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/F1-32cfb1e5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/F1-32cfb1e5/inputs/seq.fa: 1
curr_seq: _GAUGUCAGAGAGUGAGUGAUUAUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAUGUCAGAGAGUGAGUGAUUAUC
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/F1-32cfb1e5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/F1-32cfb1e5/inputs/seq.fa: 1
curr_seq: _GAUGUCAGAGAGUGAGUGAUUAUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAUGUCAGAGAGUGAGUGAUUAUC
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/F1-32cfb1e5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/F1-32cfb1e5/inputs/seq.fa: 1
curr_seq: _GAUGUCAGAGAGUGAGUGAUUAUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAUGUCAGAGAGUGAGUGAUUAUC
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/F1-32cfb1e5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/F1-32cfb1e5/inputs/seq.fa: 1
curr_seq: _GAUGUCAGAGAGUGAGUGAUUAUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAUGUCAGAGAGUGAGUGAUUAUC
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/F1-32cfb1e5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/F1-32cfb1e5/inputs/seq.fa: 1
curr_seq: _GAUGUCAGAGAGUGAGUGAUUAUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAUGUCAGAGAGUGAGUGAUUAUC
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/F1-32cfb1e5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/F1-32cfb1e5/inputs/seq.fa: 1
curr_seq: _GAUGUCAGAGAGUGAGUGAUUAUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAUGUCAGAGAGUGAGUGAUUAUC
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/F1-32cfb1e5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/F1-32cfb1e5/inputs/seq.fa: 1
curr_seq: _GAUGUCAGAGAGUGAGUGAUUAUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAUGUCAGAGAGUGAGUGAUUAUC
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/F1-32cfb1e5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/F1-32cfb1e5/inputs/seq.fa: 1
curr_seq: _GAUGUCAGAGAGUGAGUGAUUAUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAUGUCAGAGAGUGAGUGAUUAUC
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/F1-32cfb1e5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/F1-32cfb1e5/inputs/seq.fa: 1
curr_seq: _GAUGUCAGAGAGUGAGUGAUUAUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAUGUCAGAGAGUGAGUGAUUAUC
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/F1-32cfb1e5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/F1-32cfb1e5/inputs/seq.fa: 1
curr_seq: _GAUGUCAGAGAGUGAGUGAUUAUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAUGUCAGAGAGUGAGUGAUUAUC
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: -90.908162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.908162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.908162 (E_RNA)
where:
Base-Base interactions energy: -1.649
where: short stacking energy: -1.649
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: -90.908162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.908162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.908162 (E_RNA)
where:
Base-Base interactions energy: -1.649
where: short stacking energy: -1.649
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: -90.908162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.908162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.908162 (E_RNA)
where:
Base-Base interactions energy: -1.649
where: short stacking energy: -1.649
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: -90.908162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.908162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.908162 (E_RNA)
where:
Base-Base interactions energy: -1.649
where: short stacking energy: -1.649
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: -90.908162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.908162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.908162 (E_RNA)
where:
Base-Base interactions energy: -1.649
where: short stacking energy: -1.649
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: -90.908162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.908162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.908162 (E_RNA)
where:
Base-Base interactions energy: -1.649
where: short stacking energy: -1.649
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: -90.908162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.908162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.908162 (E_RNA)
where:
Base-Base interactions energy: -1.649
where: short stacking energy: -1.649
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: -90.908162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.908162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.908162 (E_RNA)
where:
Base-Base interactions energy: -1.649
where: short stacking energy: -1.649
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: -90.908162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.908162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.908162 (E_RNA)
where:
Base-Base interactions energy: -1.649
where: short stacking energy: -1.649
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: -90.908162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.908162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.908162 (E_RNA)
where:
Base-Base interactions energy: -1.649
where: short stacking energy: -1.649
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: -138.696344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.696344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.696344 (E_RNA)
where:
Base-Base interactions energy: -57.252
where: short stacking energy: -53.280
Base-Backbone interact. energy: -0.507
local terms energy: -80.938130
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -20.426
flat angles C4'-P-C4' energy: -16.969
flat angles P-C4'-P energy: -14.580
tors. eta vs tors. theta energy: -14.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -133.865631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.865631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.865631 (E_RNA)
where:
Base-Base interactions energy: -64.348
where: short stacking energy: -55.336
Base-Backbone interact. energy: -0.141
local terms energy: -69.376280
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -16.584
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -10.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -126.077185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.077185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.077185 (E_RNA)
where:
Base-Base interactions energy: -53.133
where: short stacking energy: -53.133
Base-Backbone interact. energy: -0.051
local terms energy: -72.893503
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -16.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -117.699731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.699731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.699731 (E_RNA)
where:
Base-Base interactions energy: -54.241
where: short stacking energy: -54.241
Base-Backbone interact. energy: -0.034
local terms energy: -63.425559
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -20.073
flat angles C4'-P-C4' energy: -12.655
flat angles P-C4'-P energy: -6.525
tors. eta vs tors. theta energy: -12.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -96.588423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.588423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.588423 (E_RNA)
where:
Base-Base interactions energy: -31.502
where: short stacking energy: -31.502
Base-Backbone interact. energy: -0.029
local terms energy: -65.057075
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -19.675
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -9.569
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: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -100.612812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.612812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.612812 (E_RNA)
where:
Base-Base interactions energy: -38.203
where: short stacking energy: -38.203
Base-Backbone interact. energy: -0.018
local terms energy: -62.391028
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -5.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -90.219473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.219473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.219473 (E_RNA)
where:
Base-Base interactions energy: -1.649
where: short stacking energy: -1.649
Base-Backbone interact. energy: -0.000
local terms energy: -88.570865
where:
bonds (distance) C4'-P energy: -23.202
bonds (distance) P-C4' energy: -22.360
flat angles C4'-P-C4' energy: -17.036
flat angles P-C4'-P energy: -20.083
tors. eta vs tors. theta energy: -5.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -93.375539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.375539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.375539 (E_RNA)
where:
Base-Base interactions energy: -45.305
where: short stacking energy: -32.549
Base-Backbone interact. energy: -1.129
local terms energy: -46.941306
where:
bonds (distance) C4'-P energy: -9.760
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -12.882
flat angles P-C4'-P energy: -7.257
tors. eta vs tors. theta energy: -0.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -90.219473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.219473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.219473 (E_RNA)
where:
Base-Base interactions energy: -1.649
where: short stacking energy: -1.649
Base-Backbone interact. energy: -0.000
local terms energy: -88.570865
where:
bonds (distance) C4'-P energy: -23.202
bonds (distance) P-C4' energy: -22.360
flat angles C4'-P-C4' energy: -17.036
flat angles P-C4'-P energy: -20.083
tors. eta vs tors. theta energy: -5.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -90.219473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.219473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.219473 (E_RNA)
where:
Base-Base interactions energy: -1.649
where: short stacking energy: -1.649
Base-Backbone interact. energy: -0.000
local terms energy: -88.570865
where:
bonds (distance) C4'-P energy: -23.202
bonds (distance) P-C4' energy: -22.360
flat angles C4'-P-C4' energy: -17.036
flat angles P-C4'-P energy: -20.083
tors. eta vs tors. theta energy: -5.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -144.398571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.398571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.398571 (E_RNA)
where:
Base-Base interactions energy: -67.401
where: short stacking energy: -44.066
Base-Backbone interact. energy: -0.691
local terms energy: -76.306223
where:
bonds (distance) C4'-P energy: -19.725
bonds (distance) P-C4' energy: -19.361
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -12.924
tors. eta vs tors. theta energy: -8.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -151.894223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.894223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.894223 (E_RNA)
where:
Base-Base interactions energy: -80.880
where: short stacking energy: -34.074
Base-Backbone interact. energy: -1.244
local terms energy: -69.770493
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -18.194
flat angles C4'-P-C4' energy: -17.615
flat angles P-C4'-P energy: -6.023
tors. eta vs tors. theta energy: -10.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -129.163555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.163555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.163555 (E_RNA)
where:
Base-Base interactions energy: -58.097
where: short stacking energy: -49.656
Base-Backbone interact. energy: -4.319
local terms energy: -66.747716
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -17.884
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -9.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -131.188413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.188413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.188413 (E_RNA)
where:
Base-Base interactions energy: -62.522
where: short stacking energy: -41.229
Base-Backbone interact. energy: -1.658
local terms energy: -67.009010
where:
bonds (distance) C4'-P energy: -18.395
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -13.453
tors. eta vs tors. theta energy: -6.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -127.877851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.877851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.877851 (E_RNA)
where:
Base-Base interactions energy: -52.862
where: short stacking energy: -35.602
Base-Backbone interact. energy: 0.042
local terms energy: -75.058009
where:
bonds (distance) C4'-P energy: -19.891
bonds (distance) P-C4' energy: -21.607
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -9.663
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: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -100.840737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.840737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.840737 (E_RNA)
where:
Base-Base interactions energy: -38.771
where: short stacking energy: -37.470
Base-Backbone interact. energy: -2.096
local terms energy: -59.973726
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -18.932
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -3.942
tors. eta vs tors. theta energy: -6.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -104.514618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.514618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.514618 (E_RNA)
where:
Base-Base interactions energy: -48.381
where: short stacking energy: -37.996
Base-Backbone interact. energy: -1.195
local terms energy: -54.938122
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -9.516
flat angles P-C4'-P energy: -14.087
tors. eta vs tors. theta energy: -4.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -91.680216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.680216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.680216 (E_RNA)
where:
Base-Base interactions energy: -40.415
where: short stacking energy: -18.615
Base-Backbone interact. energy: -0.246
local terms energy: -51.019952
where:
bonds (distance) C4'-P energy: -17.176
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -5.772
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: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -87.055156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.055156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.055156 (E_RNA)
where:
Base-Base interactions energy: -30.065
where: short stacking energy: -30.065
Base-Backbone interact. energy: -0.066
local terms energy: -56.924181
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: -3.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -95.592067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.592067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.592067 (E_RNA)
where:
Base-Base interactions energy: -57.860
where: short stacking energy: -27.495
Base-Backbone interact. energy: -0.277
local terms energy: -37.455136
where:
bonds (distance) C4'-P energy: -8.853
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -11.848
flat angles P-C4'-P energy: -5.751
tors. eta vs tors. theta energy: 4.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -181.086265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.086265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.086265 (E_RNA)
where:
Base-Base interactions energy: -105.855
where: short stacking energy: -46.375
Base-Backbone interact. energy: -0.064
local terms energy: -75.167243
where:
bonds (distance) C4'-P energy: -17.592
bonds (distance) P-C4' energy: -19.006
flat angles C4'-P-C4' energy: -18.922
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -11.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -145.420303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.420303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.420303 (E_RNA)
where:
Base-Base interactions energy: -75.945
where: short stacking energy: -60.296
Base-Backbone interact. energy: -0.001
local terms energy: -69.474519
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -16.016
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -10.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -130.270036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.270036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.270036 (E_RNA)
where:
Base-Base interactions energy: -59.840
where: short stacking energy: -49.435
Base-Backbone interact. energy: -0.094
local terms energy: -70.336092
where:
bonds (distance) C4'-P energy: -18.189
bonds (distance) P-C4' energy: -17.795
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -8.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -194.237999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.237999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.237999 (E_RNA)
where:
Base-Base interactions energy: -117.151
where: short stacking energy: -58.811
Base-Backbone interact. energy: -0.039
local terms energy: -77.048126
where:
bonds (distance) C4'-P energy: -15.617
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -17.461
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -17.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -120.873803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.873803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.873803 (E_RNA)
where:
Base-Base interactions energy: -59.699
where: short stacking energy: -42.301
Base-Backbone interact. energy: -0.626
local terms energy: -60.549552
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -10.920
flat angles P-C4'-P energy: -5.275
tors. eta vs tors. theta energy: -13.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -101.535053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.535053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.535053 (E_RNA)
where:
Base-Base interactions energy: -46.696
where: short stacking energy: -46.696
Base-Backbone interact. energy: 0.061
local terms energy: -54.899352
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -14.692
flat angles C4'-P-C4' energy: -8.748
flat angles P-C4'-P energy: -7.375
tors. eta vs tors. theta energy: -11.025
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: 6
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -106.645082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.645082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.645082 (E_RNA)
where:
Base-Base interactions energy: -52.539
where: short stacking energy: -42.057
Base-Backbone interact. energy: -0.107
local terms energy: -53.999097
where:
bonds (distance) C4'-P energy: -17.727
bonds (distance) P-C4' energy: -11.154
flat angles C4'-P-C4' energy: -11.901
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -5.158
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: 8, replica: 8
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -94.529401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.529401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.529401 (E_RNA)
where:
Base-Base interactions energy: -42.511
where: short stacking energy: -30.880
Base-Backbone interact. energy: -0.059
local terms energy: -51.959340
where:
bonds (distance) C4'-P energy: -11.508
bonds (distance) P-C4' energy: -18.486
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -2.487
tors. eta vs tors. theta energy: -4.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -97.006942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.006942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.006942 (E_RNA)
where:
Base-Base interactions energy: -44.428
where: short stacking energy: -38.792
Base-Backbone interact. energy: -0.428
local terms energy: -52.150486
where:
bonds (distance) C4'-P energy: -10.654
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -8.227
tors. eta vs tors. theta energy: -4.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -89.118570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.118570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.118570 (E_RNA)
where:
Base-Base interactions energy: -27.211
where: short stacking energy: -24.178
Base-Backbone interact. energy: -0.041
local terms energy: -61.866849
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -19.563
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -14.236
tors. eta vs tors. theta energy: -1.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -203.669112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.669112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.669112 (E_RNA)
where:
Base-Base interactions energy: -123.317
where: short stacking energy: -64.371
Base-Backbone interact. energy: 0.301
local terms energy: -80.652904
where:
bonds (distance) C4'-P energy: -12.266
bonds (distance) P-C4' energy: -17.080
flat angles C4'-P-C4' energy: -19.437
flat angles P-C4'-P energy: -13.449
tors. eta vs tors. theta energy: -18.420
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: 1
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -142.605677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.605677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.605677 (E_RNA)
where:
Base-Base interactions energy: -67.025
where: short stacking energy: -41.535
Base-Backbone interact. energy: -0.152
local terms energy: -75.428667
where:
bonds (distance) C4'-P energy: -17.840
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -11.589
tors. eta vs tors. theta energy: -10.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -134.986544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.986544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.986544 (E_RNA)
where:
Base-Base interactions energy: -60.669
where: short stacking energy: -48.502
Base-Backbone interact. energy: -0.178
local terms energy: -74.139998
where:
bonds (distance) C4'-P energy: -17.729
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -12.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -177.111811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.111811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.111811 (E_RNA)
where:
Base-Base interactions energy: -106.817
where: short stacking energy: -52.931
Base-Backbone interact. energy: -0.620
local terms energy: -69.674679
where:
bonds (distance) C4'-P energy: -13.576
bonds (distance) P-C4' energy: -15.028
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -13.778
tors. eta vs tors. theta energy: -12.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -113.119722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.119722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.119722 (E_RNA)
where:
Base-Base interactions energy: -48.694
where: short stacking energy: -48.694
Base-Backbone interact. energy: -0.111
local terms energy: -64.315342
where:
bonds (distance) C4'-P energy: -10.856
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -17.741
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -8.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -109.874466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.874466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.874466 (E_RNA)
where:
Base-Base interactions energy: -51.586
where: short stacking energy: -23.524
Base-Backbone interact. energy: -0.085
local terms energy: -58.203749
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -20.408
flat angles P-C4'-P energy: -6.293
tors. eta vs tors. theta energy: 3.926
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: 7
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -105.032655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.032655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.032655 (E_RNA)
where:
Base-Base interactions energy: -39.552
where: short stacking energy: -33.626
Base-Backbone interact. energy: -0.423
local terms energy: -65.057185
where:
bonds (distance) C4'-P energy: -20.238
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -8.704
tors. eta vs tors. theta energy: -3.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -93.875667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.875667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.875667 (E_RNA)
where:
Base-Base interactions energy: -28.494
where: short stacking energy: -27.104
Base-Backbone interact. energy: -0.116
local terms energy: -65.265404
where:
bonds (distance) C4'-P energy: -12.725
bonds (distance) P-C4' energy: -19.100
flat angles C4'-P-C4' energy: -13.453
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -7.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -77.641144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.641144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.641144 (E_RNA)
where:
Base-Base interactions energy: -22.522
where: short stacking energy: -22.522
Base-Backbone interact. energy: 0.973
local terms energy: -56.091706
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -17.922
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -5.104
tors. eta vs tors. theta energy: -5.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -82.632699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.632699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.632699 (E_RNA)
where:
Base-Base interactions energy: -29.042
where: short stacking energy: -29.042
Base-Backbone interact. energy: 0.543
local terms energy: -54.132946
where:
bonds (distance) C4'-P energy: -6.813
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -17.711
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -3.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -221.671119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.671119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.671119 (E_RNA)
where:
Base-Base interactions energy: -146.395
where: short stacking energy: -69.633
Base-Backbone interact. energy: -0.175
local terms energy: -75.100874
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -1.441
tors. eta vs tors. theta energy: -22.299
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: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -128.100958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.100958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.100958 (E_RNA)
where:
Base-Base interactions energy: -53.215
where: short stacking energy: -52.478
Base-Backbone interact. energy: -0.029
local terms energy: -74.857046
where:
bonds (distance) C4'-P energy: -17.779
bonds (distance) P-C4' energy: -19.225
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -12.882
tors. eta vs tors. theta energy: -10.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -200.788504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.788504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.788504 (E_RNA)
where:
Base-Base interactions energy: -114.447
where: short stacking energy: -48.149
Base-Backbone interact. energy: -0.806
local terms energy: -85.535513
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -21.128
flat angles C4'-P-C4' energy: -17.566
flat angles P-C4'-P energy: -13.808
tors. eta vs tors. theta energy: -18.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -123.569085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.569085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.569085 (E_RNA)
where:
Base-Base interactions energy: -59.619
where: short stacking energy: -47.300
Base-Backbone interact. energy: -0.084
local terms energy: -63.866300
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -9.155
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: 5, replica: 6
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -115.532383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.532383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.532383 (E_RNA)
where:
Base-Base interactions energy: -47.890
where: short stacking energy: -45.268
Base-Backbone interact. energy: 0.346
local terms energy: -67.988246
where:
bonds (distance) C4'-P energy: -16.736
bonds (distance) P-C4' energy: -17.219
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -10.093
tors. eta vs tors. theta energy: -10.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -114.431257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.431257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.431257 (E_RNA)
where:
Base-Base interactions energy: -44.561
where: short stacking energy: -44.561
Base-Backbone interact. energy: -0.163
local terms energy: -69.708225
where:
bonds (distance) C4'-P energy: -18.074
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -8.390
tors. eta vs tors. theta energy: -9.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -116.363126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.363126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.363126 (E_RNA)
where:
Base-Base interactions energy: -49.795
where: short stacking energy: -31.770
Base-Backbone interact. energy: 0.346
local terms energy: -66.914643
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -21.830
flat angles C4'-P-C4' energy: -9.034
flat angles P-C4'-P energy: -6.329
tors. eta vs tors. theta energy: -12.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -91.934040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.934040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.934040 (E_RNA)
where:
Base-Base interactions energy: -38.707
where: short stacking energy: -16.861
Base-Backbone interact. energy: 0.953
local terms energy: -54.179579
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: 1.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -88.534533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.534533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.534533 (E_RNA)
where:
Base-Base interactions energy: -26.783
where: short stacking energy: -22.242
Base-Backbone interact. energy: -1.224
local terms energy: -60.526801
where:
bonds (distance) C4'-P energy: -11.580
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -12.443
flat angles P-C4'-P energy: -14.628
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: 9
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -93.112819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.112819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.112819 (E_RNA)
where:
Base-Base interactions energy: -37.380
where: short stacking energy: -31.388
Base-Backbone interact. energy: -0.896
local terms energy: -54.837473
where:
bonds (distance) C4'-P energy: -17.253
bonds (distance) P-C4' energy: -13.813
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -5.237
tors. eta vs tors. theta energy: -4.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -232.645995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.645995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.645995 (E_RNA)
where:
Base-Base interactions energy: -153.434
where: short stacking energy: -71.587
Base-Backbone interact. energy: 0.403
local terms energy: -79.614378
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -18.996
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: -21.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -207.133906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.133906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.133906 (E_RNA)
where:
Base-Base interactions energy: -127.810
where: short stacking energy: -59.849
Base-Backbone interact. energy: -0.018
local terms energy: -79.305900
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -18.411
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -15.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -132.385638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.385638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.385638 (E_RNA)
where:
Base-Base interactions energy: -66.161
where: short stacking energy: -30.479
Base-Backbone interact. energy: 0.472
local terms energy: -66.696940
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -12.369
tors. eta vs tors. theta energy: -2.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -122.409018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.409018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.409018 (E_RNA)
where:
Base-Base interactions energy: -59.477
where: short stacking energy: -35.249
Base-Backbone interact. energy: -0.355
local terms energy: -62.577328
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -8.209
tors. eta vs tors. theta energy: -5.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -118.934362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.934362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.934362 (E_RNA)
where:
Base-Base interactions energy: -52.829
where: short stacking energy: -39.885
Base-Backbone interact. energy: -0.200
local terms energy: -65.905054
where:
bonds (distance) C4'-P energy: -9.337
bonds (distance) P-C4' energy: -19.288
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -11.450
tors. eta vs tors. theta energy: -12.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -90.811432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.811432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.811432 (E_RNA)
where:
Base-Base interactions energy: -37.001
where: short stacking energy: -30.593
Base-Backbone interact. energy: -0.222
local terms energy: -53.587762
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -11.297
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -2.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -93.686991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.686991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.686991 (E_RNA)
where:
Base-Base interactions energy: -43.891
where: short stacking energy: -27.018
Base-Backbone interact. energy: -0.033
local terms energy: -49.762952
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -17.908
flat angles C4'-P-C4' energy: -9.936
flat angles P-C4'-P energy: -8.160
tors. eta vs tors. theta energy: 0.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -88.665612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.665612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.665612 (E_RNA)
where:
Base-Base interactions energy: -31.686
where: short stacking energy: -27.451
Base-Backbone interact. energy: -0.641
local terms energy: -56.338191
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -12.530
flat angles P-C4'-P energy: -8.108
tors. eta vs tors. theta energy: -4.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -96.329737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.329737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.329737 (E_RNA)
where:
Base-Base interactions energy: -42.933
where: short stacking energy: -28.703
Base-Backbone interact. energy: -0.072
local terms energy: -53.324708
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -20.325
flat angles C4'-P-C4' energy: -9.280
flat angles P-C4'-P energy: -3.533
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: 10, replica: 9
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -91.463607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.463607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.463607 (E_RNA)
where:
Base-Base interactions energy: -38.122
where: short stacking energy: -25.829
Base-Backbone interact. energy: -0.038
local terms energy: -53.303863
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -11.659
flat angles P-C4'-P energy: -8.063
tors. eta vs tors. theta energy: -1.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -204.430727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.430727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.430727 (E_RNA)
where:
Base-Base interactions energy: -126.555
where: short stacking energy: -61.063
Base-Backbone interact. energy: -0.046
local terms energy: -77.829259
where:
bonds (distance) C4'-P energy: -18.466
bonds (distance) P-C4' energy: -16.208
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -12.519
tors. eta vs tors. theta energy: -14.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -222.258110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.258110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.258110 (E_RNA)
where:
Base-Base interactions energy: -144.028
where: short stacking energy: -66.247
Base-Backbone interact. energy: 0.617
local terms energy: -78.847857
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -18.458
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: -18.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -142.087633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.087633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.087633 (E_RNA)
where:
Base-Base interactions energy: -77.612
where: short stacking energy: -52.483
Base-Backbone interact. energy: 0.458
local terms energy: -64.933072
where:
bonds (distance) C4'-P energy: -15.441
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -10.241
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: 4, replica: 6
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -132.840455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.840455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.840455 (E_RNA)
where:
Base-Base interactions energy: -73.852
where: short stacking energy: -57.044
Base-Backbone interact. energy: -0.048
local terms energy: -58.939523
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -16.832
flat angles C4'-P-C4' energy: -11.502
flat angles P-C4'-P energy: -3.887
tors. eta vs tors. theta energy: -10.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -121.300034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.300034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.300034 (E_RNA)
where:
Base-Base interactions energy: -58.230
where: short stacking energy: -38.764
Base-Backbone interact. energy: -0.345
local terms energy: -62.725364
where:
bonds (distance) C4'-P energy: -17.887
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -16.152
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -2.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -117.272827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.272827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.272827 (E_RNA)
where:
Base-Base interactions energy: -55.790
where: short stacking energy: -36.284
Base-Backbone interact. energy: -0.135
local terms energy: -61.348758
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -21.107
flat angles C4'-P-C4' energy: -13.930
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -1.347
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: 8
Temperature: 1.200000
Total energy: -92.998406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.998406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.998406 (E_RNA)
where:
Base-Base interactions energy: -36.736
where: short stacking energy: -35.163
Base-Backbone interact. energy: -0.312
local terms energy: -55.949989
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -17.847
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -9.019
tors. eta vs tors. theta energy: -0.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -95.445232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.445232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.445232 (E_RNA)
where:
Base-Base interactions energy: -37.376
where: short stacking energy: -36.991
Base-Backbone interact. energy: -0.897
local terms energy: -57.171316
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -18.143
flat angles P-C4'-P energy: -6.474
tors. eta vs tors. theta energy: -1.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -99.295066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.295066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.295066 (E_RNA)
where:
Base-Base interactions energy: -45.584
where: short stacking energy: -19.860
Base-Backbone interact. energy: -0.223
local terms energy: -53.488736
where:
bonds (distance) C4'-P energy: -15.736
bonds (distance) P-C4' energy: -17.636
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -6.618
tors. eta vs tors. theta energy: -0.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -85.299907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.299907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.299907 (E_RNA)
where:
Base-Base interactions energy: -33.169
where: short stacking energy: -33.169
Base-Backbone interact. energy: 0.333
local terms energy: -52.463876
where:
bonds (distance) C4'-P energy: -7.106
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -9.523
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: 1, replica: 2
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -212.308522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.308522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.308522 (E_RNA)
where:
Base-Base interactions energy: -124.615
where: short stacking energy: -69.606
Base-Backbone interact. energy: -1.338
local terms energy: -86.355219
where:
bonds (distance) C4'-P energy: -17.512
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -18.750
flat angles P-C4'-P energy: -9.665
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: 2, replica: 3
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -206.255514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.255514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.255514 (E_RNA)
where:
Base-Base interactions energy: -127.809
where: short stacking energy: -59.249
Base-Backbone interact. energy: -0.909
local terms energy: -77.537689
where:
bonds (distance) C4'-P energy: -17.883
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -12.591
tors. eta vs tors. theta energy: -16.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -153.950449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.950449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.950449 (E_RNA)
where:
Base-Base interactions energy: -88.562
where: short stacking energy: -47.530
Base-Backbone interact. energy: -0.391
local terms energy: -64.998087
where:
bonds (distance) C4'-P energy: -15.384
bonds (distance) P-C4' energy: -14.341
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -13.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -127.699993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.699993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.699993 (E_RNA)
where:
Base-Base interactions energy: -63.302
where: short stacking energy: -27.713
Base-Backbone interact. energy: -0.686
local terms energy: -63.711636
where:
bonds (distance) C4'-P energy: -17.950
bonds (distance) P-C4' energy: -18.026
flat angles C4'-P-C4' energy: -11.560
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -6.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -102.711364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.711364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.711364 (E_RNA)
where:
Base-Base interactions energy: -37.493
where: short stacking energy: -25.287
Base-Backbone interact. energy: -0.393
local terms energy: -64.825240
where:
bonds (distance) C4'-P energy: -16.060
bonds (distance) P-C4' energy: -20.081
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -12.138
tors. eta vs tors. theta energy: -1.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -108.722527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.722527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.722527 (E_RNA)
where:
Base-Base interactions energy: -50.654
where: short stacking energy: -43.128
Base-Backbone interact. energy: -0.138
local terms energy: -57.930497
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -18.726
flat angles P-C4'-P energy: -5.030
tors. eta vs tors. theta energy: -4.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -100.611203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.611203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.611203 (E_RNA)
where:
Base-Base interactions energy: -49.508
where: short stacking energy: -28.933
Base-Backbone interact. energy: -0.359
local terms energy: -50.744207
where:
bonds (distance) C4'-P energy: -13.769
bonds (distance) P-C4' energy: -16.197
flat angles C4'-P-C4' energy: -12.934
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -0.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -85.916954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.916954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.916954 (E_RNA)
where:
Base-Base interactions energy: -34.059
where: short stacking energy: -34.059
Base-Backbone interact. energy: -0.327
local terms energy: -51.531173
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -11.595
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: 1.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -107.178595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.178595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.178595 (E_RNA)
where:
Base-Base interactions energy: -52.127
where: short stacking energy: -42.315
Base-Backbone interact. energy: -0.253
local terms energy: -54.799383
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -20.556
flat angles C4'-P-C4' energy: -12.048
flat angles P-C4'-P energy: -4.824
tors. eta vs tors. theta energy: -1.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -77.329721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.329721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.329721 (E_RNA)
where:
Base-Base interactions energy: -19.100
where: short stacking energy: -14.336
Base-Backbone interact. energy: 0.603
local terms energy: -58.833166
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -19.613
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -6.520
tors. eta vs tors. theta energy: -1.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -208.605758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.605758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.605758 (E_RNA)
where:
Base-Base interactions energy: -132.231
where: short stacking energy: -65.569
Base-Backbone interact. energy: 2.482
local terms energy: -78.856368
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -18.262
flat angles C4'-P-C4' energy: -14.641
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -17.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -204.751006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.751006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.751006 (E_RNA)
where:
Base-Base interactions energy: -129.943
where: short stacking energy: -54.907
Base-Backbone interact. energy: 2.536
local terms energy: -77.343502
where:
bonds (distance) C4'-P energy: -18.445
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -13.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -113.383867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.383867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.383867 (E_RNA)
where:
Base-Base interactions energy: -52.475
where: short stacking energy: -37.064
Base-Backbone interact. energy: -0.964
local terms energy: -59.944784
where:
bonds (distance) C4'-P energy: -11.947
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -7.506
tors. eta vs tors. theta energy: -8.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -192.988907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.988907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.988907 (E_RNA)
where:
Base-Base interactions energy: -116.587
where: short stacking energy: -54.835
Base-Backbone interact. energy: -0.243
local terms energy: -76.159377
where:
bonds (distance) C4'-P energy: -17.006
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -19.367
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -13.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -116.852281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.852281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.852281 (E_RNA)
where:
Base-Base interactions energy: -42.699
where: short stacking energy: -36.829
Base-Backbone interact. energy: -0.184
local terms energy: -73.969911
where:
bonds (distance) C4'-P energy: -17.833
bonds (distance) P-C4' energy: -18.634
flat angles C4'-P-C4' energy: -18.267
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -7.658
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: 10
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -95.824588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.824588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.824588 (E_RNA)
where:
Base-Base interactions energy: -38.152
where: short stacking energy: -38.152
Base-Backbone interact. energy: -0.154
local terms energy: -57.518468
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -13.672
