves confirmed: 54724878
percent of confirmed moves: 6.840610
current total energy: -232.533620
recalc. total energy: -232.533620
replica 10 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 16906696
moves confirmed later: 19453779
all moves confirmed: 36360475
percent of confirmed moves: 4.545059
current total energy: -206.705500
recalc. total energy: -206.705500
replica 9 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 15416427
moves confirmed later: 17479173
all moves confirmed: 32895600
percent of confirmed moves: 4.111950
current total energy: -189.050977
recalc. total energy: -189.050977
replica 2 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 13862611
moves confirmed later: 15345823
all moves confirmed: 29208434
percent of confirmed moves: 3.651054
current total energy: -203.526358
recalc. total energy: -203.526358
replica 6 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 16780417
moves confirmed later: 19339621
all moves confirmed: 36120038
percent of confirmed moves: 4.515005
current total energy: -186.610726
recalc. total energy: -186.610726
replica 4 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 14545015
moves confirmed later: 16293697
all moves confirmed: 30838712
percent of confirmed moves: 3.854839
current total energy: -207.595877
recalc. total energy: -207.595877
replica 5 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 15652041
moves confirmed later: 17754805
all moves confirmed: 33406846
percent of confirmed moves: 4.175856
current total energy: -60.272731
recalc. total energy: -60.272731
replica 7 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 29466003
moves confirmed later: 36392298
all moves confirmed: 65858301
percent of confirmed moves: 8.232288
current total energy: -43.986633
recalc. total energy: -43.986633
replica 3 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 28328445
moves confirmed later: 34766162
all moves confirmed: 63094607
percent of confirmed moves: 7.886826
current total energy: -61.163422
recalc. total energy: -61.163422
replica 8 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 28879748
moves confirmed later: 35569727
all moves confirmed: 64449475
percent of confirmed moves: 8.056184
current total energy: -22.207438
recalc. total energy: -22.207438
out arg RESULTS//1/22-Agno-O-0947bea8_01
Time of doing 8000000 iterations: 3058.103 seconds