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -3.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -93.833593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.833593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.833593 (E_RNA)
where:
Base-Base interactions energy: -37.344
where: short stacking energy: -23.050
Base-Backbone interact. energy: -0.074
local terms energy: -56.415743
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -18.100
flat angles C4'-P-C4' energy: -16.953
flat angles P-C4'-P energy: -6.945
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: 8, replica: 4
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -98.884731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.884731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.884731 (E_RNA)
where:
Base-Base interactions energy: -32.370
where: short stacking energy: -32.370
Base-Backbone interact. energy: 0.176
local terms energy: -66.691331
where:
bonds (distance) C4'-P energy: -17.157
bonds (distance) P-C4' energy: -20.445
flat angles C4'-P-C4' energy: -11.288
flat angles P-C4'-P energy: -10.272
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: 8
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -100.850771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.850771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.850771 (E_RNA)
where:
Base-Base interactions energy: -46.133
where: short stacking energy: -29.826
Base-Backbone interact. energy: -0.063
local terms energy: -54.654371
where:
bonds (distance) C4'-P energy: -18.412
bonds (distance) P-C4' energy: -11.953
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -6.853
tors. eta vs tors. theta energy: -4.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -84.089581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.089581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.089581 (E_RNA)
where:
Base-Base interactions energy: -28.742
where: short stacking energy: -28.126
Base-Backbone interact. energy: -0.658
local terms energy: -54.688656
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -19.246
flat angles C4'-P-C4' energy: -14.224
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: 0.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -211.452878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.452878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.452878 (E_RNA)
where:
Base-Base interactions energy: -125.665
where: short stacking energy: -64.310
Base-Backbone interact. energy: -0.137
local terms energy: -85.651320
where:
bonds (distance) C4'-P energy: -18.802
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -17.343
flat angles P-C4'-P energy: -14.344
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: 2, replica: 3
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -216.202651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.202651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.202651 (E_RNA)
where:
Base-Base interactions energy: -136.234
where: short stacking energy: -43.945
Base-Backbone interact. energy: -0.513
local terms energy: -79.456053
where:
bonds (distance) C4'-P energy: -17.722
bonds (distance) P-C4' energy: -17.501
flat angles C4'-P-C4' energy: -19.049
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -16.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -163.229809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.229809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.229809 (E_RNA)
where:
Base-Base interactions energy: -95.082
where: short stacking energy: -52.722
Base-Backbone interact. energy: -0.899
local terms energy: -67.248516
where:
bonds (distance) C4'-P energy: -19.546
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -11.374
flat angles P-C4'-P energy: -12.982
tors. eta vs tors. theta energy: -8.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -191.596081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.596081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.596081 (E_RNA)
where:
Base-Base interactions energy: -124.891
where: short stacking energy: -64.336
Base-Backbone interact. energy: -0.851
local terms energy: -65.853530
where:
bonds (distance) C4'-P energy: -9.384
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -15.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -114.617462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.617462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.617462 (E_RNA)
where:
Base-Base interactions energy: -53.040
where: short stacking energy: -53.240
Base-Backbone interact. energy: -0.006
local terms energy: -61.571270
where:
bonds (distance) C4'-P energy: -15.797
bonds (distance) P-C4' energy: -9.653
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -12.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -107.713060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.713060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.713060 (E_RNA)
where:
Base-Base interactions energy: -43.438
where: short stacking energy: -33.816
Base-Backbone interact. energy: -0.053
local terms energy: -64.221643
where:
bonds (distance) C4'-P energy: -16.141
bonds (distance) P-C4' energy: -21.271
flat angles C4'-P-C4' energy: -16.309
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -1.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -118.399292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.399292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.399292 (E_RNA)
where:
Base-Base interactions energy: -50.766
where: short stacking energy: -41.891
Base-Backbone interact. energy: -0.069
local terms energy: -67.563808
where:
bonds (distance) C4'-P energy: -19.766
bonds (distance) P-C4' energy: -17.266
flat angles C4'-P-C4' energy: -12.991
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -8.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -88.821397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.821397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.821397 (E_RNA)
where:
Base-Base interactions energy: -29.027
where: short stacking energy: -18.279
Base-Backbone interact. energy: -0.337
local terms energy: -59.457946
where:
bonds (distance) C4'-P energy: -15.050
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -12.747
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -0.456
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: 8
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -83.426811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.426811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.426811 (E_RNA)
where:
Base-Base interactions energy: -23.670
where: short stacking energy: -18.044
Base-Backbone interact. energy: 2.536
local terms energy: -62.292266
where:
bonds (distance) C4'-P energy: -10.414
bonds (distance) P-C4' energy: -19.616
flat angles C4'-P-C4' energy: -17.789
flat angles P-C4'-P energy: -12.798
tors. eta vs tors. theta energy: -1.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -92.214245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.214245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.214245 (E_RNA)
where:
Base-Base interactions energy: -29.114
where: short stacking energy: -24.608
Base-Backbone interact. energy: 0.412
local terms energy: -63.512575
where:
bonds (distance) C4'-P energy: -19.246
bonds (distance) P-C4' energy: -14.667
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -9.046
tors. eta vs tors. theta energy: -4.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -216.236982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.236982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.236982 (E_RNA)
where:
Base-Base interactions energy: -128.397
where: short stacking energy: -72.118
Base-Backbone interact. energy: -0.016
local terms energy: -87.823191
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -17.825
flat angles C4'-P-C4' energy: -19.914
flat angles P-C4'-P energy: -12.694
tors. eta vs tors. theta energy: -22.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -210.526423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.526423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.526423 (E_RNA)
where:
Base-Base interactions energy: -135.299
where: short stacking energy: -61.168
Base-Backbone interact. energy: -1.125
local terms energy: -74.102250
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -16.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -219.192136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.192136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.192136 (E_RNA)
where:
Base-Base interactions energy: -143.712
where: short stacking energy: -68.538
Base-Backbone interact. energy: -0.510
local terms energy: -74.970015
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -18.033
flat angles P-C4'-P energy: -12.537
tors. eta vs tors. theta energy: -18.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -160.467771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.467771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.467771 (E_RNA)
where:
Base-Base interactions energy: -90.806
where: short stacking energy: -40.450
Base-Backbone interact. energy: -0.451
local terms energy: -69.210852
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -18.346
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -11.907
tors. eta vs tors. theta energy: -9.158
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: 7
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -110.380965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.380965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.380965 (E_RNA)
where:
Base-Base interactions energy: -40.078
where: short stacking energy: -40.078
Base-Backbone interact. energy: -0.008
local terms energy: -70.295335
where:
bonds (distance) C4'-P energy: -18.152
bonds (distance) P-C4' energy: -18.677
flat angles C4'-P-C4' energy: -13.154
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -8.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -96.760185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.760185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.760185 (E_RNA)
where:
Base-Base interactions energy: -36.094
where: short stacking energy: -36.094
Base-Backbone interact. energy: -0.306
local terms energy: -60.359637
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -19.901
flat angles C4'-P-C4' energy: -11.570
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: -6.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -111.977439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.977439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.977439 (E_RNA)
where:
Base-Base interactions energy: -63.865
where: short stacking energy: -11.492
Base-Backbone interact. energy: -0.134
local terms energy: -47.979296
where:
bonds (distance) C4'-P energy: -15.201
bonds (distance) P-C4' energy: -14.601
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: 5.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -88.320627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.320627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.320627 (E_RNA)
where:
Base-Base interactions energy: -34.710
where: short stacking energy: -24.132
Base-Backbone interact. energy: -0.873
local terms energy: -52.738563
where:
bonds (distance) C4'-P energy: -18.297
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -4.694
tors. eta vs tors. theta energy: -2.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -83.213013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.213013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.213013 (E_RNA)
where:
Base-Base interactions energy: -26.061
where: short stacking energy: -18.842
Base-Backbone interact. energy: 0.778
local terms energy: -57.929328
where:
bonds (distance) C4'-P energy: -17.526
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -9.867
flat angles P-C4'-P energy: -12.172
tors. eta vs tors. theta energy: -1.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -80.605122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.605122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.605122 (E_RNA)
where:
Base-Base interactions energy: -34.603
where: short stacking energy: -19.548
Base-Backbone interact. energy: -0.451
local terms energy: -45.550492
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -13.333
flat angles C4'-P-C4' energy: -11.165
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: 0.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -208.059779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.059779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.059779 (E_RNA)
where:
Base-Base interactions energy: -125.556
where: short stacking energy: -62.459
Base-Backbone interact. energy: -0.563
local terms energy: -81.940879
where:
bonds (distance) C4'-P energy: -18.591
bonds (distance) P-C4' energy: -14.805
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: -22.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -233.561307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.561307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.561307 (E_RNA)
where:
Base-Base interactions energy: -154.688
where: short stacking energy: -65.846
Base-Backbone interact. energy: -2.726
local terms energy: -76.147005
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -15.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -194.503138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.503138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.503138 (E_RNA)
where:
Base-Base interactions energy: -116.050
where: short stacking energy: -51.354
Base-Backbone interact. energy: -0.033
local terms energy: -78.419682
where:
bonds (distance) C4'-P energy: -19.369
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -12.039
flat angles P-C4'-P energy: -11.921
tors. eta vs tors. theta energy: -19.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -115.385839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.385839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.385839 (E_RNA)
where:
Base-Base interactions energy: -55.842
where: short stacking energy: -41.485
Base-Backbone interact. energy: -0.105
local terms energy: -59.438403
where:
bonds (distance) C4'-P energy: -11.258
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -6.667
tors. eta vs tors. theta energy: -8.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -158.276899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.276899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.276899 (E_RNA)
where:
Base-Base interactions energy: -90.369
where: short stacking energy: -37.477
Base-Backbone interact. energy: -0.230
local terms energy: -67.677625
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -17.100
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: -10.417
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: 13
Temperature: 1.150000
Total energy: -112.037032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.037032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.037032 (E_RNA)
where:
Base-Base interactions energy: -53.622
where: short stacking energy: -28.605
Base-Backbone interact. energy: -0.275
local terms energy: -58.140491
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -12.773
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -3.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -113.131179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.131179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.131179 (E_RNA)
where:
Base-Base interactions energy: -47.661
where: short stacking energy: -32.396
Base-Backbone interact. energy: -0.317
local terms energy: -65.152877
where:
bonds (distance) C4'-P energy: -16.223
bonds (distance) P-C4' energy: -11.062
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: -10.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -94.786739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.786739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.786739 (E_RNA)
where:
Base-Base interactions energy: -35.915
where: short stacking energy: -24.356
Base-Backbone interact. energy: -0.040
local terms energy: -58.832068
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -17.398
flat angles C4'-P-C4' energy: -9.116
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -8.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -81.518063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.518063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.518063 (E_RNA)
where:
Base-Base interactions energy: -21.509
where: short stacking energy: -11.695
Base-Backbone interact. energy: 1.082
local terms energy: -61.090670
where:
bonds (distance) C4'-P energy: -15.334
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -4.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -84.252932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.252932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.252932 (E_RNA)
where:
Base-Base interactions energy: -40.791
where: short stacking energy: -25.573
Base-Backbone interact. energy: -0.163
local terms energy: -43.298929
where:
bonds (distance) C4'-P energy: -8.846
bonds (distance) P-C4' energy: -11.403
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -10.515
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: 1
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -232.981218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.981218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.981218 (E_RNA)
where:
Base-Base interactions energy: -160.051
where: short stacking energy: -61.753
Base-Backbone interact. energy: -0.140
local terms energy: -72.790191
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -13.440
tors. eta vs tors. theta energy: -15.175
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: 3
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -205.994775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.994775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.994775 (E_RNA)
where:
Base-Base interactions energy: -124.163
where: short stacking energy: -55.688
Base-Backbone interact. energy: 0.085
local terms energy: -81.916396
where:
bonds (distance) C4'-P energy: -17.999
bonds (distance) P-C4' energy: -17.718
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -14.616
tors. eta vs tors. theta energy: -16.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -193.741851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.741851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.741851 (E_RNA)
where:
Base-Base interactions energy: -114.745
where: short stacking energy: -54.744
Base-Backbone interact. energy: -0.086
local terms energy: -78.910903
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -19.548
flat angles C4'-P-C4' energy: -13.661
flat angles P-C4'-P energy: -13.309
tors. eta vs tors. theta energy: -16.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -136.834611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.834611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.834611 (E_RNA)
where:
Base-Base interactions energy: -63.646
where: short stacking energy: -52.630
Base-Backbone interact. energy: -0.154
local terms energy: -73.035139
where:
bonds (distance) C4'-P energy: -17.393
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -12.873
tors. eta vs tors. theta energy: -8.171
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: 6
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -162.928406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.928406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.928406 (E_RNA)
where:
Base-Base interactions energy: -97.480
where: short stacking energy: -45.443
Base-Backbone interact. energy: -0.769
local terms energy: -64.679472
where:
bonds (distance) C4'-P energy: -13.401
bonds (distance) P-C4' energy: -15.911
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -13.448
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: 6, replica: 9
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -105.094200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.094200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.094200 (E_RNA)
where:
Base-Base interactions energy: -42.595
where: short stacking energy: -36.556
Base-Backbone interact. energy: -0.949
local terms energy: -61.550439
where:
bonds (distance) C4'-P energy: -12.404
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -5.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -108.434701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.434701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.434701 (E_RNA)
where:
Base-Base interactions energy: -46.910
where: short stacking energy: -36.725
Base-Backbone interact. energy: -0.827
local terms energy: -60.696852
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -6.577
tors. eta vs tors. theta energy: -7.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -90.115429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.115429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.115429 (E_RNA)
where:
Base-Base interactions energy: -39.755
where: short stacking energy: -27.094
Base-Backbone interact. energy: 0.297
local terms energy: -50.656907
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -13.854
flat angles C4'-P-C4' energy: -12.410
flat angles P-C4'-P energy: -8.401
tors. eta vs tors. theta energy: -2.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -81.643996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.643996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.643996 (E_RNA)
where:
Base-Base interactions energy: -36.805
where: short stacking energy: -16.701
Base-Backbone interact. energy: -0.207
local terms energy: -44.632416
where:
bonds (distance) C4'-P energy: -16.848
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -11.430
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: 7.378
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: 4
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -81.988341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.988341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.988341 (E_RNA)
where:
Base-Base interactions energy: -19.714
where: short stacking energy: -19.548
Base-Backbone interact. energy: 0.278
local terms energy: -62.552746
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -11.564
tors. eta vs tors. theta energy: -2.882
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: 1
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -242.637505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.637505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.637505 (E_RNA)
where:
Base-Base interactions energy: -163.535
where: short stacking energy: -62.497
Base-Backbone interact. energy: -0.886
local terms energy: -78.217214
where:
bonds (distance) C4'-P energy: -18.287
bonds (distance) P-C4' energy: -16.789
flat angles C4'-P-C4' energy: -19.353
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -14.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -205.804734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.804734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.804734 (E_RNA)
where:
Base-Base interactions energy: -126.277
where: short stacking energy: -61.377
Base-Backbone interact. energy: -0.008
local terms energy: -79.519271
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -18.921
flat angles C4'-P-C4' energy: -16.894
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -15.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -191.426574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.426574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.426574 (E_RNA)
where:
Base-Base interactions energy: -128.546
where: short stacking energy: -51.360
Base-Backbone interact. energy: -0.185
local terms energy: -62.696085
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -17.957
flat angles P-C4'-P energy: -7.785
tors. eta vs tors. theta energy: -9.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -187.953959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.953959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.953959 (E_RNA)
where:
Base-Base interactions energy: -126.138
where: short stacking energy: -50.911
Base-Backbone interact. energy: -0.132
local terms energy: -61.683689
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -11.891
flat angles C4'-P-C4' energy: -15.003
flat angles P-C4'-P energy: -10.169
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: 5, replica: 7
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -126.882377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.882377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.882377 (E_RNA)
where:
Base-Base interactions energy: -69.800
where: short stacking energy: -42.830
Base-Backbone interact. energy: -0.749
local terms energy: -56.334266
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -18.650
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -7.352
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: 6, replica: 8
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -119.045768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.045768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.045768 (E_RNA)
where:
Base-Base interactions energy: -59.588
where: short stacking energy: -32.178
Base-Backbone interact. energy: -0.145
local terms energy: -59.312088
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -10.857
flat angles P-C4'-P energy: -8.788
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: 7, replica: 9
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -101.239167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.239167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.239167 (E_RNA)
where:
Base-Base interactions energy: -39.086
where: short stacking energy: -36.415
Base-Backbone interact. energy: -0.021
local terms energy: -62.131943
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -10.491
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -9.682
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: 10
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -89.582157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.582157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.582157 (E_RNA)
where:
Base-Base interactions energy: -31.430
where: short stacking energy: -21.136
Base-Backbone interact. energy: 0.312
local terms energy: -58.463946
where:
bonds (distance) C4'-P energy: -17.577
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -17.415
flat angles P-C4'-P energy: -5.859
tors. eta vs tors. theta energy: 0.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -95.085319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.085319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.085319 (E_RNA)
where:
Base-Base interactions energy: -44.908
where: short stacking energy: -23.070
Base-Backbone interact. energy: 2.719
local terms energy: -52.896382
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -11.130
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -6.474
tors. eta vs tors. theta energy: -6.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -84.801614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.801614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.801614 (E_RNA)
where:
Base-Base interactions energy: -29.210
where: short stacking energy: -20.241
Base-Backbone interact. energy: -1.087
local terms energy: -54.504634
where:
bonds (distance) C4'-P energy: -20.519
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -8.641
flat angles P-C4'-P energy: -8.627
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: 1
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -230.915626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.915626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.915626 (E_RNA)
where:
Base-Base interactions energy: -156.642
where: short stacking energy: -64.744
Base-Backbone interact. energy: -0.261
local terms energy: -74.012987
where:
bonds (distance) C4'-P energy: -19.237
bonds (distance) P-C4' energy: -16.321
flat angles C4'-P-C4' energy: -17.260
flat angles P-C4'-P energy: -6.991
tors. eta vs tors. theta energy: -14.204
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: 3
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -197.115303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.115303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.115303 (E_RNA)
where:
Base-Base interactions energy: -119.729
where: short stacking energy: -55.817
Base-Backbone interact. energy: -0.054
local terms energy: -77.332440
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -18.473
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -11.595
tors. eta vs tors. theta energy: -16.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -233.519242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.519242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.519242 (E_RNA)
where:
Base-Base interactions energy: -162.957
where: short stacking energy: -66.143
Base-Backbone interact. energy: -0.181
local terms energy: -70.380857
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -9.009
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: 4, replica: 2
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -215.066000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.066000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.066000 (E_RNA)
where:
Base-Base interactions energy: -141.978
where: short stacking energy: -61.730
Base-Backbone interact. energy: -0.830
local terms energy: -72.258000
where:
bonds (distance) C4'-P energy: -18.848
bonds (distance) P-C4' energy: -11.704
flat angles C4'-P-C4' energy: -18.210
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: -15.040
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: 8
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -122.311206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.311206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.311206 (E_RNA)
where:
Base-Base interactions energy: -52.849
where: short stacking energy: -35.557
Base-Backbone interact. energy: -0.531
local terms energy: -68.931106
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -18.291
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -12.712
tors. eta vs tors. theta energy: -8.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -119.814371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.814371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.814371 (E_RNA)
where:
Base-Base interactions energy: -57.601
where: short stacking energy: -27.659
Base-Backbone interact. energy: -0.260
local terms energy: -61.952712
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: -10.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -96.572315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.572315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.572315 (E_RNA)
where:
Base-Base interactions energy: -37.386
where: short stacking energy: -35.783
Base-Backbone interact. energy: -0.151
local terms energy: -59.034970
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -14.890
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -3.347
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: 10
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -97.619876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.619876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.619876 (E_RNA)
where:
Base-Base interactions energy: -47.808
where: short stacking energy: -29.204
Base-Backbone interact. energy: -0.698
local terms energy: -49.114065
where:
bonds (distance) C4'-P energy: -10.875
bonds (distance) P-C4' energy: -16.126
flat angles C4'-P-C4' energy: -18.026
flat angles P-C4'-P energy: -2.658
tors. eta vs tors. theta energy: -1.429
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: 4
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -88.747102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.747102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.747102 (E_RNA)
where:
Base-Base interactions energy: -25.842
where: short stacking energy: -24.810
Base-Backbone interact. energy: -1.112
local terms energy: -61.792730
where:
bonds (distance) C4'-P energy: -17.104
bonds (distance) P-C4' energy: -17.758
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -1.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -87.169481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.169481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.169481 (E_RNA)
where:
Base-Base interactions energy: -35.588
where: short stacking energy: -26.692
Base-Backbone interact. energy: -0.382
local terms energy: -51.199430
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -8.597
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -3.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -214.760276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.760276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.760276 (E_RNA)
where:
Base-Base interactions energy: -134.513
where: short stacking energy: -56.308
Base-Backbone interact. energy: -0.095
local terms energy: -80.151595
where:
bonds (distance) C4'-P energy: -17.631
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -18.894
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: -16.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -232.525019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.525019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.525019 (E_RNA)
where:
Base-Base interactions energy: -149.654
where: short stacking energy: -64.869
Base-Backbone interact. energy: -0.125
local terms energy: -82.745748
where:
bonds (distance) C4'-P energy: -16.841
bonds (distance) P-C4' energy: -19.850
flat angles C4'-P-C4' energy: -21.271
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -15.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -187.584208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.584208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.584208 (E_RNA)
where:
Base-Base interactions energy: -108.544
where: short stacking energy: -47.875
Base-Backbone interact. energy: -0.408
local terms energy: -78.632329
where:
bonds (distance) C4'-P energy: -18.845
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -15.153
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: 2
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -214.056126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.056126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.056126 (E_RNA)
where:
Base-Base interactions energy: -144.640
where: short stacking energy: -61.741
Base-Backbone interact. energy: 0.318
local terms energy: -69.734368
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -12.325
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: -15.182
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: 8
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -119.027300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.027300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.027300 (E_RNA)
where:
Base-Base interactions energy: -50.643
where: short stacking energy: -38.610
Base-Backbone interact. energy: 0.266
local terms energy: -68.650312
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -10.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -119.518752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.518752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.518752 (E_RNA)
where:
Base-Base interactions energy: -51.431
where: short stacking energy: -39.686
Base-Backbone interact. energy: -0.064
local terms energy: -68.024123
where:
bonds (distance) C4'-P energy: -16.538
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -10.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -105.591058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.591058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.591058 (E_RNA)
where:
Base-Base interactions energy: -36.869
where: short stacking energy: -30.217
Base-Backbone interact. energy: -0.115
local terms energy: -68.607369
where:
bonds (distance) C4'-P energy: -17.128
bonds (distance) P-C4' energy: -19.603
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -12.649
tors. eta vs tors. theta energy: -4.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -98.517981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.517981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.517981 (E_RNA)
where:
Base-Base interactions energy: -34.276
where: short stacking energy: -28.142
Base-Backbone interact. energy: -0.377
local terms energy: -63.864976
where:
bonds (distance) C4'-P energy: -15.563
bonds (distance) P-C4' energy: -18.111
flat angles C4'-P-C4' energy: -14.513
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -5.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -99.026733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.026733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.026733 (E_RNA)
where:
Base-Base interactions energy: -42.036
where: short stacking energy: -36.443
Base-Backbone interact. energy: -0.517
local terms energy: -56.472797
where:
bonds (distance) C4'-P energy: -17.965
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -12.337
flat angles P-C4'-P energy: -7.384
tors. eta vs tors. theta energy: -5.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -82.451234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.451234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.451234 (E_RNA)
where:
Base-Base interactions energy: -35.852
where: short stacking energy: -10.943
Base-Backbone interact. energy: -0.762
local terms energy: -45.837455
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -4.282
tors. eta vs tors. theta energy: 5.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -251.566738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.566738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.566738 (E_RNA)
where:
Base-Base interactions energy: -178.757
where: short stacking energy: -78.826
Base-Backbone interact. energy: -0.127
local terms energy: -72.682918
where:
bonds (distance) C4'-P energy: -11.096
bonds (distance) P-C4' energy: -13.127
flat angles C4'-P-C4' energy: -19.063
flat angles P-C4'-P energy: -9.092
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: 2, replica: 1
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -219.802516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.802516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.802516 (E_RNA)
where:
Base-Base interactions energy: -140.010
where: short stacking energy: -59.893
Base-Backbone interact. energy: -1.303
local terms energy: -78.489225
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -19.267
flat angles C4'-P-C4' energy: -18.472
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -13.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -218.685333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.685333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.685333 (E_RNA)
where:
Base-Base interactions energy: -137.501
where: short stacking energy: -62.835
Base-Backbone interact. energy: -0.118
local terms energy: -81.066024
where:
bonds (distance) C4'-P energy: -17.114
bonds (distance) P-C4' energy: -19.021
flat angles C4'-P-C4' energy: -18.156
flat angles P-C4'-P energy: -14.158
tors. eta vs tors. theta energy: -12.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -191.399875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.399875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.399875 (E_RNA)
where:
Base-Base interactions energy: -116.961
where: short stacking energy: -64.296
Base-Backbone interact. energy: -0.244
local terms energy: -74.194833
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: -18.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -106.027441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.027441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.027441 (E_RNA)
where:
Base-Base interactions energy: -51.634
where: short stacking energy: -35.738
Base-Backbone interact. energy: -0.115
local terms energy: -54.278580
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -2.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -124.475918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.475918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.475918 (E_RNA)
where:
Base-Base interactions energy: -60.557
where: short stacking energy: -38.517
Base-Backbone interact. energy: -0.170
local terms energy: -63.749206
where:
bonds (distance) C4'-P energy: -17.389
bonds (distance) P-C4' energy: -12.960
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -9.967
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: 7, replica: 10
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -110.668098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.668098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.668098 (E_RNA)
where:
Base-Base interactions energy: -49.465
where: short stacking energy: -41.489
Base-Backbone interact. energy: -0.160
local terms energy: -61.043098
where:
bonds (distance) C4'-P energy: -7.270
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -15.019
tors. eta vs tors. theta energy: -5.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -94.771242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.771242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.771242 (E_RNA)
where:
Base-Base interactions energy: -40.613
where: short stacking energy: -30.458
Base-Backbone interact. energy: -0.202
local terms energy: -53.956092
where:
bonds (distance) C4'-P energy: -12.888
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -15.440
flat angles P-C4'-P energy: -4.306
tors. eta vs tors. theta energy: -4.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -94.421150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.421150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.421150 (E_RNA)
where:
Base-Base interactions energy: -48.594
where: short stacking energy: -21.501
Base-Backbone interact. energy: -0.164
local terms energy: -45.662422
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -12.411
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -5.674
tors. eta vs tors. theta energy: -1.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -86.354739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.354739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.354739 (E_RNA)
where:
Base-Base interactions energy: -38.050
where: short stacking energy: -21.055
Base-Backbone interact. energy: 0.045
local terms energy: -48.349951
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -15.359
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -6.492
tors. eta vs tors. theta energy: -3.238
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: 6
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -261.585223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.585223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.585223 (E_RNA)
where:
Base-Base interactions energy: -173.810
where: short stacking energy: -77.021
Base-Backbone interact. energy: -1.111
local terms energy: -86.663775
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -17.718
flat angles C4'-P-C4' energy: -20.612
flat angles P-C4'-P energy: -12.360
tors. eta vs tors. theta energy: -22.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -231.346174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.346174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.346174 (E_RNA)
where:
Base-Base interactions energy: -157.375
where: short stacking energy: -61.636
Base-Backbone interact. energy: -0.815
local terms energy: -73.156959
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -17.311
flat angles C4'-P-C4' energy: -18.660
flat angles P-C4'-P energy: -6.582
tors. eta vs tors. theta energy: -16.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -223.436448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.436448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.436448 (E_RNA)
where:
Base-Base interactions energy: -154.524
where: short stacking energy: -64.763
Base-Backbone interact. energy: 1.322
local terms energy: -70.234884
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -17.173
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: -15.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -189.395330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.395330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.395330 (E_RNA)
where:
Base-Base interactions energy: -112.321
where: short stacking energy: -53.171
Base-Backbone interact. energy: -0.270
local terms energy: -76.804336
where:
bonds (distance) C4'-P energy: -17.067
bonds (distance) P-C4' energy: -19.109
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -15.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -105.483651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.483651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.483651 (E_RNA)
where:
Base-Base interactions energy: -39.682
where: short stacking energy: -15.720
Base-Backbone interact. energy: -1.664
local terms energy: -64.137558
where:
bonds (distance) C4'-P energy: -17.688
bonds (distance) P-C4' energy: -20.441
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -12.050
tors. eta vs tors. theta energy: 1.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -100.652400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.652400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.652400 (E_RNA)
where:
Base-Base interactions energy: -39.474
where: short stacking energy: -35.210
Base-Backbone interact. energy: -0.063
local terms energy: -61.114726
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -11.108
flat angles C4'-P-C4' energy: -20.290
flat angles P-C4'-P energy: -6.808
tors. eta vs tors. theta energy: -7.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -106.031513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.031513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.031513 (E_RNA)
where:
Base-Base interactions energy: -52.037
where: short stacking energy: -27.006
Base-Backbone interact. energy: -0.475
local terms energy: -53.519639
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -17.395
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -6.901
tors. eta vs tors. theta energy: -1.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -120.051934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.051934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.051934 (E_RNA)
where:
Base-Base interactions energy: -50.705
where: short stacking energy: -44.901
Base-Backbone interact. energy: 0.037
local terms energy: -69.384241
where:
bonds (distance) C4'-P energy: -11.922
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -18.001
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -12.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -101.085920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.085920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.085920 (E_RNA)
where:
Base-Base interactions energy: -49.830
where: short stacking energy: -21.096
Base-Backbone interact. energy: -0.270
local terms energy: -50.985993
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -11.755
flat angles P-C4'-P energy: -9.788
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: 10, replica: 4
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -84.144361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.144361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.144361 (E_RNA)
where:
Base-Base interactions energy: -28.463
where: short stacking energy: -27.570
Base-Backbone interact. energy: -0.096
local terms energy: -55.585620
where:
bonds (distance) C4'-P energy: -17.658
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -10.373
flat angles P-C4'-P energy: -7.899
tors. eta vs tors. theta energy: -7.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -234.119359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.119359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.119359 (E_RNA)
where:
Base-Base interactions energy: -156.595
where: short stacking energy: -69.698
Base-Backbone interact. energy: -0.260
local terms energy: -77.264358
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -17.100
flat angles C4'-P-C4' energy: -17.439
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -17.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -255.254844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.254844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.254844 (E_RNA)
where:
Base-Base interactions energy: -159.312
where: short stacking energy: -78.615
Base-Backbone interact. energy: -0.004
local terms energy: -95.938252
where:
bonds (distance) C4'-P energy: -18.152
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -19.278
flat angles P-C4'-P energy: -14.874
tors. eta vs tors. theta energy: -25.389
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: 3
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -206.610445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.610445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.610445 (E_RNA)
where:
Base-Base interactions energy: -124.238
where: short stacking energy: -57.670
Base-Backbone interact. energy: -0.631
local terms energy: -81.742105
where:
bonds (distance) C4'-P energy: -16.747
bonds (distance) P-C4' energy: -17.030
flat angles C4'-P-C4' energy: -16.561
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -18.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -212.883574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.883574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.883574 (E_RNA)
where:
Base-Base interactions energy: -137.317
where: short stacking energy: -57.448
Base-Backbone interact. energy: -1.776
local terms energy: -73.790253
where:
bonds (distance) C4'-P energy: -16.364
bonds (distance) P-C4' energy: -19.429
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -14.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -111.492683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.492683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.492683 (E_RNA)
where:
Base-Base interactions energy: -53.778
where: short stacking energy: -33.234
Base-Backbone interact. energy: -0.436
local terms energy: -57.278981
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -12.579
tors. eta vs tors. theta energy: 0.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -121.045178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.045178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.045178 (E_RNA)
where:
Base-Base interactions energy: -47.846
where: short stacking energy: -47.846
Base-Backbone interact. energy: -0.325
local terms energy: -72.874426
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -19.075
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -14.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -101.453915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.453915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.453915 (E_RNA)
where:
Base-Base interactions energy: -54.491
where: short stacking energy: -41.630
Base-Backbone interact. energy: -0.060
local terms energy: -46.903566
where:
bonds (distance) C4'-P energy: -9.035
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -4.515
tors. eta vs tors. theta energy: -4.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -92.447953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.447953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.447953 (E_RNA)
where:
Base-Base interactions energy: -39.358
where: short stacking energy: -25.089
Base-Backbone interact. energy: -0.177
local terms energy: -52.913454
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -14.527
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -6.113
tors. eta vs tors. theta energy: -7.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -98.256260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.256260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.256260 (E_RNA)
where:
Base-Base interactions energy: -43.509
where: short stacking energy: -30.620
Base-Backbone interact. energy: -0.239
local terms energy: -54.507631
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -8.889
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -0.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -90.793544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.793544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.793544 (E_RNA)
where:
Base-Base interactions energy: -31.766
where: short stacking energy: -29.971
Base-Backbone interact. energy: -0.171
local terms energy: -58.855718
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -15.959
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -8.092
tors. eta vs tors. theta energy: -6.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -237.946828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.946828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.946828 (E_RNA)
where:
Base-Base interactions energy: -158.933
where: short stacking energy: -69.281
Base-Backbone interact. energy: -0.189
local terms energy: -78.825090
where:
bonds (distance) C4'-P energy: -16.157
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -20.524
flat angles P-C4'-P energy: -7.359
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: 2, replica: 6
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -246.048689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.048689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.048689 (E_RNA)
where:
Base-Base interactions energy: -155.793
where: short stacking energy: -80.162
Base-Backbone interact. energy: 0.318
local terms energy: -90.573329
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -19.009
flat angles P-C4'-P energy: -15.471
tors. eta vs tors. theta energy: -23.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -186.493607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.493607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.493607 (E_RNA)
where:
Base-Base interactions energy: -104.585
where: short stacking energy: -45.980
Base-Backbone interact. energy: 0.494
local terms energy: -82.403091
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -18.397
flat angles C4'-P-C4' energy: -19.479
flat angles P-C4'-P energy: -15.879
tors. eta vs tors. theta energy: -15.103
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: 2
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -216.232589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.232589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.232589 (E_RNA)
where:
Base-Base interactions energy: -154.928
where: short stacking energy: -58.205
Base-Backbone interact. energy: -0.181
local terms energy: -61.123024
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -11.905
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -7.012
tors. eta vs tors. theta energy: -15.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -120.000661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.000661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.000661 (E_RNA)
where:
Base-Base interactions energy: -51.645
where: short stacking energy: -37.550
Base-Backbone interact. energy: -0.215
local terms energy: -68.140707
where:
bonds (distance) C4'-P energy: -17.084
bonds (distance) P-C4' energy: -19.718
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -6.771
tors. eta vs tors. theta energy: -12.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -108.415646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.415646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.415646 (E_RNA)
where:
Base-Base interactions energy: -42.783
where: short stacking energy: -35.049
Base-Backbone interact. energy: -2.435
local terms energy: -63.197276
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -18.971
flat angles C4'-P-C4' energy: -11.208
flat angles P-C4'-P energy: -13.197
tors. eta vs tors. theta energy: -6.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -100.039596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.039596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.039596 (E_RNA)
where:
Base-Base interactions energy: -43.954
where: short stacking energy: -29.577
Base-Backbone interact. energy: -0.194
local terms energy: -55.891950
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -10.419
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -5.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -110.198797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.198797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.198797 (E_RNA)
where:
Base-Base interactions energy: -43.285
where: short stacking energy: -34.707
Base-Backbone interact. energy: -0.070
local terms energy: -66.844368
where:
bonds (distance) C4'-P energy: -10.083
bonds (distance) P-C4' energy: -20.594
flat angles C4'-P-C4' energy: -17.593
flat angles P-C4'-P energy: -12.507
tors. eta vs tors. theta energy: -6.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -84.921293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.921293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.921293 (E_RNA)
where:
Base-Base interactions energy: -20.696
where: short stacking energy: -21.136
Base-Backbone interact. energy: -0.637
local terms energy: -63.588711
where:
bonds (distance) C4'-P energy: -17.091
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -17.559
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -1.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -78.646097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.646097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.646097 (E_RNA)
where:
Base-Base interactions energy: -23.371
where: short stacking energy: -23.355
Base-Backbone interact. energy: -0.347
local terms energy: -54.927989
where:
bonds (distance) C4'-P energy: -19.016
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -7.440
tors. eta vs tors. theta energy: -0.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -254.365832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.365832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.365832 (E_RNA)
where:
Base-Base interactions energy: -172.743
where: short stacking energy: -87.586
Base-Backbone interact. energy: -1.379
local terms energy: -80.244546
where:
bonds (distance) C4'-P energy: -13.905
bonds (distance) P-C4' energy: -15.376
flat angles C4'-P-C4' energy: -19.359
flat angles P-C4'-P energy: -7.659
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: 1
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -244.820842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.820842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.820842 (E_RNA)
where:
Base-Base interactions energy: -173.101
where: short stacking energy: -69.621
Base-Backbone interact. energy: 0.061
local terms energy: -71.780304
where:
bonds (distance) C4'-P energy: -11.517
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -19.020
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -15.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -214.534366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.534366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.534366 (E_RNA)
where:
Base-Base interactions energy: -134.831
where: short stacking energy: -54.764
Base-Backbone interact. energy: -0.694
local terms energy: -79.009505
where:
bonds (distance) C4'-P energy: -17.440
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -19.198
flat angles P-C4'-P energy: -7.513
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: 4, replica: 3
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -196.901427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.901427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.901427 (E_RNA)
where:
Base-Base interactions energy: -114.263
where: short stacking energy: -53.228
Base-Backbone interact. energy: -0.019
local terms energy: -82.619590
where:
bonds (distance) C4'-P energy: -20.081
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -19.581
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -15.546
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: 5
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -153.579088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.579088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.579088 (E_RNA)
where:
Base-Base interactions energy: -104.624
where: short stacking energy: -38.758
Base-Backbone interact. energy: -0.983
local terms energy: -47.971689
where:
bonds (distance) C4'-P energy: -9.317
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: -2.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -111.079714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.079714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.079714 (E_RNA)
where:
Base-Base interactions energy: -52.853
where: short stacking energy: -36.406
Base-Backbone interact. energy: -0.751
local terms energy: -57.475656
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -14.076
flat angles C4'-P-C4' energy: -12.028
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -5.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -88.358099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.358099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.358099 (E_RNA)
where:
Base-Base interactions energy: -34.290
where: short stacking energy: -25.353
Base-Backbone interact. energy: -0.299
local terms energy: -53.769389
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -17.908
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -10.331
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: 8, replica: 10
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -91.202870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.202870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.202870 (E_RNA)
where:
Base-Base interactions energy: -24.256
where: short stacking energy: -23.067
Base-Backbone interact. energy: 1.105
local terms energy: -68.051308
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -17.791
flat angles C4'-P-C4' energy: -18.024
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -9.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -94.121074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.121074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.121074 (E_RNA)
where:
Base-Base interactions energy: -35.235
where: short stacking energy: -34.875
Base-Backbone interact. energy: -0.081
local terms energy: -58.805135
where:
bonds (distance) C4'-P energy: -17.034
bonds (distance) P-C4' energy: -16.796
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -7.709
tors. eta vs tors. theta energy: -2.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -79.102298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.102298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.102298 (E_RNA)
where:
Base-Base interactions energy: -28.173
where: short stacking energy: -20.604
Base-Backbone interact. energy: -0.097
local terms energy: -50.831510
where:
bonds (distance) C4'-P energy: -13.794
bonds (distance) P-C4' energy: -17.098
flat angles C4'-P-C4' energy: -11.498
flat angles P-C4'-P energy: -1.439
tors. eta vs tors. theta energy: -7.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -258.880195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.880195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.880195 (E_RNA)
where:
Base-Base interactions energy: -165.506
where: short stacking energy: -81.435
Base-Backbone interact. energy: -0.003
local terms energy: -93.371140
where:
bonds (distance) C4'-P energy: -17.182
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -20.099
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -25.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -216.273834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.273834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.273834 (E_RNA)
where:
Base-Base interactions energy: -133.704
where: short stacking energy: -55.021
Base-Backbone interact. energy: -0.142
local terms energy: -82.427884
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -18.921
flat angles P-C4'-P energy: -13.724
tors. eta vs tors. theta energy: -16.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -207.449200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.449200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.449200 (E_RNA)
where:
Base-Base interactions energy: -132.855
where: short stacking energy: -58.916
Base-Backbone interact. energy: -0.339
local terms energy: -74.254893
where:
bonds (distance) C4'-P energy: -18.316
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -17.858
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -13.554
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: 3
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -189.469037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.469037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.469037 (E_RNA)
where:
Base-Base interactions energy: -114.588
where: short stacking energy: -60.526
Base-Backbone interact. energy: -0.479
local terms energy: -74.402362
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -11.404
tors. eta vs tors. theta energy: -19.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -155.504176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.504176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.504176 (E_RNA)
where:
Base-Base interactions energy: -93.913
where: short stacking energy: -31.426
Base-Backbone interact. energy: -1.000
local terms energy: -60.590601
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -14.878
flat angles C4'-P-C4' energy: -18.791
flat angles P-C4'-P energy: -9.775
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: 6, replica: 7
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -168.312990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.312990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.312990 (E_RNA)
where:
Base-Base interactions energy: -97.341
where: short stacking energy: -56.590
Base-Backbone interact. energy: -0.032
local terms energy: -70.940000
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -20.609
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -4.036
tors. eta vs tors. theta energy: -16.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -101.631047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.631047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.631047 (E_RNA)
where:
Base-Base interactions energy: -40.126
where: short stacking energy: -39.094
Base-Backbone interact. energy: -0.171
local terms energy: -61.333742
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: -5.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -90.184208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.184208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.184208 (E_RNA)
where:
Base-Base interactions energy: -34.901
where: short stacking energy: -34.194
Base-Backbone interact. energy: -0.104
local terms energy: -55.179138
where:
bonds (distance) C4'-P energy: -18.504
bonds (distance) P-C4' energy: -12.798
flat angles C4'-P-C4' energy: -8.838
flat angles P-C4'-P energy: -8.796
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: 10
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -79.252437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.252437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.252437 (E_RNA)
where:
Base-Base interactions energy: -25.410
where: short stacking energy: -16.962
Base-Backbone interact. energy: -0.798
local terms energy: -53.044089
where:
bonds (distance) C4'-P energy: -12.777
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -12.334
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -2.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -89.348101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.348101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.348101 (E_RNA)
where:
Base-Base interactions energy: -30.135
where: short stacking energy: -30.135
Base-Backbone interact. energy: 0.010
local terms energy: -59.223308
where:
bonds (distance) C4'-P energy: -16.536
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -15.184
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -1.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -261.085537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.085537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.085537 (E_RNA)
where:
Base-Base interactions energy: -167.129
where: short stacking energy: -84.974
Base-Backbone interact. energy: -0.962
local terms energy: -92.994017
where:
bonds (distance) C4'-P energy: -19.766
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -17.790
flat angles P-C4'-P energy: -13.092
tors. eta vs tors. theta energy: -27.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -229.225575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.225575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.225575 (E_RNA)
where:
Base-Base interactions energy: -151.528
where: short stacking energy: -64.882
Base-Backbone interact. energy: -0.651
local terms energy: -77.047195
where:
bonds (distance) C4'-P energy: -17.373
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -18.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -234.729679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.729679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.729679 (E_RNA)
where:
Base-Base interactions energy: -153.367
where: short stacking energy: -70.801
Base-Backbone interact. energy: -0.205
local terms energy: -81.157510
where:
bonds (distance) C4'-P energy: -17.078
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -19.270
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -19.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -210.965989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.965989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.965989 (E_RNA)
where:
Base-Base interactions energy: -137.359
where: short stacking energy: -59.445
Base-Backbone interact. energy: -1.123
local terms energy: -72.483370
where:
bonds (distance) C4'-P energy: -14.766
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -13.690
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: 5, replica: 7
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -193.133136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.133136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.133136 (E_RNA)
where:
Base-Base interactions energy: -121.008
where: short stacking energy: -57.694
Base-Backbone interact. energy: -0.154
local terms energy: -71.971883
where:
bonds (distance) C4'-P energy: -17.618
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -9.905
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -18.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -108.637916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.637916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.637916 (E_RNA)
where:
Base-Base interactions energy: -49.061
where: short stacking energy: -41.843
Base-Backbone interact. energy: -0.219
local terms energy: -59.358095
where:
bonds (distance) C4'-P energy: -13.869
bonds (distance) P-C4' energy: -16.046
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -4.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -120.395925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.395925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.395925 (E_RNA)
where:
Base-Base interactions energy: -56.706
where: short stacking energy: -34.750
Base-Backbone interact. energy: -0.153
local terms energy: -63.536734
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -16.560
flat angles P-C4'-P energy: -11.398
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: 4
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -100.626918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.626918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.626918 (E_RNA)
where:
Base-Base interactions energy: -39.323
where: short stacking energy: -36.528
Base-Backbone interact. energy: -0.170
local terms energy: -61.133981
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -18.351
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -4.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -84.254700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.254700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.254700 (E_RNA)
where:
Base-Base interactions energy: -34.658
where: short stacking energy: -24.878
Base-Backbone interact. energy: -0.109
local terms energy: -49.487731
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -13.499
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: 0.998
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: 24
Temperature: 1.350000
Total energy: -75.841725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.841725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.841725 (E_RNA)
where:
Base-Base interactions energy: -30.956
where: short stacking energy: -24.872
Base-Backbone interact. energy: -0.153
local terms energy: -44.732982
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -19.048
flat angles C4'-P-C4' energy: -12.641
flat angles P-C4'-P energy: -4.385
tors. eta vs tors. theta energy: 2.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -261.263717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.263717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.263717 (E_RNA)
where:
Base-Base interactions energy: -169.062
where: short stacking energy: -84.349
Base-Backbone interact. energy: -0.459
local terms energy: -91.742171
where:
bonds (distance) C4'-P energy: -13.674
bonds (distance) P-C4' energy: -18.513
flat angles C4'-P-C4' energy: -21.580
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -27.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -243.818361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.818361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.818361 (E_RNA)
where:
Base-Base interactions energy: -159.709
where: short stacking energy: -78.503
Base-Backbone interact. energy: -0.084
local terms energy: -84.025229
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -17.238
flat angles P-C4'-P energy: -13.173
tors. eta vs tors. theta energy: -20.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -213.432553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.432553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.432553 (E_RNA)
where:
Base-Base interactions energy: -139.985
where: short stacking energy: -60.151
Base-Backbone interact. energy: -0.131
local terms energy: -73.316458
where:
bonds (distance) C4'-P energy: -14.531
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -15.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -211.314101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.314101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.314101 (E_RNA)
where:
Base-Base interactions energy: -129.039
where: short stacking energy: -54.735
Base-Backbone interact. energy: -0.532
local terms energy: -81.743405
where:
bonds (distance) C4'-P energy: -17.627
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -18.427
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -16.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -195.197102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.197102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.197102 (E_RNA)
where:
Base-Base interactions energy: -107.662
where: short stacking energy: -54.167
Base-Backbone interact. energy: -0.419
local terms energy: -87.116404
where:
bonds (distance) C4'-P energy: -18.550
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -20.880
flat angles P-C4'-P energy: -10.364
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: 25
Temperature: 1.150000
Total energy: -110.732337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.732337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.732337 (E_RNA)
where:
Base-Base interactions energy: -45.812
where: short stacking energy: -31.301
Base-Backbone interact. energy: -0.386
local terms energy: -64.534120
where:
bonds (distance) C4'-P energy: -17.849
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -10.349
tors. eta vs tors. theta energy: -5.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -103.578545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.578545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.578545 (E_RNA)
where:
Base-Base interactions energy: -37.217
where: short stacking energy: -36.679
Base-Backbone interact. energy: -0.068
local terms energy: -66.293198
where:
bonds (distance) C4'-P energy: -16.556
bonds (distance) P-C4' energy: -18.734
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -5.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -83.185491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.185491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.185491 (E_RNA)
where:
Base-Base interactions energy: -28.809
where: short stacking energy: -25.950
Base-Backbone interact. energy: -0.131
local terms energy: -54.246096
where:
bonds (distance) C4'-P energy: -9.656
bonds (distance) P-C4' energy: -20.108
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: -1.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -81.517074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.517074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.517074 (E_RNA)
where:
Base-Base interactions energy: -19.990
where: short stacking energy: -19.125
Base-Backbone interact. energy: -1.297
local terms energy: -60.229791
where:
bonds (distance) C4'-P energy: -18.192
bonds (distance) P-C4' energy: -19.877
flat angles C4'-P-C4' energy: -12.802
flat angles P-C4'-P energy: -6.120
tors. eta vs tors. theta energy: -3.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -90.081165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.081165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.081165 (E_RNA)
where:
Base-Base interactions energy: -37.399
where: short stacking energy: -34.925
Base-Backbone interact. energy: -1.725
local terms energy: -50.957027
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -0.793
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: 26
Temperature: 0.900000
Total energy: -243.018534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.018534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.018534 (E_RNA)
where:
Base-Base interactions energy: -162.872
where: short stacking energy: -79.064
Base-Backbone interact. energy: -0.548
local terms energy: -79.598360
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -16.214
flat angles C4'-P-C4' energy: -18.904
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -18.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -259.344628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.344628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.344628 (E_RNA)
where:
Base-Base interactions energy: -172.636
where: short stacking energy: -79.084
Base-Backbone interact. energy: -0.047
local terms energy: -86.661662
where:
bonds (distance) C4'-P energy: -19.991
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -14.768
flat angles P-C4'-P energy: -13.845
tors. eta vs tors. theta energy: -20.657
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: 3, replica: 3
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -217.133215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.133215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.133215 (E_RNA)
where:
Base-Base interactions energy: -135.050
where: short stacking energy: -66.243
Base-Backbone interact. energy: -0.185
local terms energy: -81.898475
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -19.776
flat angles C4'-P-C4' energy: -17.432
flat angles P-C4'-P energy: -9.824
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: 4, replica: 2
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -197.074382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.074382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.074382 (E_RNA)
where:
Base-Base interactions energy: -129.871
where: short stacking energy: -55.272
Base-Backbone interact. energy: -0.107
local terms energy: -67.096153
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -12.902
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -12.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -192.446444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.446444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.446444 (E_RNA)
where:
Base-Base interactions energy: -118.354
where: short stacking energy: -57.410
Base-Backbone interact. energy: -0.884
local terms energy: -73.208077
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -4.856
tors. eta vs tors. theta energy: -17.736
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: 9
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -109.930112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.930112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.930112 (E_RNA)
where:
Base-Base interactions energy: -47.718
where: short stacking energy: -47.718
Base-Backbone interact. energy: -0.243
local terms energy: -61.968960
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -13.422
flat angles P-C4'-P energy: -13.146
tors. eta vs tors. theta energy: -5.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -94.471966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.471966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.471966 (E_RNA)
where:
Base-Base interactions energy: -36.929
where: short stacking energy: -16.276
Base-Backbone interact. energy: -0.794
local terms energy: -56.749637
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -16.599
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: 0.524
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: 5
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -89.627585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.627585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.627585 (E_RNA)
where:
Base-Base interactions energy: -29.050
where: short stacking energy: -29.050
Base-Backbone interact. energy: -0.115
local terms energy: -60.461984
where:
bonds (distance) C4'-P energy: -18.040
bonds (distance) P-C4' energy: -12.962
flat angles C4'-P-C4' energy: -9.383
flat angles P-C4'-P energy: -14.993
tors. eta vs tors. theta energy: -5.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -81.225846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.225846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.225846 (E_RNA)
where:
Base-Base interactions energy: -31.141
where: short stacking energy: -30.517
Base-Backbone interact. energy: -0.109
local terms energy: -49.975717
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -10.472
flat angles C4'-P-C4' energy: -11.976
flat angles P-C4'-P energy: -8.783
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: 10, replica: 4
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -76.520388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.520388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.520388 (E_RNA)
where:
Base-Base interactions energy: -27.021
where: short stacking energy: -25.717
Base-Backbone interact. energy: -0.346
local terms energy: -49.153543
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -10.069
flat angles C4'-P-C4' energy: -10.114
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -5.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -243.862226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.862226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.862226 (E_RNA)
where:
Base-Base interactions energy: -164.316
where: short stacking energy: -79.216
Base-Backbone interact. energy: -0.039
local terms energy: -79.506789
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -17.205
flat angles C4'-P-C4' energy: -19.126
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -17.179
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: 27
Temperature: 0.950000
Total energy: -247.982050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.982050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.982050 (E_RNA)
where:
Base-Base interactions energy: -164.726
where: short stacking energy: -69.679
Base-Backbone interact. energy: -1.371
local terms energy: -81.884190
where:
bonds (distance) C4'-P energy: -14.996
bonds (distance) P-C4' energy: -18.241
flat angles C4'-P-C4' energy: -18.858
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -19.714
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: 3
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -217.338924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.338924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.338924 (E_RNA)
where:
Base-Base interactions energy: -143.797
where: short stacking energy: -53.653
Base-Backbone interact. energy: 1.206
local terms energy: -74.748173
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -20.137
flat angles C4'-P-C4' energy: -17.282
flat angles P-C4'-P energy: -7.649
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: 4, replica: 7
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -198.798540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.798540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.798540 (E_RNA)
where:
Base-Base interactions energy: -114.817
where: short stacking energy: -65.821
Base-Backbone interact. energy: -0.075
local terms energy: -83.906657
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -17.282
flat angles C4'-P-C4' energy: -17.137
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: -23.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -182.200792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.200792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.200792 (E_RNA)
where:
Base-Base interactions energy: -114.635
where: short stacking energy: -46.389
Base-Backbone interact. energy: -0.049
local terms energy: -67.517289
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -17.397
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: -12.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -101.601415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.601415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.601415 (E_RNA)
where:
Base-Base interactions energy: -43.206
where: short stacking energy: -39.889
Base-Backbone interact. energy: 0.070
local terms energy: -58.465710
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -16.846
flat angles P-C4'-P energy: -7.570
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: 7, replica: 8
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -96.433829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.433829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.433829 (E_RNA)
where:
Base-Base interactions energy: -36.843
where: short stacking energy: -24.494
Base-Backbone interact. energy: -0.367
local terms energy: -59.224138
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -9.838
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -5.441
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: 8, replica: 10
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -103.014060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.014060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.014060 (E_RNA)
where:
Base-Base interactions energy: -42.227
where: short stacking energy: -42.227
Base-Backbone interact. energy: -0.125
local terms energy: -60.662019
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -12.431
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -9.560
tors. eta vs tors. theta energy: -10.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -85.293046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.293046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.293046 (E_RNA)
where:
Base-Base interactions energy: -26.910
where: short stacking energy: -25.833
Base-Backbone interact. energy: -0.341
local terms energy: -58.042534
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -18.617
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: 1.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -86.655635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.655635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.655635 (E_RNA)
where:
Base-Base interactions energy: -29.862
where: short stacking energy: -25.411
Base-Backbone interact. energy: -0.176
local terms energy: -56.616999
where:
bonds (distance) C4'-P energy: -18.152
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -7.584
tors. eta vs tors. theta energy: -0.818
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: 1, replica: 6
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -250.114937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.114937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.114937 (E_RNA)
where:
Base-Base interactions energy: -161.307
where: short stacking energy: -70.501
Base-Backbone interact. energy: -0.461
local terms energy: -88.346699
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -15.594
flat angles C4'-P-C4' energy: -19.997
flat angles P-C4'-P energy: -14.992
tors. eta vs tors. theta energy: -21.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -236.989431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.989431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.989431 (E_RNA)
where:
Base-Base interactions energy: -154.768
where: short stacking energy: -67.160
Base-Backbone interact. energy: -0.032
local terms energy: -82.189348
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -13.203
tors. eta vs tors. theta energy: -19.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -200.493377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.493377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.493377 (E_RNA)
where:
Base-Base interactions energy: -120.167
where: short stacking energy: -61.274
Base-Backbone interact. energy: -0.041
local terms energy: -80.285146
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -17.760
flat angles P-C4'-P energy: -9.494
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: 3
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -207.251999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.251999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.251999 (E_RNA)
where:
Base-Base interactions energy: -134.250
where: short stacking energy: -53.920
Base-Backbone interact. energy: -0.924
local terms energy: -72.078376
where:
bonds (distance) C4'-P energy: -14.109
bonds (distance) P-C4' energy: -17.121
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: -16.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -204.279635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.279635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.279635 (E_RNA)
where:
Base-Base interactions energy: -124.462
where: short stacking energy: -71.972
Base-Backbone interact. energy: -0.249
local terms energy: -79.569235
where:
bonds (distance) C4'-P energy: -17.608
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -18.887
flat angles P-C4'-P energy: -7.376
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: 28
Temperature: 1.150000
Total energy: -91.723032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.723032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.723032 (E_RNA)
where:
Base-Base interactions energy: -32.898
where: short stacking energy: -31.767
Base-Backbone interact. energy: -0.637
local terms energy: -58.187720
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -9.587
tors. eta vs tors. theta energy: -3.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -94.576280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.576280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.576280 (E_RNA)
where:
Base-Base interactions energy: -34.221
where: short stacking energy: -33.877
Base-Backbone interact. energy: 0.577
local terms energy: -60.932182
where:
bonds (distance) C4'-P energy: -16.983
bonds (distance) P-C4' energy: -17.631
flat angles C4'-P-C4' energy: -18.602
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: 1.416
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: 8
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -82.664174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.664174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.664174 (E_RNA)
where:
Base-Base interactions energy: -32.951
where: short stacking energy: -19.077
Base-Backbone interact. energy: -0.909
local terms energy: -48.804657
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -12.894
flat angles P-C4'-P energy: -5.605
tors. eta vs tors. theta energy: 1.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -86.669038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.669038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.669038 (E_RNA)
where:
Base-Base interactions energy: -39.086
where: short stacking energy: -21.356
Base-Backbone interact. energy: -0.125
local terms energy: -47.458142
where:
bonds (distance) C4'-P energy: -10.741
bonds (distance) P-C4' energy: -14.883
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -6.544
tors. eta vs tors. theta energy: 0.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -86.462175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.462175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.462175 (E_RNA)
where:
Base-Base interactions energy: -30.246
where: short stacking energy: -16.806
Base-Backbone interact. energy: -2.390
local terms energy: -53.826233
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -11.320
flat angles P-C4'-P energy: -7.067
tors. eta vs tors. theta energy: -5.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -259.674273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.674273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.674273 (E_RNA)
where:
Base-Base interactions energy: -170.901
where: short stacking energy: -79.914
Base-Backbone interact. energy: -0.255
local terms energy: -88.518885
where:
bonds (distance) C4'-P energy: -18.280
bonds (distance) P-C4' energy: -17.906
flat angles C4'-P-C4' energy: -17.669
flat angles P-C4'-P energy: -10.990
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: 7
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -213.231188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.231188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.231188 (E_RNA)
where:
Base-Base interactions energy: -139.605
where: short stacking energy: -55.127
Base-Backbone interact. energy: -0.335
local terms energy: -73.291174
where:
bonds (distance) C4'-P energy: -16.855
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -11.215
tors. eta vs tors. theta energy: -16.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -229.214973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.214973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.214973 (E_RNA)
where:
Base-Base interactions energy: -146.672
where: short stacking energy: -69.326
Base-Backbone interact. energy: -0.222
local terms energy: -82.320878
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -19.260
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -21.302
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: 3
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -216.037442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.037442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.037442 (E_RNA)
where:
Base-Base interactions energy: -134.622
where: short stacking energy: -57.637
Base-Backbone interact. energy: -0.916
local terms energy: -80.499311
where:
bonds (distance) C4'-P energy: -10.597
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -18.450
flat angles P-C4'-P energy: -13.182
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: 5, replica: 2
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -189.982007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.982007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.982007 (E_RNA)
where:
Base-Base interactions energy: -118.034
where: short stacking energy: -64.388
Base-Backbone interact. energy: -0.035
local terms energy: -71.913464
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -15.984
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -17.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -105.066262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.066262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.066262 (E_RNA)
where:
Base-Base interactions energy: -39.524
where: short stacking energy: -32.264
Base-Backbone interact. energy: -0.164
local terms energy: -65.378179
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -20.265
flat angles C4'-P-C4' energy: -8.039
flat angles P-C4'-P energy: -13.415
tors. eta vs tors. theta energy: -7.131
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: 7, replica: 9
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -102.929028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.929028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.929028 (E_RNA)
where:
Base-Base interactions energy: -41.542
where: short stacking energy: -37.000
Base-Backbone interact. energy: -0.154
local terms energy: -61.233090
where:
bonds (distance) C4'-P energy: -13.496
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -5.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -90.649746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.649746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.649746 (E_RNA)
where:
Base-Base interactions energy: -38.310
where: short stacking energy: -30.326
Base-Backbone interact. energy: -0.624
local terms energy: -51.716482
where:
bonds (distance) C4'-P energy: -17.038
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -12.025
flat angles P-C4'-P energy: -4.309
tors. eta vs tors. theta energy: -2.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -80.791732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.791732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.791732 (E_RNA)
where:
Base-Base interactions energy: -23.754
where: short stacking energy: -23.754
Base-Backbone interact. energy: -0.152
local terms energy: -56.885266
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -12.447
flat angles P-C4'-P energy: -10.640
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: 5
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -85.934809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.934809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.934809 (E_RNA)
where:
Base-Base interactions energy: -24.646
where: short stacking energy: -20.715
Base-Backbone interact. energy: -0.156
local terms energy: -61.133179
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -16.715
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -3.443
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: 6
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -253.314489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.314489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.314489 (E_RNA)
where:
Base-Base interactions energy: -165.746
where: short stacking energy: -77.575
Base-Backbone interact. energy: -0.763
local terms energy: -86.805712
where:
bonds (distance) C4'-P energy: -15.983
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -19.678
flat angles P-C4'-P energy: -15.857
tors. eta vs tors. theta energy: -20.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -227.311154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.311154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.311154 (E_RNA)
where:
Base-Base interactions energy: -146.161
where: short stacking energy: -60.159
Base-Backbone interact. energy: -0.780
local terms energy: -80.370655
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -18.927
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: -18.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -229.080078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.080078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.080078 (E_RNA)
where:
Base-Base interactions energy: -157.897
where: short stacking energy: -72.396
Base-Backbone interact. energy: -0.162
local terms energy: -71.021484
where:
bonds (distance) C4'-P energy: -16.004
bonds (distance) P-C4' energy: -9.733
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -12.004
tors. eta vs tors. theta energy: -17.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -186.137332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.137332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.137332 (E_RNA)
where:
Base-Base interactions energy: -112.367
where: short stacking energy: -50.065
Base-Backbone interact. energy: -0.375
local terms energy: -73.395186
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -16.770
flat angles C4'-P-C4' energy: -17.406
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: -14.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -185.989439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.989439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.989439 (E_RNA)
where:
Base-Base interactions energy: -114.483
where: short stacking energy: -56.031
Base-Backbone interact. energy: 0.505
local terms energy: -72.011242
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: -16.712
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: 10
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -111.929061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.929061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.929061 (E_RNA)
where:
Base-Base interactions energy: -41.787
where: short stacking energy: -39.965
Base-Backbone interact. energy: -0.671
local terms energy: -69.471546
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -17.813
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -8.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -95.862491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.862491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.862491 (E_RNA)
where:
Base-Base interactions energy: -32.813
where: short stacking energy: -30.551
Base-Backbone interact. energy: -0.607
local terms energy: -62.442816
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -18.562
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -5.527
tors. eta vs tors. theta energy: -5.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -91.542571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.542571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.542571 (E_RNA)
where:
Base-Base interactions energy: -36.989
where: short stacking energy: -27.676
Base-Backbone interact. energy: -0.345
local terms energy: -54.209324
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -17.123
flat angles C4'-P-C4' energy: -10.686
flat angles P-C4'-P energy: -8.795
tors. eta vs tors. theta energy: -4.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -85.266924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.266924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.266924 (E_RNA)
where:
Base-Base interactions energy: -27.010
where: short stacking energy: -25.774
Base-Backbone interact. energy: -0.185
local terms energy: -58.071262
where:
bonds (distance) C4'-P energy: -16.502
bonds (distance) P-C4' energy: -16.444
flat angles C4'-P-C4' energy: -12.333
flat angles P-C4'-P energy: -10.198
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: 5
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -80.680169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.680169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.680169 (E_RNA)
where:
Base-Base interactions energy: -26.122
where: short stacking energy: -19.246
Base-Backbone interact. energy: -0.248
local terms energy: -54.310227
where:
bonds (distance) C4'-P energy: -10.112
bonds (distance) P-C4' energy: -11.844
flat angles C4'-P-C4' energy: -17.842
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -2.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -262.980603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.980603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.980603 (E_RNA)
where:
Base-Base interactions energy: -170.248
where: short stacking energy: -86.794
Base-Backbone interact. energy: -0.005
local terms energy: -92.728381
where:
bonds (distance) C4'-P energy: -18.623
bonds (distance) P-C4' energy: -18.886
flat angles C4'-P-C4' energy: -18.477
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -27.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -228.757750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.757750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.757750 (E_RNA)
where:
Base-Base interactions energy: -150.518
where: short stacking energy: -64.633
Base-Backbone interact. energy: -0.391
local terms energy: -77.848556
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -17.231
flat angles C4'-P-C4' energy: -18.298
flat angles P-C4'-P energy: -13.145
tors. eta vs tors. theta energy: -14.040
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: 7
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -217.888242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.888242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.888242 (E_RNA)
where:
Base-Base interactions energy: -141.458
where: short stacking energy: -63.908
Base-Backbone interact. energy: -0.521
local terms energy: -75.909052
where:
bonds (distance) C4'-P energy: -15.938
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -20.049
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -14.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -154.684452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.684452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.684452 (E_RNA)
where:
Base-Base interactions energy: -88.592
where: short stacking energy: -51.382
Base-Backbone interact. energy: 0.185
local terms energy: -66.277166
where:
bonds (distance) C4'-P energy: -18.635
bonds (distance) P-C4' energy: -18.232
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -2.552
tors. eta vs tors. theta energy: -11.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -188.526569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.526569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.526569 (E_RNA)
where:
Base-Base interactions energy: -116.993
where: short stacking energy: -62.155
Base-Backbone interact. energy: -0.014
local terms energy: -71.520478
where:
bonds (distance) C4'-P energy: -13.973
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -7.138
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: 6, replica: 10
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -119.213145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.213145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.213145 (E_RNA)
where:
Base-Base interactions energy: -50.722
where: short stacking energy: -47.376
Base-Backbone interact. energy: -0.035
local terms energy: -68.456286
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -12.038
tors. eta vs tors. theta energy: -10.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -111.965319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.965319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.965319 (E_RNA)
where:
Base-Base interactions energy: -46.214
where: short stacking energy: -39.165
Base-Backbone interact. energy: -0.073
local terms energy: -65.677990
where:
bonds (distance) C4'-P energy: -17.155
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -5.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -97.322376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.322376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.322376 (E_RNA)
where:
Base-Base interactions energy: -41.701
where: short stacking energy: -41.701
Base-Backbone interact. energy: -0.142
local terms energy: -55.479413
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -6.431
tors. eta vs tors. theta energy: -7.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -80.436618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.436618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.436618 (E_RNA)
where:
Base-Base interactions energy: -27.207
where: short stacking energy: -26.272
Base-Backbone interact. energy: -0.371
local terms energy: -52.858720
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -5.459
tors. eta vs tors. theta energy: -4.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -76.262823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.262823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.262823 (E_RNA)
where:
Base-Base interactions energy: -27.634
where: short stacking energy: -19.252
Base-Backbone interact. energy: 1.194
local terms energy: -49.823180
where:
bonds (distance) C4'-P energy: -11.472
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: 1.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -239.851045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.851045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.851045 (E_RNA)
where:
Base-Base interactions energy: -157.645
where: short stacking energy: -76.552
Base-Backbone interact. energy: -0.308
local terms energy: -81.898579
where:
bonds (distance) C4'-P energy: -16.116
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -13.637
tors. eta vs tors. theta energy: -20.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -257.264971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.264971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.264971 (E_RNA)
where:
Base-Base interactions energy: -172.094
where: short stacking energy: -87.807
Base-Backbone interact. energy: -0.447
local terms energy: -84.723883
where:
bonds (distance) C4'-P energy: -18.926
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -17.777
flat angles P-C4'-P energy: -9.975
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: 3, replica: 7
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -209.096556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.096556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.096556 (E_RNA)
where:
Base-Base interactions energy: -123.756
where: short stacking energy: -54.586
Base-Backbone interact. energy: -0.655
local terms energy: -84.686419
where:
bonds (distance) C4'-P energy: -17.468
bonds (distance) P-C4' energy: -18.653
flat angles C4'-P-C4' energy: -19.527
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -17.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -167.738912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.738912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.738912 (E_RNA)
where:
Base-Base interactions energy: -93.750
where: short stacking energy: -59.801
Base-Backbone interact. energy: -0.151
local terms energy: -73.837337
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -9.365
tors. eta vs tors. theta energy: -19.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -212.143493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.143493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.143493 (E_RNA)
where:
Base-Base interactions energy: -120.295
where: short stacking energy: -63.575
Base-Backbone interact. energy: -0.029
local terms energy: -91.819449
where:
bonds (distance) C4'-P energy: -17.292
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -18.911
flat angles P-C4'-P energy: -13.287
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: 6, replica: 10
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -112.946834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.946834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.946834 (E_RNA)
where:
Base-Base interactions energy: -54.590
where: short stacking energy: -19.615
Base-Backbone interact. energy: -0.314
local terms energy: -58.042895
where:
bonds (distance) C4'-P energy: -15.016
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -19.644
flat angles P-C4'-P energy: -8.747
tors. eta vs tors. theta energy: 3.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -96.824359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.824359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.824359 (E_RNA)
where:
Base-Base interactions energy: -36.696
where: short stacking energy: -34.275
Base-Backbone interact. energy: -0.086
local terms energy: -60.042057
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -20.473
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -6.318
tors. eta vs tors. theta energy: -6.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -99.492327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.492327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.492327 (E_RNA)
where:
Base-Base interactions energy: -37.715
where: short stacking energy: -36.583
Base-Backbone interact. energy: -0.100
local terms energy: -61.676853
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: -7.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -87.256076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.256076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.256076 (E_RNA)
where:
Base-Base interactions energy: -32.775
where: short stacking energy: -30.681
Base-Backbone interact. energy: -0.386
local terms energy: -54.094327
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -12.000
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -9.935
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: 4
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -80.467901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.467901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.467901 (E_RNA)
where:
Base-Base interactions energy: -25.873
where: short stacking energy: -22.736
Base-Backbone interact. energy: -0.841
local terms energy: -53.753834
where:
bonds (distance) C4'-P energy: -15.797
bonds (distance) P-C4' energy: -17.257
flat angles C4'-P-C4' energy: -9.712
flat angles P-C4'-P energy: -12.190
tors. eta vs tors. theta energy: 1.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -250.475083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.475083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.475083 (E_RNA)
where:
Base-Base interactions energy: -162.107
where: short stacking energy: -76.206
Base-Backbone interact. energy: -0.141
local terms energy: -88.227579
where:
bonds (distance) C4'-P energy: -17.783
bonds (distance) P-C4' energy: -17.325
flat angles C4'-P-C4' energy: -17.466
flat angles P-C4'-P energy: -13.639
tors. eta vs tors. theta energy: -22.015
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: 33
Temperature: 0.950000
Total energy: -250.082815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.082815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.082815 (E_RNA)
where:
Base-Base interactions energy: -170.619
where: short stacking energy: -81.600
Base-Backbone interact. energy: -0.227
local terms energy: -79.237612
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -19.251
flat angles C4'-P-C4' energy: -17.156
flat angles P-C4'-P energy: -7.040
tors. eta vs tors. theta energy: -21.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -214.867236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.867236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.867236 (E_RNA)
where:
Base-Base interactions energy: -128.195
where: short stacking energy: -65.980
Base-Backbone interact. energy: -0.066
local terms energy: -86.606363
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -18.273
flat angles P-C4'-P energy: -13.364
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: 4, replica: 3
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -205.450463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.450463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.450463 (E_RNA)
where:
Base-Base interactions energy: -125.439
where: short stacking energy: -65.846
Base-Backbone interact. energy: -0.292
local terms energy: -79.719593
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -18.771
flat angles C4'-P-C4' energy: -18.135
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -17.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -191.520699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.520699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.520699 (E_RNA)
where:
Base-Base interactions energy: -119.743
where: short stacking energy: -55.174
Base-Backbone interact. energy: -0.677
local terms energy: -71.101003
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -12.680
flat angles P-C4'-P energy: -12.435
tors. eta vs tors. theta energy: -18.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -103.712452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.712452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.712452 (E_RNA)
where:
Base-Base interactions energy: -46.182
where: short stacking energy: -39.361
Base-Backbone interact. energy: -0.058
local terms energy: -57.472121
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -12.479
flat angles P-C4'-P energy: -5.409
tors. eta vs tors. theta energy: -4.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -96.715249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.715249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.715249 (E_RNA)
where:
Base-Base interactions energy: -35.353
where: short stacking energy: -28.496
Base-Backbone interact. energy: -0.083
local terms energy: -61.279823
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -18.288
flat angles C4'-P-C4' energy: -17.503
flat angles P-C4'-P energy: -10.239
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: 8, replica: 5
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -102.996614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.996614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.996614 (E_RNA)
where:
Base-Base interactions energy: -39.677
where: short stacking energy: -38.788
Base-Backbone interact. energy: -0.073
local terms energy: -63.246768
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -11.434
flat angles P-C4'-P energy: -11.301
tors. eta vs tors. theta energy: -9.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -83.580324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.580324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.580324 (E_RNA)
where:
Base-Base interactions energy: -26.195
where: short stacking energy: -26.195
Base-Backbone interact. energy: -0.263
local terms energy: -57.121639
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -15.886
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -5.420
tors. eta vs tors. theta energy: -2.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -86.589639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.589639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.589639 (E_RNA)
where:
Base-Base interactions energy: -24.683
where: short stacking energy: -24.677
Base-Backbone interact. energy: -0.377
local terms energy: -61.529823
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -10.705
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: 1, replica: 6
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -259.833689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.833689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.833689 (E_RNA)
where:
Base-Base interactions energy: -166.572
where: short stacking energy: -73.754
Base-Backbone interact. energy: -0.236
local terms energy: -93.025759
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -18.036
flat angles C4'-P-C4' energy: -19.578
flat angles P-C4'-P energy: -14.243
tors. eta vs tors. theta energy: -25.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -235.050959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.050959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.050959 (E_RNA)
where:
Base-Base interactions energy: -149.274
where: short stacking energy: -65.011
Base-Backbone interact. energy: -0.275
local terms energy: -85.502135
where:
bonds (distance) C4'-P energy: -19.146
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: -19.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -215.274013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.274013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.274013 (E_RNA)
where:
Base-Base interactions energy: -133.343
where: short stacking energy: -65.538
Base-Backbone interact. energy: -0.102
local terms energy: -81.829069
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -18.259
flat angles C4'-P-C4' energy: -18.016
flat angles P-C4'-P energy: -8.015
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: 4, replica: 3
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -187.411648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.411648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.411648 (E_RNA)
where:
Base-Base interactions energy: -107.483
where: short stacking energy: -59.356
Base-Backbone interact. energy: -0.046
local terms energy: -79.882331
where:
bonds (distance) C4'-P energy: -17.838
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -12.591
tors. eta vs tors. theta energy: -16.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -195.195582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.195582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.195582 (E_RNA)
where:
Base-Base interactions energy: -122.437
where: short stacking energy: -61.634
Base-Backbone interact. energy: -0.206
local terms energy: -72.552398
where:
bonds (distance) C4'-P energy: -9.123
bonds (distance) P-C4' energy: -17.928
flat angles C4'-P-C4' energy: -17.380
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -17.158
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: 34
Temperature: 1.150000
Total energy: -110.328335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.328335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.328335 (E_RNA)
where:
Base-Base interactions energy: -52.840
where: short stacking energy: -27.258
Base-Backbone interact. energy: -0.484
local terms energy: -57.003856
where:
bonds (distance) C4'-P energy: -18.160
bonds (distance) P-C4' energy: -14.844
flat angles C4'-P-C4' energy: -10.940
flat angles P-C4'-P energy: -8.646
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: 7, replica: 5
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -93.178898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.178898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.178898 (E_RNA)
where:
Base-Base interactions energy: -42.657
where: short stacking energy: -25.311
Base-Backbone interact. energy: -0.341
local terms energy: -50.181067
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -15.465
flat angles C4'-P-C4' energy: -15.476
flat angles P-C4'-P energy: -7.281
tors. eta vs tors. theta energy: 2.566
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: 8, replica: 9
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -97.230856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.230856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.230856 (E_RNA)
where:
Base-Base interactions energy: -33.202
where: short stacking energy: -33.202
Base-Backbone interact. energy: -0.432
local terms energy: -63.596574
where:
bonds (distance) C4'-P energy: -17.659
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -4.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -87.278656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.278656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.278656 (E_RNA)
where:
Base-Base interactions energy: -41.952
where: short stacking energy: -31.787
Base-Backbone interact. energy: -0.186
local terms energy: -45.139972
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -4.353
flat angles C4'-P-C4' energy: -10.829
flat angles P-C4'-P energy: -10.698
tors. eta vs tors. theta energy: -4.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -90.972368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.972368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.972368 (E_RNA)
where:
Base-Base interactions energy: -50.616
where: short stacking energy: -27.588
Base-Backbone interact. energy: -0.661
local terms energy: -39.695785
where:
bonds (distance) C4'-P energy: -11.005
bonds (distance) P-C4' energy: -13.877
flat angles C4'-P-C4' energy: -12.201
flat angles P-C4'-P energy: -5.183
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: 6
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -256.959820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.959820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.959820 (E_RNA)
where:
Base-Base interactions energy: -169.882
where: short stacking energy: -83.986
Base-Backbone interact. energy: -0.004
local terms energy: -87.073791
where:
bonds (distance) C4'-P energy: -15.893
bonds (distance) P-C4' energy: -18.448
flat angles C4'-P-C4' energy: -17.641
flat angles P-C4'-P energy: -9.043
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: 1
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -234.087922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.087922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.087922 (E_RNA)
where:
Base-Base interactions energy: -151.550
where: short stacking energy: -65.272
Base-Backbone interact. energy: -0.283
local terms energy: -82.255729
where:
bonds (distance) C4'-P energy: -14.863
bonds (distance) P-C4' energy: -19.125
flat angles C4'-P-C4' energy: -18.780
flat angles P-C4'-P energy: -14.816
tors. eta vs tors. theta energy: -14.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -194.466504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.466504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.466504 (E_RNA)
where:
Base-Base interactions energy: -118.179
where: short stacking energy: -63.788
Base-Backbone interact. energy: 0.097
local terms energy: -76.384805
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -15.527
flat angles C4'-P-C4' energy: -16.775
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -17.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -200.634884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.634884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.634884 (E_RNA)
where:
Base-Base interactions energy: -124.415
where: short stacking energy: -58.263
Base-Backbone interact. energy: -0.234
local terms energy: -75.985486
where:
bonds (distance) C4'-P energy: -12.510
bonds (distance) P-C4' energy: -18.138
flat angles C4'-P-C4' energy: -18.968
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -17.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -205.381114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.381114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.381114 (E_RNA)
where:
Base-Base interactions energy: -131.362
where: short stacking energy: -59.695
Base-Backbone interact. energy: -0.023
local terms energy: -73.995262
where:
bonds (distance) C4'-P energy: -18.081
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -3.472
tors. eta vs tors. theta energy: -19.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -131.407412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.407412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.407412 (E_RNA)
where:
Base-Base interactions energy: -71.844
where: short stacking energy: -34.185
Base-Backbone interact. energy: 0.049
local terms energy: -59.611547
where:
bonds (distance) C4'-P energy: -17.352
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -5.922
tors. eta vs tors. theta energy: -6.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -129.218632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.218632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.218632 (E_RNA)
where:
Base-Base interactions energy: -64.985
where: short stacking energy: -41.571
Base-Backbone interact. energy: -0.066
local terms energy: -64.167494
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -15.418
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -7.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -84.619597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.619597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.619597 (E_RNA)
where:
Base-Base interactions energy: -30.316
where: short stacking energy: -29.860
Base-Backbone interact. energy: -0.162
local terms energy: -54.141587
where:
bonds (distance) C4'-P energy: -12.730
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -13.289
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -1.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -91.188623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.188623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.188623 (E_RNA)
where:
Base-Base interactions energy: -32.304
where: short stacking energy: -31.489
Base-Backbone interact. energy: -0.285
local terms energy: -58.599785
where:
bonds (distance) C4'-P energy: -17.714
bonds (distance) P-C4' energy: -17.391
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -3.478
tors. eta vs tors. theta energy: -6.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -92.984335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.984335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.984335 (E_RNA)
where:
Base-Base interactions energy: -38.650
where: short stacking energy: -26.564
Base-Backbone interact. energy: 0.140
local terms energy: -54.474302
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -11.969
flat angles C4'-P-C4' energy: -10.687
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -6.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -242.904150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.904150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.904150 (E_RNA)
where:
Base-Base interactions energy: -156.340
where: short stacking energy: -74.774
Base-Backbone interact. energy: -0.176
local terms energy: -86.388164
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -18.572
flat angles P-C4'-P energy: -14.910
tors. eta vs tors. theta energy: -20.361
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: 6
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -250.521217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.521217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.521217 (E_RNA)
where:
Base-Base interactions energy: -164.438
where: short stacking energy: -76.072
Base-Backbone interact. energy: -1.163
local terms energy: -84.919961
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -15.896
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -23.576
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: 2
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -208.014868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.014868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.014868 (E_RNA)
where:
Base-Base interactions energy: -124.854
where: short stacking energy: -61.442
Base-Backbone interact. energy: -0.394
local terms energy: -82.766645
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -19.912
flat angles C4'-P-C4' energy: -18.088
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -19.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -201.837468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.837468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.837468 (E_RNA)
where:
Base-Base interactions energy: -123.881
where: short stacking energy: -61.990
Base-Backbone interact. energy: -0.521
local terms energy: -77.435395
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -11.127
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -21.359
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: 3
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -197.905659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.905659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.905659 (E_RNA)
where:
Base-Base interactions energy: -123.889
where: short stacking energy: -61.954
Base-Backbone interact. energy: -0.062
local terms energy: -73.955413
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -12.773
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -12.487
tors. eta vs tors. theta energy: -20.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -103.213493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.213493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.213493 (E_RNA)
where:
Base-Base interactions energy: -35.387
where: short stacking energy: -26.832
Base-Backbone interact. energy: -0.139
local terms energy: -67.687167
where:
bonds (distance) C4'-P energy: -19.977
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -11.427
tors. eta vs tors. theta energy: -5.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -149.424112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.424112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.424112 (E_RNA)
where:
Base-Base interactions energy: -84.213
where: short stacking energy: -46.441
Base-Backbone interact. energy: -0.081
local terms energy: -65.129805
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -18.353
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -11.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -94.629245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.629245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.629245 (E_RNA)
where:
Base-Base interactions energy: -38.972
where: short stacking energy: -34.322
Base-Backbone interact. energy: -0.307
local terms energy: -55.349770
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -12.488
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -2.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -85.019717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.019717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.019717 (E_RNA)
where:
Base-Base interactions energy: -34.158
where: short stacking energy: -27.167
Base-Backbone interact. energy: -0.327
local terms energy: -50.534360
where:
bonds (distance) C4'-P energy: -9.917
bonds (distance) P-C4' energy: -17.170
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -9.975
tors. eta vs tors. theta energy: 1.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -100.145982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.145982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.145982 (E_RNA)
where:
Base-Base interactions energy: -35.335
where: short stacking energy: -34.166
Base-Backbone interact. energy: -0.188
local terms energy: -64.622913
where:
bonds (distance) C4'-P energy: -15.600
bonds (distance) P-C4' energy: -20.144
flat angles C4'-P-C4' energy: -11.853
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -8.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -240.208771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.208771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.208771 (E_RNA)
where:
Base-Base interactions energy: -151.277
where: short stacking energy: -67.363
Base-Backbone interact. energy: -0.037
local terms energy: -88.895145
where:
bonds (distance) C4'-P energy: -19.568
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -18.560
flat angles P-C4'-P energy: -13.942
tors. eta vs tors. theta energy: -19.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -252.074610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.074610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.074610 (E_RNA)
where:
Base-Base interactions energy: -170.883
where: short stacking energy: -74.925
Base-Backbone interact. energy: -0.419
local terms energy: -80.771797
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -18.291
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -12.493
tors. eta vs tors. theta energy: -20.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -203.393704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.393704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.393704 (E_RNA)
where:
Base-Base interactions energy: -125.311
where: short stacking energy: -54.205
Base-Backbone interact. energy: 0.004
local terms energy: -78.085957
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -13.730
tors. eta vs tors. theta energy: -15.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -190.816505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.816505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.816505 (E_RNA)
where:
Base-Base interactions energy: -109.854
where: short stacking energy: -50.330
Base-Backbone interact. energy: -0.165
local terms energy: -80.798137
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -20.711
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -15.588
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: 5, replica: 7
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -184.662973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.662973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.662973 (E_RNA)
where:
Base-Base interactions energy: -114.491
where: short stacking energy: -39.538
Base-Backbone interact. energy: 0.145
local terms energy: -70.317315
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -20.776
flat angles P-C4'-P energy: -8.688
tors. eta vs tors. theta energy: -11.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -159.332135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.332135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.332135 (E_RNA)
where:
Base-Base interactions energy: -86.115
where: short stacking energy: -44.072
Base-Backbone interact. energy: 1.319
local terms energy: -74.535657
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -13.962
flat angles C4'-P-C4' energy: -16.211
flat angles P-C4'-P energy: -13.232
tors. eta vs tors. theta energy: -13.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -92.086545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.086545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.086545 (E_RNA)
where:
Base-Base interactions energy: -33.293
where: short stacking energy: -23.691
Base-Backbone interact. energy: -0.917
local terms energy: -57.876998
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -12.159
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: -1.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -98.364376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.364376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.364376 (E_RNA)
where:
Base-Base interactions energy: -42.702
where: short stacking energy: -26.017
Base-Backbone interact. energy: -0.254
local terms energy: -55.408140
where:
bonds (distance) C4'-P energy: -17.944
bonds (distance) P-C4' energy: -13.269
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -1.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -77.672029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.672029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.672029 (E_RNA)
where:
Base-Base interactions energy: -28.835
where: short stacking energy: -25.944
Base-Backbone interact. energy: -0.155
local terms energy: -48.681529
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -5.561
tors. eta vs tors. theta energy: -1.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -76.834116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.834116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.834116 (E_RNA)
where:
Base-Base interactions energy: -36.513
where: short stacking energy: -25.991
Base-Backbone interact. energy: -0.643
local terms energy: -39.677366
where:
bonds (distance) C4'-P energy: -9.569
bonds (distance) P-C4' energy: -16.573
flat angles C4'-P-C4' energy: -11.372
flat angles P-C4'-P energy: -8.810
tors. eta vs tors. theta energy: 6.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -243.172845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.172845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.172845 (E_RNA)
where:
Base-Base interactions energy: -160.967
where: short stacking energy: -76.079
Base-Backbone interact. energy: -0.281
local terms energy: -81.924993
where:
bonds (distance) C4'-P energy: -12.961
bonds (distance) P-C4' energy: -19.089
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -14.047
tors. eta vs tors. theta energy: -19.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -260.085898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.085898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.085898 (E_RNA)
where:
Base-Base interactions energy: -172.815
where: short stacking energy: -80.217
Base-Backbone interact. energy: -0.305
local terms energy: -86.965456
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -19.492
flat angles C4'-P-C4' energy: -18.023
flat angles P-C4'-P energy: -13.148
tors. eta vs tors. theta energy: -20.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -195.319777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.319777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.319777 (E_RNA)
where:
Base-Base interactions energy: -115.222
where: short stacking energy: -55.511
Base-Backbone interact. energy: -0.110
local terms energy: -79.987653
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -20.067
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -13.086
tors. eta vs tors. theta energy: -17.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -185.093108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.093108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.093108 (E_RNA)
where:
Base-Base interactions energy: -110.503
where: short stacking energy: -63.037
Base-Backbone interact. energy: -0.494
local terms energy: -74.095328
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -16.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -182.124939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.124939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.124939 (E_RNA)
where:
Base-Base interactions energy: -102.953
where: short stacking energy: -49.129
Base-Backbone interact. energy: -0.002
local terms energy: -79.169906
where:
bonds (distance) C4'-P energy: -11.348
bonds (distance) P-C4' energy: -18.822
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -20.858
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: 10
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -157.711852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.711852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.711852 (E_RNA)
where:
Base-Base interactions energy: -89.413
where: short stacking energy: -51.863
Base-Backbone interact. energy: -0.785
local terms energy: -67.514048
where:
bonds (distance) C4'-P energy: -16.006
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -12.827
flat angles P-C4'-P energy: -6.025
tors. eta vs tors. theta energy: -14.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -113.204728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.204728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.204728 (E_RNA)
where:
Base-Base interactions energy: -46.248
where: short stacking energy: -35.852
Base-Backbone interact. energy: -0.201
local terms energy: -66.755889
where:
bonds (distance) C4'-P energy: -18.437
bonds (distance) P-C4' energy: -17.469
flat angles C4'-P-C4' energy: -16.168
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -5.323
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: 5
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -106.588610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.588610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.588610 (E_RNA)
where:
Base-Base interactions energy: -46.277
where: short stacking energy: -42.438
Base-Backbone interact. energy: -0.258
local terms energy: -60.053562
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -18.752
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -8.013
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: 9, replica: 9
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -95.790227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.790227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.790227 (E_RNA)
where:
Base-Base interactions energy: -46.932
where: short stacking energy: -32.048
Base-Backbone interact. energy: -0.039
local terms energy: -48.819577
where:
bonds (distance) C4'-P energy: -9.926
bonds (distance) P-C4' energy: -15.535
flat angles C4'-P-C4' energy: -11.481
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -3.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -81.814706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.814706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.814706 (E_RNA)
where:
Base-Base interactions energy: -36.430
where: short stacking energy: -27.861
Base-Backbone interact. energy: -0.407
local terms energy: -44.977475
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -15.429
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -3.481
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: 1, replica: 1
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -244.677280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.677280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.677280 (E_RNA)
where:
Base-Base interactions energy: -160.522
where: short stacking energy: -74.227
Base-Backbone interact. energy: -0.261
local terms energy: -83.894119
where:
bonds (distance) C4'-P energy: -16.466
bonds (distance) P-C4' energy: -10.627
flat angles C4'-P-C4' energy: -19.551
flat angles P-C4'-P energy: -15.835
tors. eta vs tors. theta energy: -21.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -251.977514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.977514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.977514 (E_RNA)
where:
Base-Base interactions energy: -162.912
where: short stacking energy: -77.195
Base-Backbone interact. energy: -0.826
local terms energy: -88.238872
where:
bonds (distance) C4'-P energy: -19.013
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -19.527
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -25.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -195.560568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.560568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.560568 (E_RNA)
where:
Base-Base interactions energy: -113.505
where: short stacking energy: -56.136
Base-Backbone interact. energy: -0.395
local terms energy: -81.659784
where:
bonds (distance) C4'-P energy: -16.824
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -19.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -196.928058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.928058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.928058 (E_RNA)
where:
Base-Base interactions energy: -117.871
where: short stacking energy: -71.202
Base-Backbone interact. energy: -0.001
local terms energy: -79.055867
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -17.433
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -13.138
tors. eta vs tors. theta energy: -19.464
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: 3
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -182.228006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.228006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.228006 (E_RNA)
where:
Base-Base interactions energy: -102.926
where: short stacking energy: -48.484
Base-Backbone interact. energy: -0.318
local terms energy: -78.983893
where:
bonds (distance) C4'-P energy: -17.232
bonds (distance) P-C4' energy: -20.070
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -10.076
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: 6, replica: 10
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -152.182964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.182964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.182964 (E_RNA)
where:
Base-Base interactions energy: -87.640
where: short stacking energy: -40.518
Base-Backbone interact. energy: -0.104
local terms energy: -64.438599
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -16.874
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -8.642
tors. eta vs tors. theta energy: -9.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -111.570206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.570206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.570206 (E_RNA)
where:
Base-Base interactions energy: -52.009
where: short stacking energy: -41.653
Base-Backbone interact. energy: -0.217
local terms energy: -59.344159
where:
bonds (distance) C4'-P energy: -15.598
bonds (distance) P-C4' energy: -16.546
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -3.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -83.016385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.016385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.016385 (E_RNA)
where:
Base-Base interactions energy: -28.035
where: short stacking energy: -23.354
Base-Backbone interact. energy: -1.087
local terms energy: -53.894652
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -17.272
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: 1.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -87.584923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.584923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.584923 (E_RNA)
where:
Base-Base interactions energy: -29.181
where: short stacking energy: -29.181
Base-Backbone interact. energy: -0.289
local terms energy: -58.114391
where:
bonds (distance) C4'-P energy: -11.655
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -6.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -86.949869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.949869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.949869 (E_RNA)
where:
Base-Base interactions energy: -38.290
where: short stacking energy: -23.730
Base-Backbone interact. energy: -0.116
local terms energy: -48.543884
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -10.322
flat angles P-C4'-P energy: -8.236
tors. eta vs tors. theta energy: -1.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -267.234049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.234049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.234049 (E_RNA)
where:
Base-Base interactions energy: -181.554
where: short stacking energy: -74.666
Base-Backbone interact. energy: -0.696
local terms energy: -84.984683
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -19.174
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -22.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -246.503339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.503339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.503339 (E_RNA)
where:
Base-Base interactions energy: -153.890
where: short stacking energy: -71.138
Base-Backbone interact. energy: -0.169
local terms energy: -92.443981
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -19.588
flat angles C4'-P-C4' energy: -18.288
flat angles P-C4'-P energy: -16.585
tors. eta vs tors. theta energy: -21.001
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: 3, replica: 7
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -200.139449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.139449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.139449 (E_RNA)
where:
Base-Base interactions energy: -120.534
where: short stacking energy: -56.564
Base-Backbone interact. energy: -1.215
local terms energy: -78.390078
where:
bonds (distance) C4'-P energy: -18.040
bonds (distance) P-C4' energy: -16.201
flat angles C4'-P-C4' energy: -16.841
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -16.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -192.077013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.077013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.077013 (E_RNA)
where:
Base-Base interactions energy: -111.880
where: short stacking energy: -51.933
Base-Backbone interact. energy: -0.047
local terms energy: -80.150407
where:
bonds (distance) C4'-P energy: -17.208
bonds (distance) P-C4' energy: -15.334
flat angles C4'-P-C4' energy: -17.908
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -19.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -189.256059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.256059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.256059 (E_RNA)
where:
Base-Base interactions energy: -120.184
where: short stacking energy: -57.668
Base-Backbone interact. energy: 0.352
local terms energy: -69.424626
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -15.664
flat angles C4'-P-C4' energy: -10.735
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -17.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -156.013186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.013186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.013186 (E_RNA)
where:
Base-Base interactions energy: -92.515
where: short stacking energy: -40.098
Base-Backbone interact. energy: -0.959
local terms energy: -62.539501
where:
bonds (distance) C4'-P energy: -15.565
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -9.723
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: 7, replica: 8
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -109.655416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.655416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.655416 (E_RNA)
where:
Base-Base interactions energy: -46.553
where: short stacking energy: -32.418
Base-Backbone interact. energy: 0.791
local terms energy: -63.893737
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -18.904
flat angles C4'-P-C4' energy: -17.774
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -7.418
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: 9
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -103.494479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.494479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.494479 (E_RNA)
where:
Base-Base interactions energy: -33.153
where: short stacking energy: -29.992
Base-Backbone interact. energy: -0.045
local terms energy: -70.296139
where:
bonds (distance) C4'-P energy: -17.716
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -9.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -86.281365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.281365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.281365 (E_RNA)
where:
Base-Base interactions energy: -28.933
where: short stacking energy: -28.731
Base-Backbone interact. energy: 0.079
local terms energy: -57.427246
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -4.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -87.260882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.260882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.260882 (E_RNA)
where:
Base-Base interactions energy: -26.798
where: short stacking energy: -26.798
Base-Backbone interact. energy: -0.173
local terms energy: -60.289812
where:
bonds (distance) C4'-P energy: -16.699
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -7.782
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: 1, replica: 6
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -264.918199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.918199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.918199 (E_RNA)
where:
Base-Base interactions energy: -172.349
where: short stacking energy: -87.045
Base-Backbone interact. energy: -0.066
local terms energy: -92.503571
where:
bonds (distance) C4'-P energy: -17.494
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -19.529
flat angles P-C4'-P energy: -12.143
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: 2, replica: 1
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -237.319116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.319116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.319116 (E_RNA)
where:
Base-Base interactions energy: -156.384
where: short stacking energy: -75.188
Base-Backbone interact. energy: -0.020
local terms energy: -80.914444
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -17.179
flat angles P-C4'-P energy: -13.737
tors. eta vs tors. theta energy: -18.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -210.475486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.475486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.475486 (E_RNA)
where:
Base-Base interactions energy: -123.376
where: short stacking energy: -63.481
Base-Backbone interact. energy: -0.829
local terms energy: -86.269740
where:
bonds (distance) C4'-P energy: -20.354
bonds (distance) P-C4' energy: -18.534
flat angles C4'-P-C4' energy: -17.505
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -21.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -187.191239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.191239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.191239 (E_RNA)
where:
Base-Base interactions energy: -115.716
where: short stacking energy: -54.367
Base-Backbone interact. energy: 0.276
local terms energy: -71.751590
where:
bonds (distance) C4'-P energy: -17.394
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -6.513
tors. eta vs tors. theta energy: -16.359
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: 3
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -116.324823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.324823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.324823 (E_RNA)
where:
Base-Base interactions energy: -56.845
where: short stacking energy: -49.877
Base-Backbone interact. energy: -0.154
local terms energy: -59.326312
where:
bonds (distance) C4'-P energy: -10.534
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -10.893
tors. eta vs tors. theta energy: -6.626
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: 10
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -155.404028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.404028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.404028 (E_RNA)
where:
Base-Base interactions energy: -87.594
where: short stacking energy: -48.151
Base-Backbone interact. energy: -0.419
local terms energy: -67.391115
where:
bonds (distance) C4'-P energy: -16.660
bonds (distance) P-C4' energy: -14.434
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: -13.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -92.158304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.158304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.158304 (E_RNA)
where:
Base-Base interactions energy: -40.821
where: short stacking energy: -34.174
Base-Backbone interact. energy: 0.354
local terms energy: -51.690972
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -8.971
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -6.564
tors. eta vs tors. theta energy: -2.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -92.989414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.989414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.989414 (E_RNA)
where:
Base-Base interactions energy: -35.513
where: short stacking energy: -33.351
Base-Backbone interact. energy: 0.458
local terms energy: -57.935035
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -19.432
flat angles C4'-P-C4' energy: -9.955
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -4.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -86.920768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.920768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.920768 (E_RNA)
where:
Base-Base interactions energy: -28.460
where: short stacking energy: -24.570
Base-Backbone interact. energy: -0.182
local terms energy: -58.278192
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -12.724
flat angles C4'-P-C4' energy: -16.965
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -5.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -99.183329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.183329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.183329 (E_RNA)
where:
Base-Base interactions energy: -42.591
where: short stacking energy: -33.438
Base-Backbone interact. energy: 0.199
local terms energy: -56.790883
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -19.295
flat angles C4'-P-C4' energy: -12.374
flat angles P-C4'-P energy: -6.209
tors. eta vs tors. theta energy: -6.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -260.533667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.533667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.533667 (E_RNA)
where:
Base-Base interactions energy: -168.143
where: short stacking energy: -74.055
Base-Backbone interact. energy: -1.767
local terms energy: -90.623701
where:
bonds (distance) C4'-P energy: -17.010
bonds (distance) P-C4' energy: -19.932
flat angles C4'-P-C4' energy: -17.076
flat angles P-C4'-P energy: -13.855
tors. eta vs tors. theta energy: -22.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -241.356267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.356267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.356267 (E_RNA)
where:
Base-Base interactions energy: -156.165
where: short stacking energy: -75.965
Base-Backbone interact. energy: -0.240
local terms energy: -84.950804
where:
bonds (distance) C4'-P energy: -17.470
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -19.868
flat angles P-C4'-P energy: -11.405
tors. eta vs tors. theta energy: -21.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -204.268119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.268119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.268119 (E_RNA)
where:
Base-Base interactions energy: -127.213
where: short stacking energy: -62.930
Base-Backbone interact. energy: -0.791
local terms energy: -76.264148
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -19.458
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -20.074
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: 7
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -200.863422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.863422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.863422 (E_RNA)
where:
Base-Base interactions energy: -120.301
where: short stacking energy: -59.951
Base-Backbone interact. energy: -0.840
local terms energy: -79.722974
where:
bonds (distance) C4'-P energy: -17.609
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -18.716
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -18.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -151.883182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.883182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.883182 (E_RNA)
where:
Base-Base interactions energy: -83.427
where: short stacking energy: -45.833
Base-Backbone interact. energy: -0.374
local terms energy: -68.083102
where:
bonds (distance) C4'-P energy: -18.065
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -6.764
tors. eta vs tors. theta energy: -10.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -126.805691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.805691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.805691 (E_RNA)
where:
Base-Base interactions energy: -55.045
where: short stacking energy: -43.934
Base-Backbone interact. energy: -0.108
local terms energy: -71.652964
where:
bonds (distance) C4'-P energy: -18.000
bonds (distance) P-C4' energy: -10.239
flat angles C4'-P-C4' energy: -17.715
flat angles P-C4'-P energy: -11.777
tors. eta vs tors. theta energy: -13.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -102.764791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.764791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.764791 (E_RNA)
where:
Base-Base interactions energy: -45.931
where: short stacking energy: -27.765
Base-Backbone interact. energy: -1.640
local terms energy: -55.193944
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -18.649
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: -0.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -110.977587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.977587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.977587 (E_RNA)
where:
Base-Base interactions energy: -59.165
where: short stacking energy: -40.382
Base-Backbone interact. energy: -0.035
local terms energy: -51.777013
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -17.124
flat angles C4'-P-C4' energy: -9.712
flat angles P-C4'-P energy: -6.478
tors. eta vs tors. theta energy: -6.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -90.447199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.447199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.447199 (E_RNA)
where:
Base-Base interactions energy: -36.491
where: short stacking energy: -24.347
Base-Backbone interact. energy: -0.995
local terms energy: -52.961236
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -17.600
flat angles P-C4'-P energy: -5.421
tors. eta vs tors. theta energy: 0.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -80.738759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.738759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.738759 (E_RNA)
where:
Base-Base interactions energy: -18.967
where: short stacking energy: -20.048
Base-Backbone interact. energy: -0.648
local terms energy: -61.124180
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -17.243
flat angles P-C4'-P energy: -11.866
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: 1, replica: 6
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -256.904873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.904873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.904873 (E_RNA)
where:
Base-Base interactions energy: -171.803
where: short stacking energy: -80.156
Base-Backbone interact. energy: -1.212
local terms energy: -83.890585
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -14.824
tors. eta vs tors. theta energy: -22.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -201.974147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.974147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.974147 (E_RNA)
where:
Base-Base interactions energy: -124.278
where: short stacking energy: -56.760
Base-Backbone interact. energy: -0.449
local terms energy: -77.247776
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -16.443
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -14.582
tors. eta vs tors. theta energy: -17.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -231.908183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.908183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.908183 (E_RNA)
where:
Base-Base interactions energy: -146.588
where: short stacking energy: -69.227
Base-Backbone interact. energy: -0.386
local terms energy: -84.934785
where:
bonds (distance) C4'-P energy: -16.735
bonds (distance) P-C4' energy: -17.808
flat angles C4'-P-C4' energy: -19.667
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: -20.191
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: 4, replica: 10
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -166.889735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.889735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.889735 (E_RNA)
where:
Base-Base interactions energy: -91.107
where: short stacking energy: -52.035
Base-Backbone interact. energy: -0.290
local terms energy: -75.493034
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -18.926
flat angles C4'-P-C4' energy: -17.117
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -11.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -192.922667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.922667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.922667 (E_RNA)
where:
Base-Base interactions energy: -115.862
where: short stacking energy: -41.772
Base-Backbone interact. energy: 0.268
local terms energy: -77.329274
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -18.263
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -13.191
tors. eta vs tors. theta energy: -14.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -107.121491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.121491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.121491 (E_RNA)
where:
Base-Base interactions energy: -42.224
where: short stacking energy: -42.224
Base-Backbone interact. energy: 0.283
local terms energy: -65.180775
where:
bonds (distance) C4'-P energy: -17.003
bonds (distance) P-C4' energy: -13.632
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -7.983
tors. eta vs tors. theta energy: -11.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -104.746146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.746146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.746146 (E_RNA)
where:
Base-Base interactions energy: -57.287
where: short stacking energy: -32.879
Base-Backbone interact. energy: 0.116
local terms energy: -47.575447
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -11.071
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: 1.808
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: 5
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -94.713940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.713940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.713940 (E_RNA)
where:
Base-Base interactions energy: -35.168
where: short stacking energy: -22.433
Base-Backbone interact. energy: -0.818
local terms energy: -58.727658
where:
bonds (distance) C4'-P energy: -16.704
bonds (distance) P-C4' energy: -13.066
flat angles C4'-P-C4' energy: -17.616
flat angles P-C4'-P energy: -5.255
tors. eta vs tors. theta energy: -6.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -102.462235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.462235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.462235 (E_RNA)
where:
Base-Base interactions energy: -31.170
where: short stacking energy: -25.427
Base-Backbone interact. energy: -0.306
local terms energy: -70.986203
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -19.086
flat angles C4'-P-C4' energy: -19.501
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -7.398
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: 9
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -98.516513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.516513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.516513 (E_RNA)
where:
Base-Base interactions energy: -46.179
where: short stacking energy: -21.669
Base-Backbone interact. energy: -0.679
local terms energy: -51.657957
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: 0.608
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: 6
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -252.512109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.512109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.512109 (E_RNA)
where:
Base-Base interactions energy: -173.011
where: short stacking energy: -77.369
Base-Backbone interact. energy: -0.045
local terms energy: -79.456099
where:
bonds (distance) C4'-P energy: -13.148
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -17.407
flat angles P-C4'-P energy: -14.767
tors. eta vs tors. theta energy: -18.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -207.733125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.733125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.733125 (E_RNA)
where:
Base-Base interactions energy: -129.911
where: short stacking energy: -66.475
Base-Backbone interact. energy: -1.235
local terms energy: -76.587331
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -9.293
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: 3, replica: 1
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -237.792744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.792744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.792744 (E_RNA)
where:
Base-Base interactions energy: -155.998
where: short stacking energy: -71.070
Base-Backbone interact. energy: -0.220
local terms energy: -81.574142
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -17.715
flat angles C4'-P-C4' energy: -18.268
flat angles P-C4'-P energy: -11.902
tors. eta vs tors. theta energy: -19.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -169.861898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.861898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.861898 (E_RNA)
where:
Base-Base interactions energy: -93.028
where: short stacking energy: -56.415
Base-Backbone interact. energy: -0.134
local terms energy: -76.700167
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -17.266
flat angles C4'-P-C4' energy: -17.688
flat angles P-C4'-P energy: -14.631
tors. eta vs tors. theta energy: -14.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -171.561265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.561265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.561265 (E_RNA)
where:
Base-Base interactions energy: -104.485
where: short stacking energy: -39.123
Base-Backbone interact. energy: -1.142
local terms energy: -65.934867
where:
bonds (distance) C4'-P energy: -15.872
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -12.138
tors. eta vs tors. theta energy: -8.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -100.668604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.668604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.668604 (E_RNA)
where:
Base-Base interactions energy: -45.228
where: short stacking energy: -23.713
Base-Backbone interact. energy: -0.066
local terms energy: -55.374965
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -10.754
flat angles P-C4'-P energy: -13.286
tors. eta vs tors. theta energy: -1.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -101.660149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.660149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.660149 (E_RNA)
where:
Base-Base interactions energy: -41.588
where: short stacking energy: -22.082
Base-Backbone interact. energy: -0.545
local terms energy: -59.527047
where:
bonds (distance) C4'-P energy: -14.001
bonds (distance) P-C4' energy: -18.531
flat angles C4'-P-C4' energy: -12.391
flat angles P-C4'-P energy: -13.309
tors. eta vs tors. theta energy: -1.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -92.429306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.429306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.429306 (E_RNA)
where:
Base-Base interactions energy: -42.235
where: short stacking energy: -14.939
Base-Backbone interact. energy: 0.495
local terms energy: -50.689838
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -13.357
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: 4.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -85.934630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.934630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.934630 (E_RNA)
where:
Base-Base interactions energy: -28.942
where: short stacking energy: -21.871
Base-Backbone interact. energy: -0.721
local terms energy: -56.272031
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -12.916
flat angles C4'-P-C4' energy: -11.682
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -5.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -86.181135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.181135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.181135 (E_RNA)
where:
Base-Base interactions energy: -33.189
where: short stacking energy: -33.189
Base-Backbone interact. energy: -0.103
local terms energy: -52.889074
where:
bonds (distance) C4'-P energy: -18.864
bonds (distance) P-C4' energy: -10.786
flat angles C4'-P-C4' energy: -12.018
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -2.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -258.459128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.459128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.459128 (E_RNA)
where:
Base-Base interactions energy: -162.137
where: short stacking energy: -80.134
Base-Backbone interact. energy: -1.742
local terms energy: -94.580416
where:
bonds (distance) C4'-P energy: -18.473
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -20.911
flat angles P-C4'-P energy: -13.215
tors. eta vs tors. theta energy: -26.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -237.359562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.359562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.359562 (E_RNA)
where:
Base-Base interactions energy: -156.326
where: short stacking energy: -72.941
Base-Backbone interact. energy: -0.273
local terms energy: -80.760228
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -19.221
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: -12.683
tors. eta vs tors. theta energy: -16.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -209.917006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.917006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.917006 (E_RNA)
where:
Base-Base interactions energy: -132.000
where: short stacking energy: -50.960
Base-Backbone interact. energy: -0.218
local terms energy: -77.699168
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -20.111
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -19.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -175.350779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.350779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.350779 (E_RNA)
where:
Base-Base interactions energy: -104.985
where: short stacking energy: -48.860
Base-Backbone interact. energy: -0.392
local terms energy: -69.973725
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -19.778
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: -9.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -166.159478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.159478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.159478 (E_RNA)
where:
Base-Base interactions energy: -99.159
where: short stacking energy: -40.897
Base-Backbone interact. energy: -0.676
local terms energy: -66.324105
where:
bonds (distance) C4'-P energy: -17.060
bonds (distance) P-C4' energy: -16.024
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: -9.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -112.841821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.841821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.841821 (E_RNA)
where:
Base-Base interactions energy: -63.735
where: short stacking energy: -34.990
Base-Backbone interact. energy: -0.144
local terms energy: -48.962687
where:
bonds (distance) C4'-P energy: -10.593
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -7.169
tors. eta vs tors. theta energy: -1.588
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: 8
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -99.927160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.927160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.927160 (E_RNA)
where:
Base-Base interactions energy: -52.240
where: short stacking energy: -40.039
Base-Backbone interact. energy: 0.273
local terms energy: -47.960377
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: 0.552
tors. eta vs tors. theta energy: -2.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -94.655009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.655009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.655009 (E_RNA)
where:
Base-Base interactions energy: -35.403
where: short stacking energy: -30.358
Base-Backbone interact. energy: -0.266
local terms energy: -58.985495
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -14.943
flat angles C4'-P-C4' energy: -15.879
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -1.528
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: 9, replica: 9
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -87.925638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.925638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.925638 (E_RNA)
where:
Base-Base interactions energy: -29.773
where: short stacking energy: -29.773
Base-Backbone interact. energy: -0.382
local terms energy: -57.770202
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -11.451
flat angles C4'-P-C4' energy: -16.369
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -5.123
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: 4
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -79.300389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.300389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.300389 (E_RNA)
where:
Base-Base interactions energy: -29.972
where: short stacking energy: -21.656
Base-Backbone interact. energy: -0.354
local terms energy: -48.974768
where:
bonds (distance) C4'-P energy: -15.244
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -10.175
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: 0.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -256.280015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.280015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.280015 (E_RNA)
where:
Base-Base interactions energy: -170.721
where: short stacking energy: -82.169
Base-Backbone interact. energy: -0.041
local terms energy: -85.518007
where:
bonds (distance) C4'-P energy: -18.366
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -19.327
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -21.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -232.154949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.154949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.154949 (E_RNA)
where:
Base-Base interactions energy: -152.072
where: short stacking energy: -68.393
Base-Backbone interact. energy: 0.720
local terms energy: -80.802328
where:
bonds (distance) C4'-P energy: -12.519
bonds (distance) P-C4' energy: -16.800
flat angles C4'-P-C4' energy: -18.700
flat angles P-C4'-P energy: -15.661
tors. eta vs tors. theta energy: -17.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -203.263295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.263295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.263295 (E_RNA)
where:
Base-Base interactions energy: -124.016
where: short stacking energy: -49.357
Base-Backbone interact. energy: -0.264
local terms energy: -78.983543
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -18.770
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -14.395
tors. eta vs tors. theta energy: -15.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -209.174167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.174167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.174167 (E_RNA)
where:
Base-Base interactions energy: -141.242
where: short stacking energy: -45.268
Base-Backbone interact. energy: -0.731
local terms energy: -67.201306
where:
bonds (distance) C4'-P energy: -13.417
bonds (distance) P-C4' energy: -12.043
flat angles C4'-P-C4' energy: -17.482
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -12.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -192.453457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.453457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.453457 (E_RNA)
where:
Base-Base interactions energy: -118.612
where: short stacking energy: -53.449
Base-Backbone interact. energy: 0.426
local terms energy: -74.267326
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -13.729
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -21.387
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: 46
Temperature: 1.150000
Total energy: -110.472884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.472884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.472884 (E_RNA)
where:
Base-Base interactions energy: -46.034
where: short stacking energy: -39.714
Base-Backbone interact. energy: -0.049
local terms energy: -64.389912
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -19.314
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -6.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -93.200147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.200147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.200147 (E_RNA)
where:
Base-Base interactions energy: -43.573
where: short stacking energy: -21.177
Base-Backbone interact. energy: -1.283
local terms energy: -48.344313
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -13.150
flat angles C4'-P-C4' energy: -11.616
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -1.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -88.486738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.486738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.486738 (E_RNA)
where:
Base-Base interactions energy: -42.751
where: short stacking energy: -30.199
Base-Backbone interact. energy: -0.596
local terms energy: -45.139612
where:
bonds (distance) C4'-P energy: -5.592
bonds (distance) P-C4' energy: -20.445
flat angles C4'-P-C4' energy: -12.439
flat angles P-C4'-P energy: -3.636
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: 9, replica: 4
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -82.548282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.548282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.548282 (E_RNA)
where:
Base-Base interactions energy: -30.451
where: short stacking energy: -30.451
Base-Backbone interact. energy: -0.174
local terms energy: -51.923429
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -21.364
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -7.486
tors. eta vs tors. theta energy: 3.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -82.864125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.864125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.864125 (E_RNA)
where:
Base-Base interactions energy: -26.812
where: short stacking energy: -20.931
Base-Backbone interact. energy: -0.725
local terms energy: -55.327762
where:
bonds (distance) C4'-P energy: -15.172
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -5.652
tors. eta vs tors. theta energy: -4.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -251.632456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.632456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.632456 (E_RNA)
where:
Base-Base interactions energy: -162.952
where: short stacking energy: -77.790
Base-Backbone interact. energy: -0.103
local terms energy: -88.577108
where:
bonds (distance) C4'-P energy: -17.128
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -21.040
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -23.240
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: 2
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -192.420941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.420941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.420941 (E_RNA)
where:
Base-Base interactions energy: -117.903
where: short stacking energy: -51.393
Base-Backbone interact. energy: -0.326
local terms energy: -74.191867
where:
bonds (distance) C4'-P energy: -17.920
bonds (distance) P-C4' energy: -17.375
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -12.033
tors. eta vs tors. theta energy: -10.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -238.586960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.586960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.586960 (E_RNA)
where:
Base-Base interactions energy: -157.545
where: short stacking energy: -78.885
Base-Backbone interact. energy: 2.485
local terms energy: -83.526615
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -19.049
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -12.319
tors. eta vs tors. theta energy: -20.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -186.310716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.310716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.310716 (E_RNA)
where:
Base-Base interactions energy: -109.390
where: short stacking energy: -51.981
Base-Backbone interact. energy: -0.787
local terms energy: -76.133502
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -14.314
tors. eta vs tors. theta energy: -15.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -208.221285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.221285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.221285 (E_RNA)
where:
Base-Base interactions energy: -140.574
where: short stacking energy: -52.099
Base-Backbone interact. energy: 0.686
local terms energy: -68.333419
where:
bonds (distance) C4'-P energy: -11.180
bonds (distance) P-C4' energy: -15.394
flat angles C4'-P-C4' energy: -17.052
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -13.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -103.587388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.587388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.587388 (E_RNA)
where:
Base-Base interactions energy: -46.179
where: short stacking energy: -21.708
Base-Backbone interact. energy: -0.293
local terms energy: -57.115592
where:
bonds (distance) C4'-P energy: -12.295
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -13.311
flat angles P-C4'-P energy: -12.196
tors. eta vs tors. theta energy: -1.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -104.355817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.355817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.355817 (E_RNA)
where:
Base-Base interactions energy: -43.984
where: short stacking energy: -36.081
Base-Backbone interact. energy: -0.534
local terms energy: -59.838419
where:
bonds (distance) C4'-P energy: -16.352
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -10.864
flat angles P-C4'-P energy: -5.909
tors. eta vs tors. theta energy: -8.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -85.766155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.766155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.766155 (E_RNA)
where:
Base-Base interactions energy: -31.388
where: short stacking energy: -27.920
Base-Backbone interact. energy: -0.184
local terms energy: -54.193744
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -19.228
flat angles C4'-P-C4' energy: -11.667
flat angles P-C4'-P energy: -7.245
tors. eta vs tors. theta energy: -1.782
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: 9, replica: 8
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -91.014398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.014398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.014398 (E_RNA)
where:
Base-Base interactions energy: -38.472
where: short stacking energy: -28.731
Base-Backbone interact. energy: -0.430
local terms energy: -52.111686
where:
bonds (distance) C4'-P energy: -19.398
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -10.823
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: 0.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -98.404882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.404882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.404882 (E_RNA)
where:
Base-Base interactions energy: -39.005
where: short stacking energy: -35.202
Base-Backbone interact. energy: 0.097
local terms energy: -59.496901
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -20.631
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -1.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -262.444047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.444047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.444047 (E_RNA)
where:
Base-Base interactions energy: -167.748
where: short stacking energy: -83.379
Base-Backbone interact. energy: -0.221
local terms energy: -94.475397
where:
bonds (distance) C4'-P energy: -17.683
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -17.575
flat angles P-C4'-P energy: -16.631
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: 2, replica: 2
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -216.225003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.225003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.225003 (E_RNA)
where:
Base-Base interactions energy: -132.828
where: short stacking energy: -76.942
Base-Backbone interact. energy: -0.077
local terms energy: -83.319547
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -17.859
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -21.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -232.910791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.910791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.910791 (E_RNA)
where:
Base-Base interactions energy: -149.542
where: short stacking energy: -68.965
Base-Backbone interact. energy: -0.215
local terms energy: -83.154111
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -18.280
flat angles C4'-P-C4' energy: -17.941
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -20.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -197.691747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.691747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.691747 (E_RNA)
where:
Base-Base interactions energy: -119.987
where: short stacking energy: -58.461
Base-Backbone interact. energy: 1.318
local terms energy: -79.023308
where:
bonds (distance) C4'-P energy: -14.096
bonds (distance) P-C4' energy: -17.864
flat angles C4'-P-C4' energy: -20.556
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -15.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -215.967984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.967984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.967984 (E_RNA)
where:
Base-Base interactions energy: -135.171
where: short stacking energy: -53.932
Base-Backbone interact. energy: -0.310
local terms energy: -80.486670
where:
bonds (distance) C4'-P energy: -16.021
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -19.398
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -16.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -104.448427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.448427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.448427 (E_RNA)
where:
Base-Base interactions energy: -44.291
where: short stacking energy: -25.780
Base-Backbone interact. energy: -0.871
local terms energy: -59.286532
where:
bonds (distance) C4'-P energy: -12.366
bonds (distance) P-C4' energy: -20.282
flat angles C4'-P-C4' energy: -12.194
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -3.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -86.648089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.648089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.648089 (E_RNA)
where:
Base-Base interactions energy: -29.770
where: short stacking energy: -29.770
Base-Backbone interact. energy: -0.317
local terms energy: -56.561677
where:
bonds (distance) C4'-P energy: -10.189
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -4.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -115.372624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.372624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.372624 (E_RNA)
where:
Base-Base interactions energy: -42.643
where: short stacking energy: -31.707
Base-Backbone interact. energy: 0.078
local terms energy: -72.806931
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -19.764
flat angles C4'-P-C4' energy: -17.979
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -8.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -86.122791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.122791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.122791 (E_RNA)
where:
Base-Base interactions energy: -30.676
where: short stacking energy: -25.929
Base-Backbone interact. energy: -0.043
local terms energy: -55.403834
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -18.893
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -3.825
tors. eta vs tors. theta energy: -4.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -75.588989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.588989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.588989 (E_RNA)
where:
Base-Base interactions energy: -26.191
where: short stacking energy: -20.825
Base-Backbone interact. energy: -0.108
local terms energy: -49.289477
where:
bonds (distance) C4'-P energy: -9.118
bonds (distance) P-C4' energy: -10.771
flat angles C4'-P-C4' energy: -16.936
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -1.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -257.705204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.705204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.705204 (E_RNA)
where:
Base-Base interactions energy: -176.115
where: short stacking energy: -73.091
Base-Backbone interact. energy: -0.427
local terms energy: -81.163616
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -18.630
flat angles P-C4'-P energy: -12.297
tors. eta vs tors. theta energy: -18.124
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: 1
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -232.765876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.765876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.765876 (E_RNA)
where:
Base-Base interactions energy: -148.568
where: short stacking energy: -68.123
Base-Backbone interact. energy: -0.283
local terms energy: -83.914986
where:
bonds (distance) C4'-P energy: -17.472
bonds (distance) P-C4' energy: -14.597
flat angles C4'-P-C4' energy: -17.502
flat angles P-C4'-P energy: -13.453
tors. eta vs tors. theta energy: -20.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -199.984602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.984602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.984602 (E_RNA)
where:
Base-Base interactions energy: -117.695
where: short stacking energy: -57.024
Base-Backbone interact. energy: 0.810
local terms energy: -83.100282
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -19.021
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -18.348
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: 4, replica: 10
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -226.048758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.048758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.048758 (E_RNA)
where:
Base-Base interactions energy: -148.033
where: short stacking energy: -61.525
Base-Backbone interact. energy: -0.926
local terms energy: -77.088999
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -18.589
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -8.293
tors. eta vs tors. theta energy: -19.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -190.515127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.515127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.515127 (E_RNA)
where:
Base-Base interactions energy: -112.246
where: short stacking energy: -56.872
Base-Backbone interact. energy: -0.097
local terms energy: -78.172114
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -19.445
flat angles C4'-P-C4' energy: -16.928
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -16.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -110.149718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.149718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.149718 (E_RNA)
where:
Base-Base interactions energy: -53.005
where: short stacking energy: -39.604
Base-Backbone interact. energy: -0.288
local terms energy: -56.857092
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: -5.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -102.059873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.059873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.059873 (E_RNA)
where:
Base-Base interactions energy: -42.373
where: short stacking energy: -42.373
Base-Backbone interact. energy: -0.428
local terms energy: -59.258854
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -10.680
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -4.173
tors. eta vs tors. theta energy: -10.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -105.783631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.783631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.783631 (E_RNA)
where:
Base-Base interactions energy: -45.129
where: short stacking energy: -45.129
Base-Backbone interact. energy: -0.091
local terms energy: -60.563377
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -12.315
flat angles P-C4'-P energy: -6.201
tors. eta vs tors. theta energy: -11.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -91.310449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.310449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.310449 (E_RNA)
where:
Base-Base interactions energy: -42.472
where: short stacking energy: -20.349
Base-Backbone interact. energy: -0.926
local terms energy: -47.912155
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -18.530
flat angles C4'-P-C4' energy: -12.677
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: 4.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -76.517358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.517358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.517358 (E_RNA)
where:
Base-Base interactions energy: -27.142
where: short stacking energy: -14.602
Base-Backbone interact. energy: -0.402
local terms energy: -48.972983
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -13.316
flat angles C4'-P-C4' energy: -11.437
flat angles P-C4'-P energy: -10.546
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: 1, replica: 6
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -265.417175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.417175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.417175 (E_RNA)
where:
Base-Base interactions energy: -175.992
where: short stacking energy: -77.421
Base-Backbone interact. energy: -1.420
local terms energy: -88.005088
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -19.904
flat angles C4'-P-C4' energy: -19.499
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -20.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -239.175337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.175337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.175337 (E_RNA)
where:
Base-Base interactions energy: -152.703
where: short stacking energy: -68.757
Base-Backbone interact. energy: -0.292
local terms energy: -86.179791
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -19.166
flat angles C4'-P-C4' energy: -17.957
flat angles P-C4'-P energy: -12.747
tors. eta vs tors. theta energy: -21.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -229.467376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.467376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.467376 (E_RNA)
where:
Base-Base interactions energy: -141.592
where: short stacking energy: -59.069
Base-Backbone interact. energy: -0.434
local terms energy: -87.442098
where:
bonds (distance) C4'-P energy: -19.494
bonds (distance) P-C4' energy: -20.015
flat angles C4'-P-C4' energy: -17.945
flat angles P-C4'-P energy: -12.808
tors. eta vs tors. theta energy: -17.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -189.982670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.982670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.982670 (E_RNA)
where:
Base-Base interactions energy: -117.359
where: short stacking energy: -53.052
Base-Backbone interact. energy: -0.001
local terms energy: -72.622039
where:
bonds (distance) C4'-P energy: -19.662
bonds (distance) P-C4' energy: -14.562
flat angles C4'-P-C4' energy: -18.337
flat angles P-C4'-P energy: -8.703
tors. eta vs tors. theta energy: -11.358
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: 7
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -174.618015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.618015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.618015 (E_RNA)
where:
Base-Base interactions energy: -107.409
where: short stacking energy: -51.013
Base-Backbone interact. energy: -0.408
local terms energy: -66.801119
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -14.702
flat angles C4'-P-C4' energy: -12.385
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -14.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -105.198673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.198673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.198673 (E_RNA)
where:
Base-Base interactions energy: -37.721
where: short stacking energy: -36.681
Base-Backbone interact. energy: 2.553
local terms energy: -70.031127
where:
bonds (distance) C4'-P energy: -14.246
bonds (distance) P-C4' energy: -20.363
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -10.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -100.039418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.039418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.039418 (E_RNA)
where:
Base-Base interactions energy: -49.742
where: short stacking energy: -32.650
Base-Backbone interact. energy: -1.818
local terms energy: -48.479152
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -9.863
flat angles P-C4'-P energy: -9.659
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: 9
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -99.341254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.341254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.341254 (E_RNA)
where:
Base-Base interactions energy: -48.404
where: short stacking energy: -25.718
Base-Backbone interact. energy: -0.153
local terms energy: -50.783863
where:
bonds (distance) C4'-P energy: -11.014
bonds (distance) P-C4' energy: -18.678
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -7.816
tors. eta vs tors. theta energy: 0.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -89.194047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.194047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.194047 (E_RNA)
where:
Base-Base interactions energy: -33.882
where: short stacking energy: -35.482
Base-Backbone interact. energy: -0.499
local terms energy: -54.812699
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -9.826
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -7.244
tors. eta vs tors. theta energy: -7.738
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: 5
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -86.601696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.601696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.601696 (E_RNA)
where:
Base-Base interactions energy: -28.639
where: short stacking energy: -28.639
Base-Backbone interact. energy: 0.908
local terms energy: -58.871333
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -8.073
flat angles P-C4'-P energy: -11.208
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: 1, replica: 6
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -273.107056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.107056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.107056 (E_RNA)
where:
Base-Base interactions energy: -182.096
where: short stacking energy: -80.175
Base-Backbone interact. energy: -0.195
local terms energy: -90.816428
where:
bonds (distance) C4'-P energy: -19.709
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -15.978
flat angles P-C4'-P energy: -14.903
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: 2, replica: 1
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -239.745349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.745349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.745349 (E_RNA)
where:
Base-Base interactions energy: -157.201
where: short stacking energy: -69.265
Base-Backbone interact. energy: -0.009
local terms energy: -82.534720
where:
bonds (distance) C4'-P energy: -13.198
bonds (distance) P-C4' energy: -16.623
flat angles C4'-P-C4' energy: -17.789
flat angles P-C4'-P energy: -15.937
tors. eta vs tors. theta energy: -18.987
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: 10
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -209.505573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.505573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.505573 (E_RNA)
where:
Base-Base interactions energy: -130.589
where: short stacking energy: -63.835
Base-Backbone interact. energy: -0.200
local terms energy: -78.716141
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -20.376
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -14.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -164.731497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.731497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.731497 (E_RNA)
where:
Base-Base interactions energy: -91.448
where: short stacking energy: -53.562
Base-Backbone interact. energy: -0.040
local terms energy: -73.242969
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -17.446
flat angles P-C4'-P energy: -13.257
tors. eta vs tors. theta energy: -14.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -179.616468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.616468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.616468 (E_RNA)
where:
Base-Base interactions energy: -106.173
where: short stacking energy: -53.118
Base-Backbone interact. energy: -0.416
local terms energy: -73.027983
where:
bonds (distance) C4'-P energy: -16.618
bonds (distance) P-C4' energy: -19.543
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -7.393
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: 6, replica: 3
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -106.407681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.407681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.407681 (E_RNA)
where:
Base-Base interactions energy: -48.941
where: short stacking energy: -40.962
Base-Backbone interact. energy: 0.636
local terms energy: -58.102284
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -12.665
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: -9.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -90.837225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.837225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.837225 (E_RNA)
where:
Base-Base interactions energy: -40.639
where: short stacking energy: -36.314
Base-Backbone interact. energy: -0.384
local terms energy: -49.814221
where:
bonds (distance) C4'-P energy: -10.063
bonds (distance) P-C4' energy: -10.461
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -5.032
tors. eta vs tors. theta energy: -8.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -91.562434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.562434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.562434 (E_RNA)
where:
Base-Base interactions energy: -37.232
where: short stacking energy: -12.448
Base-Backbone interact. energy: -0.536
local terms energy: -53.794686
where:
bonds (distance) C4'-P energy: -17.938
bonds (distance) P-C4' energy: -17.882
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -6.785
tors. eta vs tors. theta energy: 3.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -91.396213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.396213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.396213 (E_RNA)
where:
Base-Base interactions energy: -32.048
where: short stacking energy: -32.048
Base-Backbone interact. energy: -0.346
local terms energy: -59.002021
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -2.841
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: 10, replica: 5
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -81.140245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.140245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.140245 (E_RNA)
where:
Base-Base interactions energy: -28.975
where: short stacking energy: -28.975
Base-Backbone interact. energy: 0.016
local terms energy: -52.180922
where:
bonds (distance) C4'-P energy: -16.580
bonds (distance) P-C4' energy: -17.007
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -4.068
tors. eta vs tors. theta energy: 0.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -244.700589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.700589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.700589 (E_RNA)
where:
Base-Base interactions energy: -161.499
where: short stacking energy: -70.665
Base-Backbone interact. energy: -0.103
local terms energy: -83.098453
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -18.452
flat angles C4'-P-C4' energy: -15.460
flat angles P-C4'-P energy: -14.364
tors. eta vs tors. theta energy: -18.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -234.106149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.106149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.106149 (E_RNA)
where:
Base-Base interactions energy: -152.176
where: short stacking energy: -67.047
Base-Backbone interact. energy: -0.123
local terms energy: -81.807289
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -18.498
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -19.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -224.816568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.816568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.816568 (E_RNA)
where:
Base-Base interactions energy: -149.390
where: short stacking energy: -57.797
Base-Backbone interact. energy: -1.063
local terms energy: -74.363064
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -17.858
flat angles P-C4'-P energy: -12.097
tors. eta vs tors. theta energy: -12.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -185.545971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.545971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.545971 (E_RNA)
where:
Base-Base interactions energy: -110.428
where: short stacking energy: -55.240
Base-Backbone interact. energy: -0.346
local terms energy: -74.772553
where:
bonds (distance) C4'-P energy: -17.241
bonds (distance) P-C4' energy: -17.131
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -11.201
tors. eta vs tors. theta energy: -13.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -186.245733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.245733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.245733 (E_RNA)
where:
Base-Base interactions energy: -112.405
where: short stacking energy: -58.597
Base-Backbone interact. energy: -0.893
local terms energy: -72.946913
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -18.130
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -17.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -113.044724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.044724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.044724 (E_RNA)
where:
Base-Base interactions energy: -57.899
where: short stacking energy: -47.322
Base-Backbone interact. energy: -0.443
local terms energy: -54.703081
where:
bonds (distance) C4'-P energy: -18.094
bonds (distance) P-C4' energy: -11.872
flat angles C4'-P-C4' energy: -10.351
flat angles P-C4'-P energy: -7.080
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: 7, replica: 8
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -131.672034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.672034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.672034 (E_RNA)
where:
Base-Base interactions energy: -69.383
where: short stacking energy: -40.350
Base-Backbone interact. energy: -0.174
local terms energy: -62.115859
where:
bonds (distance) C4'-P energy: -12.176
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -4.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -92.302223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.302223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.302223 (E_RNA)
where:
Base-Base interactions energy: -36.858
where: short stacking energy: -38.221
Base-Backbone interact. energy: -0.105
local terms energy: -55.339011
where:
bonds (distance) C4'-P energy: -7.986
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -11.496
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: 5
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -93.942969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.942969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.942969 (E_RNA)
where:
Base-Base interactions energy: -41.148
where: short stacking energy: -22.523
Base-Backbone interact. energy: -0.133
local terms energy: -52.661483
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -13.154
flat angles P-C4'-P energy: -9.485
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: 10, replica: 9
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -89.407267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.407267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.407267 (E_RNA)
where:
Base-Base interactions energy: -31.698
where: short stacking energy: -31.698
Base-Backbone interact. energy: -0.029
local terms energy: -57.679511
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -16.944
flat angles C4'-P-C4' energy: -16.608
flat angles P-C4'-P energy: -7.492
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: 6
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -243.450545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.450545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.450545 (E_RNA)
where:
Base-Base interactions energy: -161.176
where: short stacking energy: -67.505
Base-Backbone interact. energy: -0.216
local terms energy: -82.057661
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -18.072
flat angles P-C4'-P energy: -11.544
tors. eta vs tors. theta energy: -21.288
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: 1
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -239.764386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.764386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.764386 (E_RNA)
where:
Base-Base interactions energy: -150.000
where: short stacking energy: -70.394
Base-Backbone interact. energy: -0.356
local terms energy: -89.408222
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -19.038
flat angles C4'-P-C4' energy: -20.184
flat angles P-C4'-P energy: -12.325
tors. eta vs tors. theta energy: -21.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -216.673816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.673816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.673816 (E_RNA)
where:
Base-Base interactions energy: -142.975
where: short stacking energy: -51.431
Base-Backbone interact. energy: -0.790
local terms energy: -72.909264
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -12.590
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: 2
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -190.430088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.430088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.430088 (E_RNA)
where:
Base-Base interactions energy: -114.685
where: short stacking energy: -41.029
Base-Backbone interact. energy: -0.658
local terms energy: -75.086437
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -13.234
tors. eta vs tors. theta energy: -14.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -185.622060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.622060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.622060 (E_RNA)
where:
Base-Base interactions energy: -113.107
where: short stacking energy: -51.961
Base-Backbone interact. energy: 0.220
local terms energy: -72.735584
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -12.663
tors. eta vs tors. theta energy: -12.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -135.500479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.500479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.500479 (E_RNA)
where:
Base-Base interactions energy: -70.529
where: short stacking energy: -45.774
Base-Backbone interact. energy: 0.308
local terms energy: -65.279270
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -19.994
flat angles C4'-P-C4' energy: -11.798
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -9.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -110.736980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.736980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.736980 (E_RNA)
where:
Base-Base interactions energy: -42.318
where: short stacking energy: -42.318
Base-Backbone interact. energy: -0.010
local terms energy: -68.408461
where:
bonds (distance) C4'-P energy: -16.547
bonds (distance) P-C4' energy: -17.810
flat angles C4'-P-C4' energy: -12.130
flat angles P-C4'-P energy: -12.626
tors. eta vs tors. theta energy: -9.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -95.678286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.678286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.678286 (E_RNA)
where:
Base-Base interactions energy: -40.283
where: short stacking energy: -25.203
Base-Backbone interact. energy: -0.215
local terms energy: -55.180216
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -1.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -83.240916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.240916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.240916 (E_RNA)
where:
Base-Base interactions energy: -28.355
where: short stacking energy: -20.790
Base-Backbone interact. energy: -0.814
local terms energy: -54.071894
where:
bonds (distance) C4'-P energy: -10.119
bonds (distance) P-C4' energy: -17.927
flat angles C4'-P-C4' energy: -17.103
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: 1.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -86.824383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.824383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.824383 (E_RNA)
where:
Base-Base interactions energy: -22.305
where: short stacking energy: -19.925
Base-Backbone interact. energy: -0.120
local terms energy: -64.399285
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -18.070
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -1.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -242.623041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.623041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.623041 (E_RNA)
where:
Base-Base interactions energy: -156.877
where: short stacking energy: -77.300
Base-Backbone interact. energy: -0.390
local terms energy: -85.356564
where:
bonds (distance) C4'-P energy: -18.049
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -18.730
flat angles P-C4'-P energy: -13.860
tors. eta vs tors. theta energy: -18.646
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: 1
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -241.501088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.501088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.501088 (E_RNA)
where:
Base-Base interactions energy: -155.040
where: short stacking energy: -71.502
Base-Backbone interact. energy: -0.215
local terms energy: -86.245244
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -18.284
flat angles C4'-P-C4' energy: -19.021
flat angles P-C4'-P energy: -12.709
tors. eta vs tors. theta energy: -18.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -232.038964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.038964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.038964 (E_RNA)
where:
Base-Base interactions energy: -161.351
where: short stacking energy: -60.297
Base-Backbone interact. energy: 0.354
local terms energy: -71.042238
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -18.825
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -12.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -195.821815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.821815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.821815 (E_RNA)
where:
Base-Base interactions energy: -124.475
where: short stacking energy: -56.960
Base-Backbone interact. energy: -1.417
local terms energy: -69.929960
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -19.502
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -8.214
tors. eta vs tors. theta energy: -14.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -189.136473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.136473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.136473 (E_RNA)
where:
Base-Base interactions energy: -107.356
where: short stacking energy: -52.808
Base-Backbone interact. energy: -1.215
local terms energy: -80.565164
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -19.911
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -12.731
tors. eta vs tors. theta energy: -17.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -134.251989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.251989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.251989 (E_RNA)
where:
Base-Base interactions energy: -77.356
where: short stacking energy: -45.648
Base-Backbone interact. energy: -0.203
local terms energy: -56.693159
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -13.300
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -7.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -92.189657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.189657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.189657 (E_RNA)
where:
Base-Base interactions energy: -31.808
where: short stacking energy: -31.808
Base-Backbone interact. energy: -0.043
local terms energy: -60.337827
where:
bonds (distance) C4'-P energy: -18.206
bonds (distance) P-C4' energy: -16.394
flat angles C4'-P-C4' energy: -18.492
flat angles P-C4'-P energy: -5.134
tors. eta vs tors. theta energy: -2.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -105.161508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.161508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.161508 (E_RNA)
where:
Base-Base interactions energy: -48.090
where: short stacking energy: -33.513
Base-Backbone interact. energy: -0.095
local terms energy: -56.977077
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -10.181
flat angles P-C4'-P energy: -8.145
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: 9, replica: 9
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -91.039353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.039353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.039353 (E_RNA)
where:
Base-Base interactions energy: -35.636
where: short stacking energy: -26.824
Base-Backbone interact. energy: -0.196
local terms energy: -55.208160
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -13.348
flat angles C4'-P-C4' energy: -10.122
flat angles P-C4'-P energy: -12.939
tors. eta vs tors. theta energy: -6.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -80.912667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.912667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.912667 (E_RNA)
where:
Base-Base interactions energy: -30.328
where: short stacking energy: -24.962
Base-Backbone interact. energy: 1.911
local terms energy: -52.495598
where:
bonds (distance) C4'-P energy: -19.336
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -4.201
tors. eta vs tors. theta energy: -1.315
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: 6
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -251.048482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.048482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.048482 (E_RNA)
where:
Base-Base interactions energy: -168.380
where: short stacking energy: -70.305
Base-Backbone interact. energy: -0.017
local terms energy: -82.651891
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -19.033
flat angles C4'-P-C4' energy: -17.964
flat angles P-C4'-P energy: -13.813
tors. eta vs tors. theta energy: -17.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -239.002817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.002817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.002817 (E_RNA)
where:
Base-Base interactions energy: -154.895
where: short stacking energy: -74.506
Base-Backbone interact. energy: -0.297
local terms energy: -83.811527
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -16.180
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -13.713
tors. eta vs tors. theta energy: -21.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -222.999275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.999275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.999275 (E_RNA)
where:
Base-Base interactions energy: -141.654
where: short stacking energy: -57.365
Base-Backbone interact. energy: -0.096
local terms energy: -81.249790
where:
bonds (distance) C4'-P energy: -17.100
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -20.833
flat angles P-C4'-P energy: -13.166
tors. eta vs tors. theta energy: -13.789
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: 55
Temperature: 1.050000
Total energy: -200.750883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.750883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.750883 (E_RNA)
where:
Base-Base interactions energy: -117.621
where: short stacking energy: -58.345
Base-Backbone interact. energy: -0.136
local terms energy: -82.993524
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -20.676
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -20.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -176.318136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.318136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.318136 (E_RNA)
where:
Base-Base interactions energy: -107.978
where: short stacking energy: -45.059
Base-Backbone interact. energy: 0.052
local terms energy: -68.392866
where:
bonds (distance) C4'-P energy: -14.523
bonds (distance) P-C4' energy: -15.792
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -13.968
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: 8
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -140.681428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.681428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.681428 (E_RNA)
where:
Base-Base interactions energy: -73.868
where: short stacking energy: -39.791
Base-Backbone interact. energy: -0.159
local terms energy: -66.654375
where:
bonds (distance) C4'-P energy: -19.299
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -19.819
flat angles P-C4'-P energy: -6.181
tors. eta vs tors. theta energy: -6.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -96.181667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.181667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.181667 (E_RNA)
where:
Base-Base interactions energy: -44.031
where: short stacking energy: -43.680
Base-Backbone interact. energy: -0.259
local terms energy: -51.891946
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -9.374
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -7.022
tors. eta vs tors. theta energy: -7.969
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: 9
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -101.218061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.218061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.218061 (E_RNA)
where:
Base-Base interactions energy: -46.260
where: short stacking energy: -32.723
Base-Backbone interact. energy: -0.418
local terms energy: -54.539174
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -10.705
flat angles P-C4'-P energy: -4.077
tors. eta vs tors. theta energy: -10.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -81.083724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.083724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.083724 (E_RNA)
where:
Base-Base interactions energy: -22.778
where: short stacking energy: -20.898
Base-Backbone interact. energy: -0.432
local terms energy: -57.873468
where:
bonds (distance) C4'-P energy: -14.904
bonds (distance) P-C4' energy: -17.406
flat angles C4'-P-C4' energy: -8.925
flat angles P-C4'-P energy: -9.878
tors. eta vs tors. theta energy: -6.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -85.288373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.288373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.288373 (E_RNA)
where:
Base-Base interactions energy: -32.887
where: short stacking energy: -31.803
Base-Backbone interact. energy: -0.234
local terms energy: -52.167991
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -20.355
flat angles C4'-P-C4' energy: -6.449
flat angles P-C4'-P energy: -7.876
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: 1, replica: 6
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -256.629084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.629084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.629084 (E_RNA)
where:
Base-Base interactions energy: -169.627
where: short stacking energy: -72.773
Base-Backbone interact. energy: -0.092
local terms energy: -86.910561
where:
bonds (distance) C4'-P energy: -18.713
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -13.817
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: 2, replica: 1
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -237.690384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.690384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.690384 (E_RNA)
where:
Base-Base interactions energy: -155.759
where: short stacking energy: -71.340
Base-Backbone interact. energy: -0.188
local terms energy: -81.743027
where:
bonds (distance) C4'-P energy: -17.902
bonds (distance) P-C4' energy: -16.817
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -14.607
tors. eta vs tors. theta energy: -16.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -231.869661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.869661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.869661 (E_RNA)
where:
Base-Base interactions energy: -154.734
where: short stacking energy: -51.131
Base-Backbone interact. energy: -0.555
local terms energy: -76.580733
where:
bonds (distance) C4'-P energy: -17.990
bonds (distance) P-C4' energy: -19.754
flat angles C4'-P-C4' energy: -10.424
flat angles P-C4'-P energy: -12.876
tors. eta vs tors. theta energy: -15.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -197.488456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.488456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.488456 (E_RNA)
where:
Base-Base interactions energy: -118.560
where: short stacking energy: -54.468
Base-Backbone interact. energy: -1.204
local terms energy: -77.724162
where:
bonds (distance) C4'-P energy: -18.057
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -17.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -182.330822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.330822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.330822 (E_RNA)
where:
Base-Base interactions energy: -107.381
where: short stacking energy: -48.978
Base-Backbone interact. energy: -0.437
local terms energy: -74.512181
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -19.982
flat angles C4'-P-C4' energy: -20.932
flat angles P-C4'-P energy: -5.268
tors. eta vs tors. theta energy: -12.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -176.896893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.896893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.896893 (E_RNA)
where:
Base-Base interactions energy: -112.937
where: short stacking energy: -46.642
Base-Backbone interact. energy: -0.980
local terms energy: -62.979506
where:
bonds (distance) C4'-P energy: -11.314
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -11.312
flat angles P-C4'-P energy: -13.518
tors. eta vs tors. theta energy: -13.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -100.785192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.785192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.785192 (E_RNA)
where:
Base-Base interactions energy: -42.377
where: short stacking energy: -38.569
Base-Backbone interact. energy: -1.705
local terms energy: -56.703506
where:
bonds (distance) C4'-P energy: -13.675
bonds (distance) P-C4' energy: -12.565
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -10.011
tors. eta vs tors. theta energy: -7.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -112.554878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.554878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.554878 (E_RNA)
where:
Base-Base interactions energy: -53.838
where: short stacking energy: -28.791
Base-Backbone interact. energy: -0.096
local terms energy: -58.620980
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -11.434
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -2.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -86.537126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.537126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.537126 (E_RNA)
where:
Base-Base interactions energy: -28.201
where: short stacking energy: -23.711
Base-Backbone interact. energy: -0.141
local terms energy: -58.195586
where:
bonds (distance) C4'-P energy: -18.850
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -7.532
tors. eta vs tors. theta energy: -2.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -78.089815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.089815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.089815 (E_RNA)
where:
Base-Base interactions energy: -28.453
where: short stacking energy: -11.845
Base-Backbone interact. energy: -0.474
local terms energy: -49.162125
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -19.221
flat angles C4'-P-C4' energy: -9.714
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: 5.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -249.262171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.262171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.262171 (E_RNA)
where:
Base-Base interactions energy: -174.653
where: short stacking energy: -69.894
Base-Backbone interact. energy: -0.443
local terms energy: -74.166597
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -15.530
flat angles C4'-P-C4' energy: -17.037
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -16.578
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: 2, replica: 10
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -222.970005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.970005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.970005 (E_RNA)
where:
Base-Base interactions energy: -142.943
where: short stacking energy: -65.218
Base-Backbone interact. energy: -0.140
local terms energy: -79.886787
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -17.501
flat angles C4'-P-C4' energy: -19.997
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -17.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -233.546799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.546799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.546799 (E_RNA)
where:
Base-Base interactions energy: -159.724
where: short stacking energy: -70.732
Base-Backbone interact. energy: -0.226
local terms energy: -73.596824
where:
bonds (distance) C4'-P energy: -16.401
bonds (distance) P-C4' energy: -11.049
flat angles C4'-P-C4' energy: -16.729
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -19.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -204.498665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.498665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.498665 (E_RNA)
where:
Base-Base interactions energy: -122.427
where: short stacking energy: -58.898
Base-Backbone interact. energy: -0.083
local terms energy: -81.988797
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -17.117
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -14.779
tors. eta vs tors. theta energy: -17.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -189.290453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.290453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.290453 (E_RNA)
where:
Base-Base interactions energy: -112.466
where: short stacking energy: -52.540
Base-Backbone interact. energy: -0.413
local terms energy: -76.410688
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -14.803
tors. eta vs tors. theta energy: -16.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -170.432269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.432269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.432269 (E_RNA)
where:
Base-Base interactions energy: -94.871
where: short stacking energy: -42.730
Base-Backbone interact. energy: -0.072
local terms energy: -75.489317
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -17.467
flat angles P-C4'-P energy: -14.735
tors. eta vs tors. theta energy: -11.447
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: 7, replica: 5
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -116.039908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.039908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.039908 (E_RNA)
where:
Base-Base interactions energy: -57.120
where: short stacking energy: -39.961
Base-Backbone interact. energy: -0.706
local terms energy: -58.214252
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -19.666
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -9.828
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: 8, replica: 9
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -99.457154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.457154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.457154 (E_RNA)
where:
Base-Base interactions energy: -42.769
where: short stacking energy: -37.480
Base-Backbone interact. energy: -0.769
local terms energy: -55.919178
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -11.851
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -0.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -91.087738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.087738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.087738 (E_RNA)
where:
Base-Base interactions energy: -29.041
where: short stacking energy: -27.303
Base-Backbone interact. energy: -0.165
local terms energy: -61.881072
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -16.796
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -9.252
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: 3
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -80.853682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.853682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.853682 (E_RNA)
where:
Base-Base interactions energy: -25.049
where: short stacking energy: -24.302
Base-Backbone interact. energy: 1.161
local terms energy: -56.965619
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -15.912
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -2.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -255.855054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.855054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.855054 (E_RNA)
where:
Base-Base interactions energy: -163.685
where: short stacking energy: -80.311
Base-Backbone interact. energy: -0.045
local terms energy: -92.125086
where:
bonds (distance) C4'-P energy: -13.158
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -20.260
flat angles P-C4'-P energy: -14.939
tors. eta vs tors. theta energy: -26.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -226.750753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.750753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.750753 (E_RNA)
where:
Base-Base interactions energy: -150.673
where: short stacking energy: -52.262
Base-Backbone interact. energy: 0.011
local terms energy: -76.089517
where:
bonds (distance) C4'-P energy: -19.104
bonds (distance) P-C4' energy: -19.593
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -12.923
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: 8
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -216.279811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.279811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.279811 (E_RNA)
where:
Base-Base interactions energy: -128.966
where: short stacking energy: -67.003
Base-Backbone interact. energy: -0.013
local terms energy: -87.300842
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -17.260
flat angles C4'-P-C4' energy: -21.762
flat angles P-C4'-P energy: -13.373
tors. eta vs tors. theta energy: -19.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -226.010767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.010767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.010767 (E_RNA)
where:
Base-Base interactions energy: -146.777
where: short stacking energy: -65.257
Base-Backbone interact. energy: 0.018
local terms energy: -79.252063
where:
bonds (distance) C4'-P energy: -17.440
bonds (distance) P-C4' energy: -13.799
flat angles C4'-P-C4' energy: -18.262
flat angles P-C4'-P energy: -12.764
tors. eta vs tors. theta energy: -16.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -185.114356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.114356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.114356 (E_RNA)
where:
Base-Base interactions energy: -111.737
where: short stacking energy: -49.277
Base-Backbone interact. energy: -0.227
local terms energy: -73.150341
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -17.098
flat angles C4'-P-C4' energy: -20.204
flat angles P-C4'-P energy: -2.979
tors. eta vs tors. theta energy: -15.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -168.060212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.060212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.060212 (E_RNA)
where:
Base-Base interactions energy: -98.660
where: short stacking energy: -39.882
Base-Backbone interact. energy: -0.072
local terms energy: -69.328467
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -13.896
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -14.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -126.297397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.297397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.297397 (E_RNA)
where:
Base-Base interactions energy: -58.922
where: short stacking energy: -43.131
Base-Backbone interact. energy: -0.335
local terms energy: -67.039798
where:
bonds (distance) C4'-P energy: -10.958
bonds (distance) P-C4' energy: -18.154
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -9.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -95.938156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.938156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.938156 (E_RNA)
where:
Base-Base interactions energy: -26.477
where: short stacking energy: -25.379
Base-Backbone interact. energy: -0.006
local terms energy: -69.454920
where:
bonds (distance) C4'-P energy: -17.301
bonds (distance) P-C4' energy: -20.778
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -5.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -83.827587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.827587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.827587 (E_RNA)
where:
Base-Base interactions energy: -29.118
where: short stacking energy: -26.358
Base-Backbone interact. energy: -0.134
local terms energy: -54.575512
where:
bonds (distance) C4'-P energy: -15.587
bonds (distance) P-C4' energy: -18.249
flat angles C4'-P-C4' energy: -11.330
flat angles P-C4'-P energy: -7.468
tors. eta vs tors. theta energy: -1.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -85.198082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.198082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.198082 (E_RNA)
where:
Base-Base interactions energy: -35.503
where: short stacking energy: -25.146
Base-Backbone interact. energy: 0.159
local terms energy: -49.854221
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -9.633
flat angles P-C4'-P energy: -5.411
tors. eta vs tors. theta energy: -5.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -258.448947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.448947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.448947 (E_RNA)
where:
Base-Base interactions energy: -169.041
where: short stacking energy: -71.491
Base-Backbone interact. energy: -0.136
local terms energy: -89.271802
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -20.683
flat angles P-C4'-P energy: -12.957
tors. eta vs tors. theta energy: -21.733
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: 10
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -219.088582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.088582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.088582 (E_RNA)
where:
Base-Base interactions energy: -144.262
where: short stacking energy: -52.702
Base-Backbone interact. energy: 0.205
local terms energy: -75.031136
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -19.322
flat angles C4'-P-C4' energy: -18.197
flat angles P-C4'-P energy: -12.362
tors. eta vs tors. theta energy: -12.651
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: 8
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -208.179694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.179694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.179694 (E_RNA)
where:
Base-Base interactions energy: -126.067
where: short stacking energy: -66.583
Base-Backbone interact. energy: -0.131
local terms energy: -81.982050
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -16.279
flat angles C4'-P-C4' energy: -19.099
flat angles P-C4'-P energy: -16.324
tors. eta vs tors. theta energy: -17.770
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: 4, replica: 1
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -234.094268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.094268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.094268 (E_RNA)
where:
Base-Base interactions energy: -149.450
where: short stacking energy: -68.943
Base-Backbone interact. energy: -0.169
local terms energy: -84.475241
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -18.791
flat angles P-C4'-P energy: -11.968
tors. eta vs tors. theta energy: -20.827
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: 2
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -187.165614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.165614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.165614 (E_RNA)
where:
Base-Base interactions energy: -115.358
where: short stacking energy: -57.980
Base-Backbone interact. energy: -0.967
local terms energy: -70.841193
where:
bonds (distance) C4'-P energy: -14.141
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -6.982
tors. eta vs tors. theta energy: -18.856
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: 6, replica: 5
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -152.493242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.493242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.493242 (E_RNA)
where:
Base-Base interactions energy: -81.356
where: short stacking energy: -51.793
Base-Backbone interact. energy: -0.122
local terms energy: -71.014628
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -11.523
flat angles C4'-P-C4' energy: -16.985
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -15.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -128.811191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.811191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.811191 (E_RNA)
where:
Base-Base interactions energy: -62.553
where: short stacking energy: -24.972
Base-Backbone interact. energy: -0.796
local terms energy: -65.462014
where:
bonds (distance) C4'-P energy: -15.688
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -17.915
flat angles P-C4'-P energy: -11.194
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: 8, replica: 3
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -92.920123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.920123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.920123 (E_RNA)
where:
Base-Base interactions energy: -32.162
where: short stacking energy: -32.162
Base-Backbone interact. energy: -0.076
local terms energy: -60.682274
where:
bonds (distance) C4'-P energy: -14.601
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -15.780
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: -7.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -104.477367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.477367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.477367 (E_RNA)
where:
Base-Base interactions energy: -42.615
where: short stacking energy: -24.721
Base-Backbone interact. energy: -0.236
local terms energy: -61.626193
where:
bonds (distance) C4'-P energy: -17.112
bonds (distance) P-C4' energy: -16.453
flat angles C4'-P-C4' energy: -17.907
flat angles P-C4'-P energy: -9.364
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: 10, replica: 4
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -87.200888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.200888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.200888 (E_RNA)
where:
Base-Base interactions energy: -30.929
where: short stacking energy: -20.166
Base-Backbone interact. energy: -0.672
local terms energy: -55.599278
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -8.014
flat angles P-C4'-P energy: -11.747
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: 1, replica: 6
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -269.519462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.519462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.519462 (E_RNA)
where:
Base-Base interactions energy: -179.838
where: short stacking energy: -77.634
Base-Backbone interact. energy: -2.330
local terms energy: -87.351889
where:
bonds (distance) C4'-P energy: -14.816
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -16.538
tors. eta vs tors. theta energy: -22.956
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: 2, replica: 10
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -239.448793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.448793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.448793 (E_RNA)
where:
Base-Base interactions energy: -159.128
where: short stacking energy: -77.629
Base-Backbone interact. energy: -0.237
local terms energy: -80.083768
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -19.756
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -20.984
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: 3, replica: 1
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -233.488905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.488905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.488905 (E_RNA)
where:
Base-Base interactions energy: -153.415
where: short stacking energy: -64.730
Base-Backbone interact. energy: -0.239
local terms energy: -79.835069
where:
bonds (distance) C4'-P energy: -16.474
bonds (distance) P-C4' energy: -16.134
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -12.720
tors. eta vs tors. theta energy: -20.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -196.044666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.044666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.044666 (E_RNA)
where:
Base-Base interactions energy: -119.287
where: short stacking energy: -58.489
Base-Backbone interact. energy: -0.139
local terms energy: -76.618068
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -12.667
tors. eta vs tors. theta energy: -18.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -165.631182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.631182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.631182 (E_RNA)
where:
Base-Base interactions energy: -105.453
where: short stacking energy: -43.065
Base-Backbone interact. energy: 0.677
local terms energy: -60.855152
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -14.218
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -5.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -183.004751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.004751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.004751 (E_RNA)
where:
Base-Base interactions energy: -103.252
where: short stacking energy: -53.839
Base-Backbone interact. energy: -0.096
local terms energy: -79.657155
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -18.171
flat angles P-C4'-P energy: -12.863
tors. eta vs tors. theta energy: -16.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -96.553627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.553627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.553627 (E_RNA)
where:
Base-Base interactions energy: -32.654
where: short stacking energy: -30.398
Base-Backbone interact. energy: -0.087
local terms energy: -63.812105
where:
bonds (distance) C4'-P energy: -20.267
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: -3.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -85.409693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.409693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.409693 (E_RNA)
where:
Base-Base interactions energy: -34.671
where: short stacking energy: -34.671
Base-Backbone interact. energy: -0.589
local terms energy: -50.149823
where:
bonds (distance) C4'-P energy: -11.433
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -7.251
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: 4
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -83.848358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.848358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.848358 (E_RNA)
where:
Base-Base interactions energy: -38.922
where: short stacking energy: -30.534
Base-Backbone interact. energy: -0.393
local terms energy: -44.533487
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -12.819
flat angles C4'-P-C4' energy: -10.813
flat angles P-C4'-P energy: -5.530
tors. eta vs tors. theta energy: -1.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -80.009381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.009381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.009381 (E_RNA)
where:
Base-Base interactions energy: -31.851
where: short stacking energy: -27.909
Base-Backbone interact. energy: -0.139
local terms energy: -48.019662
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -12.226
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: 0.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -258.911341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.911341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.911341 (E_RNA)
where:
Base-Base interactions energy: -175.297
where: short stacking energy: -80.436
Base-Backbone interact. energy: -0.020
local terms energy: -83.594004
where:
bonds (distance) C4'-P energy: -17.165
bonds (distance) P-C4' energy: -16.556
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -23.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -234.526106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.526106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.526106 (E_RNA)
where:
Base-Base interactions energy: -157.315
where: short stacking energy: -70.794
Base-Backbone interact. energy: -0.124
local terms energy: -77.087632
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -16.524
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -17.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -232.503305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.503305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.503305 (E_RNA)
where:
Base-Base interactions energy: -145.460
where: short stacking energy: -63.478
Base-Backbone interact. energy: -0.320
local terms energy: -86.723477
where:
bonds (distance) C4'-P energy: -17.725
bonds (distance) P-C4' energy: -19.084
flat angles C4'-P-C4' energy: -18.094
flat angles P-C4'-P energy: -15.206
tors. eta vs tors. theta energy: -16.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -200.841377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.841377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.841377 (E_RNA)
where:
Base-Base interactions energy: -126.441
where: short stacking energy: -62.435
Base-Backbone interact. energy: -0.069
local terms energy: -74.331236
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -11.857
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -20.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -188.102115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.102115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.102115 (E_RNA)
where:
Base-Base interactions energy: -110.294
where: short stacking energy: -59.703
Base-Backbone interact. energy: 0.059
local terms energy: -77.867276
where:
bonds (distance) C4'-P energy: -16.347
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -18.943
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -13.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -166.349960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.349960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.349960 (E_RNA)
where:
Base-Base interactions energy: -93.979
where: short stacking energy: -46.911
Base-Backbone interact. energy: -0.684
local terms energy: -71.687125
where:
bonds (distance) C4'-P energy: -17.982
bonds (distance) P-C4' energy: -18.442
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -5.193
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: 7, replica: 3
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -119.174774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.174774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.174774 (E_RNA)
where:
Base-Base interactions energy: -53.903
where: short stacking energy: -46.992
Base-Backbone interact. energy: 1.300
local terms energy: -66.571885
where:
bonds (distance) C4'-P energy: -17.398
bonds (distance) P-C4' energy: -12.705
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -7.766
tors. eta vs tors. theta energy: -13.895
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: 4
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -104.306422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.306422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.306422 (E_RNA)
where:
Base-Base interactions energy: -45.710
where: short stacking energy: -45.710
Base-Backbone interact. energy: -0.412
local terms energy: -58.183858
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -12.761
tors. eta vs tors. theta energy: -4.421
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: 7
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -80.592782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.592782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.592782 (E_RNA)
where:
Base-Base interactions energy: -29.529
where: short stacking energy: -16.684
Base-Backbone interact. energy: -0.311
local terms energy: -50.752955
where:
bonds (distance) C4'-P energy: -12.067
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -13.275
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: 0.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -76.203794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.203794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.203794 (E_RNA)
where:
Base-Base interactions energy: -21.562
where: short stacking energy: -21.560
Base-Backbone interact. energy: -0.143
local terms energy: -54.498965
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -17.369
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: 3.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -260.351164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.351164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.351164 (E_RNA)
where:
Base-Base interactions energy: -169.526
where: short stacking energy: -80.101
Base-Backbone interact. energy: 0.236
local terms energy: -91.061569
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -21.031
flat angles P-C4'-P energy: -14.305
tors. eta vs tors. theta energy: -26.120
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: 1
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -240.197443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.197443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.197443 (E_RNA)
where:
Base-Base interactions energy: -161.846
where: short stacking energy: -81.169
Base-Backbone interact. energy: -0.142
local terms energy: -78.209523
where:
bonds (distance) C4'-P energy: -16.335
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: -21.036
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: 10
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -239.480740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.480740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.480740 (E_RNA)
where:
Base-Base interactions energy: -166.205
where: short stacking energy: -69.858
Base-Backbone interact. energy: -0.706
local terms energy: -72.569616
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -14.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -208.005808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.005808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.005808 (E_RNA)
where:
Base-Base interactions energy: -127.691
where: short stacking energy: -61.582
Base-Backbone interact. energy: -0.006
local terms energy: -80.308413
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -17.593
flat angles C4'-P-C4' energy: -18.591
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -17.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -177.592570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.592570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.592570 (E_RNA)
where:
Base-Base interactions energy: -109.869
where: short stacking energy: -48.918
Base-Backbone interact. energy: -0.041
local terms energy: -67.683110
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -6.168
tors. eta vs tors. theta energy: -14.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -160.286301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.286301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.286301 (E_RNA)
where:
Base-Base interactions energy: -84.031
where: short stacking energy: -57.617
Base-Backbone interact. energy: 0.383
local terms energy: -76.638733
where:
bonds (distance) C4'-P energy: -11.242
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -15.608
flat angles P-C4'-P energy: -12.136
tors. eta vs tors. theta energy: -19.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -94.633836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.633836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.633836 (E_RNA)
where:
Base-Base interactions energy: -41.027
where: short stacking energy: -34.753
Base-Backbone interact. energy: -0.196
local terms energy: -53.411304
where:
bonds (distance) C4'-P energy: -15.920
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -10.349
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -1.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -92.641365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.641365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.641365 (E_RNA)
where:
Base-Base interactions energy: -37.099
where: short stacking energy: -36.403
Base-Backbone interact. energy: -0.203
local terms energy: -55.338831
where:
bonds (distance) C4'-P energy: -9.598
bonds (distance) P-C4' energy: -18.769
flat angles C4'-P-C4' energy: -9.920
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -6.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -79.811837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.811837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.811837 (E_RNA)
where:
Base-Base interactions energy: -23.436
where: short stacking energy: -20.023
Base-Backbone interact. energy: 2.472
local terms energy: -58.847904
where:
bonds (distance) C4'-P energy: -13.177
bonds (distance) P-C4' energy: -14.883
flat angles C4'-P-C4' energy: -17.796
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: -2.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -77.815344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.815344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.815344 (E_RNA)
where:
Base-Base interactions energy: -31.225
where: short stacking energy: -21.444
Base-Backbone interact. energy: 0.525
local terms energy: -47.115705
where:
bonds (distance) C4'-P energy: -18.412
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -12.724
flat angles P-C4'-P energy: -7.395
tors. eta vs tors. theta energy: 3.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -261.285578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.285578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.285578 (E_RNA)
where:
Base-Base interactions energy: -170.905
where: short stacking energy: -78.804
Base-Backbone interact. energy: -1.030
local terms energy: -89.350871
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -17.655
flat angles P-C4'-P energy: -15.182
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: 2, replica: 1
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -239.624747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.624747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.624747 (E_RNA)
where:
Base-Base interactions energy: -157.155
where: short stacking energy: -74.336
Base-Backbone interact. energy: 0.450
local terms energy: -82.920517
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -14.155
tors. eta vs tors. theta energy: -22.984
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: 3, replica: 10
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -235.290542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.290542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.290542 (E_RNA)
where:
Base-Base interactions energy: -149.597
where: short stacking energy: -73.192
Base-Backbone interact. energy: -0.358
local terms energy: -85.335834
where:
bonds (distance) C4'-P energy: -18.706
bonds (distance) P-C4' energy: -17.360
flat angles C4'-P-C4' energy: -19.201
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -19.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -207.647308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.647308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.647308 (E_RNA)
where:
Base-Base interactions energy: -126.668
where: short stacking energy: -66.412
Base-Backbone interact. energy: -0.258
local terms energy: -80.721009
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -15.640
flat angles C4'-P-C4' energy: -18.092
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: -20.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -152.353949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.353949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.353949 (E_RNA)
where:
Base-Base interactions energy: -90.002
where: short stacking energy: -49.433
Base-Backbone interact. energy: -0.824
local terms energy: -61.527612
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -18.696
flat angles C4'-P-C4' energy: -18.963
flat angles P-C4'-P energy: -3.848
tors. eta vs tors. theta energy: -6.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -168.937099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.937099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.937099 (E_RNA)
where:
Base-Base interactions energy: -92.133
where: short stacking energy: -52.102
Base-Backbone interact. energy: -0.014
local terms energy: -76.789919
where:
bonds (distance) C4'-P energy: -12.829
bonds (distance) P-C4' energy: -19.242
flat angles C4'-P-C4' energy: -15.291
flat angles P-C4'-P energy: -14.089
tors. eta vs tors. theta energy: -15.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -110.062069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.062069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.062069 (E_RNA)
where:
Base-Base interactions energy: -41.922
where: short stacking energy: -41.055
Base-Backbone interact. energy: -0.107
local terms energy: -68.033240
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -19.426
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -8.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -84.482717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.482717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.482717 (E_RNA)
where:
Base-Base interactions energy: -25.021
where: short stacking energy: -23.188
Base-Backbone interact. energy: -0.430
local terms energy: -59.032021
where:
bonds (distance) C4'-P energy: -14.903
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -8.067
tors. eta vs tors. theta energy: -6.814
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: 7
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -90.113914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.113914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.113914 (E_RNA)
where:
Base-Base interactions energy: -33.680
where: short stacking energy: -24.921
Base-Backbone interact. energy: -0.291
local terms energy: -56.143210
where:
bonds (distance) C4'-P energy: -17.668
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: -2.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -81.806469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.806469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.806469 (E_RNA)
where:
Base-Base interactions energy: -23.794
where: short stacking energy: -22.490
Base-Backbone interact. energy: -0.444
local terms energy: -57.567830
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -19.284
flat angles C4'-P-C4' energy: -7.636
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: -3.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -253.853685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.853685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.853685 (E_RNA)
where:
Base-Base interactions energy: -172.051
where: short stacking energy: -78.015
Base-Backbone interact. energy: -0.229
local terms energy: -81.573334
where:
bonds (distance) C4'-P energy: -17.404
bonds (distance) P-C4' energy: -15.334
flat angles C4'-P-C4' energy: -16.073
flat angles P-C4'-P energy: -11.869
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: 2, replica: 1
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -236.494703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.494703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.494703 (E_RNA)
where:
Base-Base interactions energy: -163.429
where: short stacking energy: -59.883
Base-Backbone interact. energy: -0.345
local terms energy: -72.720269
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -18.158
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -7.616
tors. eta vs tors. theta energy: -15.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -227.278463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.278463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.278463 (E_RNA)
where:
Base-Base interactions energy: -143.817
where: short stacking energy: -66.476
Base-Backbone interact. energy: 2.124
local terms energy: -85.586168
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -17.963
flat angles C4'-P-C4' energy: -18.136
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: -21.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -209.548331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.548331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.548331 (E_RNA)
where:
Base-Base interactions energy: -133.819
where: short stacking energy: -67.131
Base-Backbone interact. energy: -0.014
local terms energy: -75.715332
where:
bonds (distance) C4'-P energy: -16.670
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -16.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -168.550333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.550333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.550333 (E_RNA)
where:
Base-Base interactions energy: -102.021
where: short stacking energy: -56.171
Base-Backbone interact. energy: -0.093
local terms energy: -66.436004
where:
bonds (distance) C4'-P energy: -15.905
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -11.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -149.914337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.914337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.914337 (E_RNA)
where:
Base-Base interactions energy: -86.372
where: short stacking energy: -50.834
Base-Backbone interact. energy: -0.902
local terms energy: -62.640275
where:
bonds (distance) C4'-P energy: -11.225
bonds (distance) P-C4' energy: -12.103
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -14.268
tors. eta vs tors. theta energy: -10.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -112.241881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.241881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.241881 (E_RNA)
where:
Base-Base interactions energy: -50.586
where: short stacking energy: -42.848
Base-Backbone interact. energy: -0.273
local terms energy: -61.382821
where:
bonds (distance) C4'-P energy: -17.436
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -7.477
tors. eta vs tors. theta energy: -7.677
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: 3
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -95.255284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.255284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.255284 (E_RNA)
where:
Base-Base interactions energy: -34.672
where: short stacking energy: -34.672
Base-Backbone interact. energy: 0.135
local terms energy: -60.717444
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -11.974
flat angles P-C4'-P energy: -11.096
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: 9, replica: 9
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -89.036962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.036962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.036962 (E_RNA)
where:
Base-Base interactions energy: -31.825
where: short stacking energy: -17.915
Base-Backbone interact. energy: 0.300
local terms energy: -57.511362
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -19.497
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -12.529
tors. eta vs tors. theta energy: 2.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -89.103576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.103576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.103576 (E_RNA)
where:
Base-Base interactions energy: -33.863
where: short stacking energy: -33.628
Base-Backbone interact. energy: -0.078
local terms energy: -55.163274
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -17.192
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -3.729
tors. eta vs tors. theta energy: -8.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -263.046938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.046938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.046938 (E_RNA)
where:
Base-Base interactions energy: -177.791
where: short stacking energy: -71.480
Base-Backbone interact. energy: -0.019
local terms energy: -85.236947
where:
bonds (distance) C4'-P energy: -17.995
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -13.447
tors. eta vs tors. theta energy: -19.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -228.477622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.477622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.477622 (E_RNA)
where:
Base-Base interactions energy: -149.056
where: short stacking energy: -59.038
Base-Backbone interact. energy: 0.965
local terms energy: -80.386131
where:
bonds (distance) C4'-P energy: -19.581
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -16.536
flat angles P-C4'-P energy: -15.021
tors. eta vs tors. theta energy: -13.177
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: 3, replica: 10
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -228.563688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.563688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.563688 (E_RNA)
where:
Base-Base interactions energy: -148.593
where: short stacking energy: -72.057
Base-Backbone interact. energy: -0.130
local terms energy: -79.840352
where:
bonds (distance) C4'-P energy: -16.905
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -20.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -203.140203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.140203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.140203 (E_RNA)
where:
Base-Base interactions energy: -122.757
where: short stacking energy: -61.055
Base-Backbone interact. energy: -0.868
local terms energy: -79.515422
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -17.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -162.883572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.883572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.883572 (E_RNA)
where:
Base-Base interactions energy: -90.651
where: short stacking energy: -56.413
Base-Backbone interact. energy: -0.114
local terms energy: -72.118270
where:
bonds (distance) C4'-P energy: -16.902
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -17.259
flat angles P-C4'-P energy: -8.656
tors. eta vs tors. theta energy: -12.712
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: 4
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -112.073749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.073749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.073749 (E_RNA)
where:
Base-Base interactions energy: -43.616
where: short stacking energy: -29.585
Base-Backbone interact. energy: 1.538
local terms energy: -69.995451
where:
bonds (distance) C4'-P energy: -19.009
bonds (distance) P-C4' energy: -16.781
flat angles C4'-P-C4' energy: -17.907
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: -4.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -96.784912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.784912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.784912 (E_RNA)
where:
Base-Base interactions energy: -46.251
where: short stacking energy: -22.976
Base-Backbone interact. energy: 0.397
local terms energy: -50.930794
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: 2.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -94.552976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.552976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.552976 (E_RNA)
where:
Base-Base interactions energy: -40.066
where: short stacking energy: -27.040
Base-Backbone interact. energy: -0.361
local terms energy: -54.125755
where:
bonds (distance) C4'-P energy: -14.463
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -11.985
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: 9, replica: 3
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -86.187237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.187237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.187237 (E_RNA)
where:
Base-Base interactions energy: -26.603
where: short stacking energy: -25.732
Base-Backbone interact. energy: -0.256
local terms energy: -59.328758
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -18.467
flat angles C4'-P-C4' energy: -10.376
flat angles P-C4'-P energy: -11.840
tors. eta vs tors. theta energy: -4.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -90.525470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.525470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.525470 (E_RNA)
where:
Base-Base interactions energy: -34.894
where: short stacking energy: -19.787
Base-Backbone interact. energy: -0.846
local terms energy: -54.785788
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -17.830
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -10.004
tors. eta vs tors. theta energy: 3.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -252.014774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.014774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.014774 (E_RNA)
where:
Base-Base interactions energy: -159.419
where: short stacking energy: -74.900
Base-Backbone interact. energy: -0.104
local terms energy: -92.491979
where:
bonds (distance) C4'-P energy: -18.028
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -21.324
flat angles P-C4'-P energy: -13.107
tors. eta vs tors. theta energy: -23.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -237.702290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.702290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.702290 (E_RNA)
where:
Base-Base interactions energy: -149.439
where: short stacking energy: -68.440
Base-Backbone interact. energy: -0.110
local terms energy: -88.154246
where:
bonds (distance) C4'-P energy: -15.973
bonds (distance) P-C4' energy: -17.880
flat angles C4'-P-C4' energy: -20.166
flat angles P-C4'-P energy: -12.803
tors. eta vs tors. theta energy: -21.332
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: 10
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -229.571431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.571431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.571431 (E_RNA)
where:
Base-Base interactions energy: -144.320
where: short stacking energy: -62.742
Base-Backbone interact. energy: 0.160
local terms energy: -85.411210
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -18.533
flat angles C4'-P-C4' energy: -19.975
flat angles P-C4'-P energy: -13.064
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: 4, replica: 8
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -210.049745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.049745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.049745 (E_RNA)
where:
Base-Base interactions energy: -126.377
where: short stacking energy: -71.678
Base-Backbone interact. energy: 0.067
local terms energy: -83.739449
where:
bonds (distance) C4'-P energy: -16.220
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -16.970
flat angles P-C4'-P energy: -14.538
tors. eta vs tors. theta energy: -20.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -155.737549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.737549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.737549 (E_RNA)
where:
Base-Base interactions energy: -91.482
where: short stacking energy: -44.139
Base-Backbone interact. energy: -0.014
local terms energy: -64.241689
where:
bonds (distance) C4'-P energy: -16.513
bonds (distance) P-C4' energy: -15.066
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -3.943
tors. eta vs tors. theta energy: -13.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -99.840425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.840425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.840425 (E_RNA)
where:
Base-Base interactions energy: -33.403
where: short stacking energy: -25.384
Base-Backbone interact. energy: -0.069
local terms energy: -66.368882
where:
bonds (distance) C4'-P energy: -18.801
bonds (distance) P-C4' energy: -20.032
flat angles C4'-P-C4' energy: -16.892
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: 0.368
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: 7, replica: 9
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -111.829362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.829362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.829362 (E_RNA)
where:
Base-Base interactions energy: -50.206
where: short stacking energy: -29.005
Base-Backbone interact. energy: -0.839
local terms energy: -60.784030
where:
bonds (distance) C4'-P energy: -13.023
bonds (distance) P-C4' energy: -20.627
flat angles C4'-P-C4' energy: -10.370
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -6.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -86.740621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.740621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.740621 (E_RNA)
where:
Base-Base interactions energy: -39.709
where: short stacking energy: -39.709
Base-Backbone interact. energy: -0.072
local terms energy: -46.960274
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -10.858
flat angles C4'-P-C4' energy: -12.493
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: -0.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -80.517584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.517584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.517584 (E_RNA)
where:
Base-Base interactions energy: -31.456
where: short stacking energy: -27.668
Base-Backbone interact. energy: 0.729
local terms energy: -49.790996
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -12.112
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -8.870
tors. eta vs tors. theta energy: 0.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -80.249627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.249627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.249627 (E_RNA)
where:
Base-Base interactions energy: -29.547
where: short stacking energy: -25.266
Base-Backbone interact. energy: -0.158
local terms energy: -50.545500
where:
bonds (distance) C4'-P energy: -11.171
bonds (distance) P-C4' energy: -17.174
flat angles C4'-P-C4' energy: -9.260
flat angles P-C4'-P energy: -5.447
tors. eta vs tors. theta energy: -7.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -261.419932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.419932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.419932 (E_RNA)
where:
Base-Base interactions energy: -171.678
where: short stacking energy: -80.578
Base-Backbone interact. energy: 1.815
local terms energy: -91.557761
where:
bonds (distance) C4'-P energy: -19.166
bonds (distance) P-C4' energy: -18.780
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: -13.927
tors. eta vs tors. theta energy: -23.982
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: 10
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -241.292513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.292513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.292513 (E_RNA)
where:
Base-Base interactions energy: -152.988
where: short stacking energy: -70.492
Base-Backbone interact. energy: -0.121
local terms energy: -88.184098
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -18.915
flat angles C4'-P-C4' energy: -17.888
flat angles P-C4'-P energy: -12.722
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: 3, replica: 1
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -229.492379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.492379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.492379 (E_RNA)
where:
Base-Base interactions energy: -156.833
where: short stacking energy: -66.980
Base-Backbone interact. energy: -0.117
local terms energy: -72.542467
where:
bonds (distance) C4'-P energy: -10.150
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -18.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -211.226611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.226611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.226611 (E_RNA)
where:
Base-Base interactions energy: -137.733
where: short stacking energy: -61.370
Base-Backbone interact. energy: -0.188
local terms energy: -73.305349
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -17.070
flat angles P-C4'-P energy: -6.768
tors. eta vs tors. theta energy: -18.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -179.091634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.091634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.091634 (E_RNA)
where:
Base-Base interactions energy: -101.355
where: short stacking energy: -56.784
Base-Backbone interact. energy: -0.012
local terms energy: -77.724653
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -13.865
tors. eta vs tors. theta energy: -20.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -112.284721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.284721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.284721 (E_RNA)
where:
Base-Base interactions energy: -46.932
where: short stacking energy: -46.122
Base-Backbone interact. energy: -0.090
local terms energy: -65.261950
where:
bonds (distance) C4'-P energy: -16.062
bonds (distance) P-C4' energy: -19.882
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -8.431
tors. eta vs tors. theta energy: -7.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -123.265486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.265486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.265486 (E_RNA)
where:
Base-Base interactions energy: -52.397
where: short stacking energy: -33.356
Base-Backbone interact. energy: -0.041
local terms energy: -70.826665
where:
bonds (distance) C4'-P energy: -18.387
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -17.217
flat angles P-C4'-P energy: -12.303
tors. eta vs tors. theta energy: -7.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -94.959732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.959732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.959732 (E_RNA)
where:
Base-Base interactions energy: -47.911
where: short stacking energy: -26.380
Base-Backbone interact. energy: -0.033
local terms energy: -47.016139
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -16.098
flat angles C4'-P-C4' energy: -4.305
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: -4.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -98.881861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.881861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.881861 (E_RNA)
where:
Base-Base interactions energy: -39.300
where: short stacking energy: -28.731
Base-Backbone interact. energy: -0.022
local terms energy: -59.560305
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -14.038
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -3.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -85.711591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.711591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.711591 (E_RNA)
where:
Base-Base interactions energy: -35.482
where: short stacking energy: -24.824
Base-Backbone interact. energy: -0.401
local terms energy: -49.828832
where:
bonds (distance) C4'-P energy: -19.974
bonds (distance) P-C4' energy: -16.091
flat angles C4'-P-C4' energy: -11.125
flat angles P-C4'-P energy: -7.554
tors. eta vs tors. theta energy: 4.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -255.709521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.709521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.709521 (E_RNA)
where:
Base-Base interactions energy: -171.856
where: short stacking energy: -73.836
Base-Backbone interact. energy: -0.440
local terms energy: -83.414033
where:
bonds (distance) C4'-P energy: -18.080
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -9.315
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: 2, replica: 10
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -245.307921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.307921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.307921 (E_RNA)
where:
Base-Base interactions energy: -158.542
where: short stacking energy: -71.145
Base-Backbone interact. energy: -0.122
local terms energy: -86.644062
where:
bonds (distance) C4'-P energy: -16.725
bonds (distance) P-C4' energy: -19.696
flat angles C4'-P-C4' energy: -20.360
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -20.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -232.658630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.658630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.658630 (E_RNA)
where:
Base-Base interactions energy: -153.658
where: short stacking energy: -62.406
Base-Backbone interact. energy: -0.076
local terms energy: -78.924719
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -17.240
flat angles C4'-P-C4' energy: -17.656
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -17.376
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: 8
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -197.794032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.794032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.794032 (E_RNA)
where:
Base-Base interactions energy: -120.856
where: short stacking energy: -61.131
Base-Backbone interact. energy: -0.094
local terms energy: -76.844255
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -18.108
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -17.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -187.059301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.059301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.059301 (E_RNA)
where:
Base-Base interactions energy: -118.756
where: short stacking energy: -57.644
Base-Backbone interact. energy: -0.416
local terms energy: -67.887182
where:
bonds (distance) C4'-P energy: -16.008
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -8.827
tors. eta vs tors. theta energy: -11.971
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: 68
Temperature: 1.150000
Total energy: -107.655874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.655874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.655874 (E_RNA)
where:
Base-Base interactions energy: -48.603
where: short stacking energy: -41.994
Base-Backbone interact. energy: 0.109
local terms energy: -59.161276
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -12.156
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -5.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -91.513403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.513403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.513403 (E_RNA)
where:
Base-Base interactions energy: -33.496
where: short stacking energy: -33.518
Base-Backbone interact. energy: -0.112
local terms energy: -57.905102
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -15.859
flat angles C4'-P-C4' energy: -12.290
flat angles P-C4'-P energy: -9.878
tors. eta vs tors. theta energy: -5.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -93.543662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.543662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.543662 (E_RNA)
where:
Base-Base interactions energy: -43.302
where: short stacking energy: -41.056
Base-Backbone interact. energy: -0.037
local terms energy: -50.204221
where:
bonds (distance) C4'-P energy: -8.516
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -11.362
flat angles P-C4'-P energy: -10.566
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: 9, replica: 3
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -83.047075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.047075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.047075 (E_RNA)
where:
Base-Base interactions energy: -28.872
where: short stacking energy: -28.872
Base-Backbone interact. energy: 2.097
local terms energy: -56.272634
where:
bonds (distance) C4'-P energy: -13.860
bonds (distance) P-C4' energy: -12.193
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -12.316
tors. eta vs tors. theta energy: -4.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -84.178955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.178955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.178955 (E_RNA)
where:
Base-Base interactions energy: -23.364
where: short stacking energy: -22.947
Base-Backbone interact. energy: 1.434
local terms energy: -62.248763
where:
bonds (distance) C4'-P energy: -15.536
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -4.510
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: 6
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -252.653917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.653917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.653917 (E_RNA)
where:
Base-Base interactions energy: -166.755
where: short stacking energy: -78.414
Base-Backbone interact. energy: -0.187
local terms energy: -85.712605
where:
bonds (distance) C4'-P energy: -17.721
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -13.395
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: 2, replica: 10
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -232.568056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.568056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.568056 (E_RNA)
where:
Base-Base interactions energy: -152.754
where: short stacking energy: -69.268
Base-Backbone interact. energy: 1.893
local terms energy: -81.707161
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -17.778
flat angles P-C4'-P energy: -14.945
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: 3, replica: 1
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -233.379356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.379356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.379356 (E_RNA)
where:
Base-Base interactions energy: -152.681
where: short stacking energy: -73.009
Base-Backbone interact. energy: -0.363
local terms energy: -80.335669
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -18.125
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -20.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -179.066254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.066254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.066254 (E_RNA)
where:
Base-Base interactions energy: -107.803
where: short stacking energy: -53.528
Base-Backbone interact. energy: -0.950
local terms energy: -70.313149
where:
bonds (distance) C4'-P energy: -14.473
bonds (distance) P-C4' energy: -10.772
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -14.444
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: 5, replica: 8
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -192.530956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.530956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.530956 (E_RNA)
where:
Base-Base interactions energy: -111.160
where: short stacking energy: -50.141
Base-Backbone interact. energy: -0.138
local terms energy: -81.233032
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -17.943
flat angles C4'-P-C4' energy: -20.990
flat angles P-C4'-P energy: -9.701
tors. eta vs tors. theta energy: -17.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -109.090463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.090463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.090463 (E_RNA)
where:
Base-Base interactions energy: -44.428
where: short stacking energy: -44.428
Base-Backbone interact. energy: -0.062
local terms energy: -64.601027
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -19.781
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -7.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -85.459017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.459017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.459017 (E_RNA)
where:
Base-Base interactions energy: -37.790
where: short stacking energy: -28.154
Base-Backbone interact. energy: -0.851
local terms energy: -46.818031
where:
bonds (distance) C4'-P energy: -17.610
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: 0.599
tors. eta vs tors. theta energy: 1.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -89.907742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.907742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.907742 (E_RNA)
where:
Base-Base interactions energy: -46.407
where: short stacking energy: -28.836
Base-Backbone interact. energy: 0.285
local terms energy: -43.785944
where:
bonds (distance) C4'-P energy: -10.476
bonds (distance) P-C4' energy: -6.527
flat angles C4'-P-C4' energy: -16.647
flat angles P-C4'-P energy: -6.315
tors. eta vs tors. theta energy: -3.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -85.771756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.771756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.771756 (E_RNA)
where:
Base-Base interactions energy: -28.495
where: short stacking energy: -24.136
Base-Backbone interact. energy: -0.362
local terms energy: -56.914444
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -3.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -91.840006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.840006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.840006 (E_RNA)
where:
Base-Base interactions energy: -30.960
where: short stacking energy: -27.549
Base-Backbone interact. energy: 0.810
local terms energy: -61.689926
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -6.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -249.710253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.710253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.710253 (E_RNA)
where:
Base-Base interactions energy: -165.299
where: short stacking energy: -80.142
Base-Backbone interact. energy: -0.097
local terms energy: -84.314355
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -18.255
flat angles C4'-P-C4' energy: -13.453
flat angles P-C4'-P energy: -13.766
tors. eta vs tors. theta energy: -24.228
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: 10
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -238.987757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.987757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.987757 (E_RNA)
where:
Base-Base interactions energy: -153.412
where: short stacking energy: -65.806
Base-Backbone interact. energy: 0.185
local terms energy: -85.760949
where:
bonds (distance) C4'-P energy: -17.448
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -20.476
flat angles P-C4'-P energy: -13.491
tors. eta vs tors. theta energy: -18.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -232.985617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.985617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.985617 (E_RNA)
where:
Base-Base interactions energy: -151.455
where: short stacking energy: -71.331
Base-Backbone interact. energy: -0.117
local terms energy: -81.413247
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -11.632
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: 4, replica: 2
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -173.469908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.469908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.469908 (E_RNA)
where:
Base-Base interactions energy: -100.732
where: short stacking energy: -48.648
Base-Backbone interact. energy: -0.135
local terms energy: -72.603244
where:
bonds (distance) C4'-P energy: -17.626
bonds (distance) P-C4' energy: -11.183
flat angles C4'-P-C4' energy: -16.885
flat angles P-C4'-P energy: -9.526
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: 5, replica: 8
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -198.820409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.820409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.820409 (E_RNA)
where:
Base-Base interactions energy: -126.649
where: short stacking energy: -62.196
Base-Backbone interact. energy: -0.076
local terms energy: -72.094586
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -13.474
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -12.357
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: 9
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -99.674465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.674465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.674465 (E_RNA)
where:
Base-Base interactions energy: -35.149
where: short stacking energy: -31.295
Base-Backbone interact. energy: -0.165
local terms energy: -64.360413
where:
bonds (distance) C4'-P energy: -18.587
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -8.797
tors. eta vs tors. theta energy: -6.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -105.760042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.760042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.760042 (E_RNA)
where:
Base-Base interactions energy: -39.824
where: short stacking energy: -25.866
Base-Backbone interact. energy: -0.066
local terms energy: -65.869255
where:
bonds (distance) C4'-P energy: -12.546
bonds (distance) P-C4' energy: -19.154
flat angles C4'-P-C4' energy: -13.564
flat angles P-C4'-P energy: -12.023
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: 8, replica: 3
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -86.816438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.816438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.816438 (E_RNA)
where:
Base-Base interactions energy: -28.278
where: short stacking energy: -24.963
Base-Backbone interact. energy: -0.166
local terms energy: -58.371946
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -17.276
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -2.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -96.529670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.529670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.529670 (E_RNA)
where:
Base-Base interactions energy: -33.046
where: short stacking energy: -31.849
Base-Backbone interact. energy: -0.279
local terms energy: -63.205295
where:
bonds (distance) C4'-P energy: -18.943
bonds (distance) P-C4' energy: -18.774
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -11.556
tors. eta vs tors. theta energy: 0.846
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: 4
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -79.227682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.227682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.227682 (E_RNA)
where:
Base-Base interactions energy: -26.434
where: short stacking energy: -26.434
Base-Backbone interact. energy: -0.035
local terms energy: -52.758436
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -14.502
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -8.876
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: 1, replica: 6
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -258.364969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.364969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.364969 (E_RNA)
where:
Base-Base interactions energy: -178.520
where: short stacking energy: -65.088
Base-Backbone interact. energy: -0.855
local terms energy: -78.990191
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -19.196
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -12.850
tors. eta vs tors. theta energy: -20.152
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: 1
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -227.591747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.591747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.591747 (E_RNA)
where:
Base-Base interactions energy: -147.330
where: short stacking energy: -64.535
Base-Backbone interact. energy: -0.862
local terms energy: -79.400093
where:
bonds (distance) C4'-P energy: -16.313
bonds (distance) P-C4' energy: -18.952
flat angles C4'-P-C4' energy: -17.693
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -17.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -234.201782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.201782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.201782 (E_RNA)
where:
Base-Base interactions energy: -152.339
where: short stacking energy: -64.220
Base-Backbone interact. energy: -0.029
local terms energy: -81.833476
where:
bonds (distance) C4'-P energy: -17.947
bonds (distance) P-C4' energy: -14.220
flat angles C4'-P-C4' energy: -18.292
flat angles P-C4'-P energy: -11.524
tors. eta vs tors. theta energy: -19.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -210.076481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.076481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.076481 (E_RNA)
where:
Base-Base interactions energy: -127.595
where: short stacking energy: -57.519
Base-Backbone interact. energy: -0.728
local terms energy: -81.753528
where:
bonds (distance) C4'-P energy: -18.918
bonds (distance) P-C4' energy: -13.877
flat angles C4'-P-C4' energy: -16.766
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -20.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -162.419548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.419548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.419548 (E_RNA)
where:
Base-Base interactions energy: -94.984
where: short stacking energy: -47.187
Base-Backbone interact. energy: -0.098
local terms energy: -67.337413
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -19.729
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -8.030
tors. eta vs tors. theta energy: -8.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -102.926876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.926876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.926876 (E_RNA)
where:
Base-Base interactions energy: -38.563
where: short stacking energy: -25.717
Base-Backbone interact. energy: -0.352
local terms energy: -64.011883
where:
bonds (distance) C4'-P energy: -18.714
bonds (distance) P-C4' energy: -16.084
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -8.075
tors. eta vs tors. theta energy: -5.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -98.453323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.453323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.453323 (E_RNA)
where:
Base-Base interactions energy: -36.130
where: short stacking energy: -36.130
Base-Backbone interact. energy: -0.020
local terms energy: -62.303174
where:
bonds (distance) C4'-P energy: -10.835
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -12.122
tors. eta vs tors. theta energy: -9.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -104.188249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.188249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.188249 (E_RNA)
where:
Base-Base interactions energy: -40.906
where: short stacking energy: -30.066
Base-Backbone interact. energy: -0.102
local terms energy: -63.180779
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -18.621
flat angles P-C4'-P energy: -13.043
tors. eta vs tors. theta energy: -3.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -88.754882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.754882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.754882 (E_RNA)
where:
Base-Base interactions energy: -28.791
where: short stacking energy: -28.791
Base-Backbone interact. energy: 1.466
local terms energy: -61.429289
where:
bonds (distance) C4'-P energy: -18.988
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -5.850
tors. eta vs tors. theta energy: -6.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -79.186654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.186654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.186654 (E_RNA)
where:
Base-Base interactions energy: -31.787
where: short stacking energy: -26.269
Base-Backbone interact. energy: -0.493
local terms energy: -46.907626
where:
bonds (distance) C4'-P energy: -17.495
bonds (distance) P-C4' energy: -13.671
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -4.503
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: 1, replica: 6
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -268.895172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.895172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.895172 (E_RNA)
where:
Base-Base interactions energy: -178.080
where: short stacking energy: -78.743
Base-Backbone interact. energy: -0.351
local terms energy: -90.464700
where:
bonds (distance) C4'-P energy: -18.231
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -20.475
flat angles P-C4'-P energy: -10.381
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: 2, replica: 1
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -243.331852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.331852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.331852 (E_RNA)
where:
Base-Base interactions energy: -161.904
where: short stacking energy: -70.541
Base-Backbone interact. energy: -0.081
local terms energy: -81.346396
where:
bonds (distance) C4'-P energy: -14.540
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -16.909
flat angles P-C4'-P energy: -13.769
tors. eta vs tors. theta energy: -18.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -226.123212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.123212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.123212 (E_RNA)
where:
Base-Base interactions energy: -150.156
where: short stacking energy: -65.839
Base-Backbone interact. energy: -0.496
local terms energy: -75.471299
where:
bonds (distance) C4'-P energy: -9.277
bonds (distance) P-C4' energy: -17.325
flat angles C4'-P-C4' energy: -17.781
flat angles P-C4'-P energy: -13.463
tors. eta vs tors. theta energy: -17.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -204.720143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.720143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.720143 (E_RNA)
where:
Base-Base interactions energy: -116.969
where: short stacking energy: -60.975
Base-Backbone interact. energy: -0.094
local terms energy: -87.657757
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -19.313
flat angles C4'-P-C4' energy: -19.772
flat angles P-C4'-P energy: -11.859
tors. eta vs tors. theta energy: -20.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -175.014563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.014563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.014563 (E_RNA)
where:
Base-Base interactions energy: -99.417
where: short stacking energy: -50.175
Base-Backbone interact. energy: -0.170
local terms energy: -75.428367
where:
bonds (distance) C4'-P energy: -16.182
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -18.920
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -12.282
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: 6, replica: 7
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -110.178577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.178577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.178577 (E_RNA)
where:
Base-Base interactions energy: -38.742
where: short stacking energy: -25.254
Base-Backbone interact. energy: -0.257
local terms energy: -71.179052
where:
bonds (distance) C4'-P energy: -17.389
bonds (distance) P-C4' energy: -19.617
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -8.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -103.063690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.063690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.063690 (E_RNA)
where:
Base-Base interactions energy: -45.135
where: short stacking energy: -32.491
Base-Backbone interact. energy: -0.172
local terms energy: -57.756521
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -11.651
tors. eta vs tors. theta energy: -2.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -101.984417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.984417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.984417 (E_RNA)
where:
Base-Base interactions energy: -32.487
where: short stacking energy: -30.519
Base-Backbone interact. energy: -0.054
local terms energy: -69.443485
where:
bonds (distance) C4'-P energy: -17.688
bonds (distance) P-C4' energy: -16.673
flat angles C4'-P-C4' energy: -17.722
flat angles P-C4'-P energy: -7.129
tors. eta vs tors. theta energy: -10.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -86.704544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.704544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.704544 (E_RNA)
where:
Base-Base interactions energy: -37.121
where: short stacking energy: -27.946
Base-Backbone interact. energy: -0.124
local terms energy: -49.459264
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -10.557
flat angles P-C4'-P energy: -9.319
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: 4
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -95.449105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.449105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.449105 (E_RNA)
where:
Base-Base interactions energy: -48.438
where: short stacking energy: -25.047
Base-Backbone interact. energy: 7.119
local terms energy: -54.129960
where:
bonds (distance) C4'-P energy: -15.400
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -6.285
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: 1, replica: 6
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -250.931100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.931100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.931100 (E_RNA)
where:
Base-Base interactions energy: -173.158
where: short stacking energy: -75.488
Base-Backbone interact. energy: -0.945
local terms energy: -76.828486
where:
bonds (distance) C4'-P energy: -11.944
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -22.049
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: 10
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -246.729243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.729243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.729243 (E_RNA)
where:
Base-Base interactions energy: -162.710
where: short stacking energy: -69.481
Base-Backbone interact. energy: 0.439
local terms energy: -84.458217
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -19.563
flat angles C4'-P-C4' energy: -18.369
flat angles P-C4'-P energy: -12.811
tors. eta vs tors. theta energy: -19.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -227.817632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.817632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.817632 (E_RNA)
where:
Base-Base interactions energy: -151.331
where: short stacking energy: -57.884
Base-Backbone interact. energy: -0.299
local terms energy: -76.188082
where:
bonds (distance) C4'-P energy: -11.757
bonds (distance) P-C4' energy: -19.711
flat angles C4'-P-C4' energy: -18.341
flat angles P-C4'-P energy: -11.290
tors. eta vs tors. theta energy: -15.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -213.248049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.248049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.248049 (E_RNA)
where:
Base-Base interactions energy: -126.232
where: short stacking energy: -59.917
Base-Backbone interact. energy: -0.219
local terms energy: -86.796981
where:
bonds (distance) C4'-P energy: -17.946
bonds (distance) P-C4' energy: -18.271
flat angles C4'-P-C4' energy: -16.741
flat angles P-C4'-P energy: -13.508
tors. eta vs tors. theta energy: -20.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -167.442149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.442149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.442149 (E_RNA)
where:
Base-Base interactions energy: -90.038
where: short stacking energy: -49.997
Base-Backbone interact. energy: -0.957
local terms energy: -76.447101
where:
bonds (distance) C4'-P energy: -17.664
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -18.187
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: -8.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -106.951101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.951101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.951101 (E_RNA)
where:
Base-Base interactions energy: -39.740
where: short stacking energy: -39.740
Base-Backbone interact. energy: -0.129
local terms energy: -67.081595
where:
bonds (distance) C4'-P energy: -15.686
bonds (distance) P-C4' energy: -16.574
flat angles C4'-P-C4' energy: -19.212
flat angles P-C4'-P energy: -5.291
tors. eta vs tors. theta energy: -10.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -145.145139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.145139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.145139 (E_RNA)
where:
Base-Base interactions energy: -75.933
where: short stacking energy: -38.816
Base-Backbone interact. energy: -0.078
local terms energy: -69.134292
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -17.606
flat angles C4'-P-C4' energy: -20.882
flat angles P-C4'-P energy: -7.326
tors. eta vs tors. theta energy: -10.743
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: 73
Temperature: 1.250000
Total energy: -83.930007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.930007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.930007 (E_RNA)
where:
Base-Base interactions energy: -39.869
where: short stacking energy: -29.905
Base-Backbone interact. energy: 0.218
local terms energy: -44.278285
where:
bonds (distance) C4'-P energy: -11.077
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -7.525
flat angles P-C4'-P energy: -4.794
tors. eta vs tors. theta energy: -2.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -86.157492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.157492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.157492 (E_RNA)
where:
Base-Base interactions energy: -45.675
where: short stacking energy: -20.362
Base-Backbone interact. energy: -0.245
local terms energy: -40.236562
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -17.407
flat angles C4'-P-C4' energy: -8.045
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: 6.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -83.974558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.974558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.974558 (E_RNA)
where:
Base-Base interactions energy: -28.054
where: short stacking energy: -24.767
Base-Backbone interact. energy: -1.065
local terms energy: -54.855021
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -10.560
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -3.312
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: 10
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -240.806858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.806858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.806858 (E_RNA)
where:
Base-Base interactions energy: -161.487
where: short stacking energy: -69.086
Base-Backbone interact. energy: 0.400
local terms energy: -79.720219
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -15.412
flat angles P-C4'-P energy: -13.184
tors. eta vs tors. theta energy: -20.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -257.361672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.361672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.361672 (E_RNA)
where:
Base-Base interactions energy: -169.876
where: short stacking energy: -82.149
Base-Backbone interact. energy: -1.304
local terms energy: -86.181530
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -15.100
tors. eta vs tors. theta energy: -23.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -219.907454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.907454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.907454 (E_RNA)
where:
Base-Base interactions energy: -142.317
where: short stacking energy: -54.598
Base-Backbone interact. energy: 2.119
local terms energy: -79.709700
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -19.358
flat angles C4'-P-C4' energy: -20.276
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -14.846
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: 8
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -205.845039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.845039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.845039 (E_RNA)
where:
Base-Base interactions energy: -123.753
where: short stacking energy: -71.946
Base-Backbone interact. energy: -0.053
local terms energy: -82.039044
where:
bonds (distance) C4'-P energy: -17.373
bonds (distance) P-C4' energy: -19.239
flat angles C4'-P-C4' energy: -12.289
flat angles P-C4'-P energy: -13.857
tors. eta vs tors. theta energy: -19.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -116.552688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.552688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.552688 (E_RNA)
where:
Base-Base interactions energy: -51.903
where: short stacking energy: -44.889
Base-Backbone interact. energy: -1.073
local terms energy: -63.576495
where:
bonds (distance) C4'-P energy: -17.481
bonds (distance) P-C4' energy: -18.442
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -6.996
tors. eta vs tors. theta energy: -5.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -115.450982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.450982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.450982 (E_RNA)
where:
Base-Base interactions energy: -59.942
where: short stacking energy: -37.513
Base-Backbone interact. energy: -0.163
local terms energy: -55.345816
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -18.230
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -0.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -153.236655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.236655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.236655 (E_RNA)
where:
Base-Base interactions energy: -87.573
where: short stacking energy: -37.592
Base-Backbone interact. energy: -0.741
local terms energy: -64.921861
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -19.324
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -7.780
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: 8, replica: 3
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -96.436650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.436650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.436650 (E_RNA)
where:
Base-Base interactions energy: -42.403
where: short stacking energy: -34.946
Base-Backbone interact. energy: -0.344
local terms energy: -53.689468
where:
bonds (distance) C4'-P energy: -10.410
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -6.887
tors. eta vs tors. theta energy: -7.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -88.964126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.964126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.964126 (E_RNA)
where:
Base-Base interactions energy: -28.182
where: short stacking energy: -24.990
Base-Backbone interact. energy: -0.514
local terms energy: -60.267563
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -0.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -94.151430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.151430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.151430 (E_RNA)
where:
Base-Base interactions energy: -33.446
where: short stacking energy: -31.548
Base-Backbone interact. energy: -0.079
local terms energy: -60.625829
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -12.194
tors. eta vs tors. theta energy: -2.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -237.498701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.498701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.498701 (E_RNA)
where:
Base-Base interactions energy: -153.489
where: short stacking energy: -63.507
Base-Backbone interact. energy: -0.095
local terms energy: -83.913843
where:
bonds (distance) C4'-P energy: -17.680
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -20.512
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -17.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -258.954848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.954848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.954848 (E_RNA)
where:
Base-Base interactions energy: -176.064
where: short stacking energy: -75.107
Base-Backbone interact. energy: -1.234
local terms energy: -81.656288
where:
bonds (distance) C4'-P energy: -15.937
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -17.984
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -21.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -227.604476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.604476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.604476 (E_RNA)
where:
Base-Base interactions energy: -154.187
where: short stacking energy: -77.616
Base-Backbone interact. energy: 0.413
local terms energy: -73.830329
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -10.329
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -14.530
tors. eta vs tors. theta energy: -16.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -203.904105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.904105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.904105 (E_RNA)
where:
Base-Base interactions energy: -121.766
where: short stacking energy: -63.161
Base-Backbone interact. energy: -0.516
local terms energy: -81.622487
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -19.217
flat angles C4'-P-C4' energy: -17.968
flat angles P-C4'-P energy: -12.160
tors. eta vs tors. theta energy: -16.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -102.896197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.896197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.896197 (E_RNA)
where:
Base-Base interactions energy: -44.423
where: short stacking energy: -26.189
Base-Backbone interact. energy: -0.555
local terms energy: -57.918128
where:
bonds (distance) C4'-P energy: -16.691
bonds (distance) P-C4' energy: -17.878
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -8.205
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: 6, replica: 7
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -108.243065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.243065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.243065 (E_RNA)
where:
Base-Base interactions energy: -51.191
where: short stacking energy: -46.168
Base-Backbone interact. energy: -0.193
local terms energy: -56.858519
where:
bonds (distance) C4'-P energy: -10.116
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -15.319
flat angles P-C4'-P energy: -8.757
tors. eta vs tors. theta energy: -4.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -92.768311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.768311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.768311 (E_RNA)
where:
Base-Base interactions energy: -42.535
where: short stacking energy: -27.579
Base-Backbone interact. energy: 0.681
local terms energy: -50.914369
where:
bonds (distance) C4'-P energy: -9.590
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -15.093
flat angles P-C4'-P energy: -3.834
tors. eta vs tors. theta energy: -5.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -93.430993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.430993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.430993 (E_RNA)
where:
Base-Base interactions energy: -33.271
where: short stacking energy: -33.271
Base-Backbone interact. energy: -0.075
local terms energy: -60.084510
where:
bonds (distance) C4'-P energy: -13.285
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -8.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -83.001844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.001844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.001844 (E_RNA)
where:
Base-Base interactions energy: -27.890
where: short stacking energy: -26.282
Base-Backbone interact. energy: 0.017
local terms energy: -55.128793
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -10.146
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: -4.911
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: 10, replica: 9
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -79.036972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.036972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.036972 (E_RNA)
where:
Base-Base interactions energy: -29.996
where: short stacking energy: -26.779
Base-Backbone interact. energy: -0.239
local terms energy: -48.801851
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -12.527
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -10.833
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: 1, replica: 6
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -256.375047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.375047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.375047 (E_RNA)
where:
Base-Base interactions energy: -167.230
where: short stacking energy: -75.134
Base-Backbone interact. energy: -0.560
local terms energy: -88.585533
where:
bonds (distance) C4'-P energy: -15.244
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -17.134
flat angles P-C4'-P energy: -16.441
tors. eta vs tors. theta energy: -25.945
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: 10
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -242.215732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.215732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.215732 (E_RNA)
where:
Base-Base interactions energy: -158.708
where: short stacking energy: -62.386
Base-Backbone interact. energy: -0.953
local terms energy: -82.554919
where:
bonds (distance) C4'-P energy: -19.949
bonds (distance) P-C4' energy: -13.196
flat angles C4'-P-C4' energy: -19.284
flat angles P-C4'-P energy: -13.546
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: 1
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -227.802551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.802551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.802551 (E_RNA)
where:
Base-Base interactions energy: -150.690
where: short stacking energy: -64.760
Base-Backbone interact. energy: -0.028
local terms energy: -77.084512
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -17.820
flat angles P-C4'-P energy: -14.665
tors. eta vs tors. theta energy: -12.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -202.331791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.331791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.331791 (E_RNA)
where:
Base-Base interactions energy: -120.762
where: short stacking energy: -63.745
Base-Backbone interact. energy: -0.313
local terms energy: -81.256580
where:
bonds (distance) C4'-P energy: -16.097
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -17.818
flat angles P-C4'-P energy: -12.963
tors. eta vs tors. theta energy: -18.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -121.969587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.969587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.969587 (E_RNA)
where:
Base-Base interactions energy: -73.944
where: short stacking energy: -41.689
Base-Backbone interact. energy: -0.717
local terms energy: -47.308091
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -9.359
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -7.179
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: 6, replica: 5
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -113.795922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.795922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.795922 (E_RNA)
where:
Base-Base interactions energy: -53.855
where: short stacking energy: -28.711
Base-Backbone interact. energy: -0.013
local terms energy: -59.928578
where:
bonds (distance) C4'-P energy: -19.471
bonds (distance) P-C4' energy: -18.311
flat angles C4'-P-C4' energy: -11.728
flat angles P-C4'-P energy: -6.346
tors. eta vs tors. theta energy: -4.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -99.874118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.874118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.874118 (E_RNA)
where:
Base-Base interactions energy: -45.498
where: short stacking energy: -28.542
Base-Backbone interact. energy: -0.355
local terms energy: -54.020434
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -16.288
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -3.553
tors. eta vs tors. theta energy: -2.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -95.997128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.997128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.997128 (E_RNA)
where:
Base-Base interactions energy: -44.390
where: short stacking energy: -29.676
Base-Backbone interact. energy: -0.103
local terms energy: -51.505091
where:
bonds (distance) C4'-P energy: -9.691
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -12.108
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -3.693
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: 9
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -91.925695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.925695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.925695 (E_RNA)
where:
Base-Base interactions energy: -38.649
where: short stacking energy: -29.728
Base-Backbone interact. energy: -0.641
local terms energy: -52.636463
where:
bonds (distance) C4'-P energy: -14.639
bonds (distance) P-C4' energy: -17.201
flat angles C4'-P-C4' energy: -18.303
flat angles P-C4'-P energy: -4.370
tors. eta vs tors. theta energy: 1.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -93.026655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.026655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.026655 (E_RNA)
where:
Base-Base interactions energy: -35.044
where: short stacking energy: -23.846
Base-Backbone interact. energy: -0.060
local terms energy: -57.923114
where:
bonds (distance) C4'-P energy: -16.649
bonds (distance) P-C4' energy: -15.394
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -8.135
tors. eta vs tors. theta energy: -6.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -263.231276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.231276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.231276 (E_RNA)
where:
Base-Base interactions energy: -172.163
where: short stacking energy: -74.619
Base-Backbone interact. energy: -0.012
local terms energy: -91.056520
where:
bonds (distance) C4'-P energy: -18.603
bonds (distance) P-C4' energy: -19.023
flat angles C4'-P-C4' energy: -19.227
flat angles P-C4'-P energy: -12.164
tors. eta vs tors. theta energy: -22.039
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: 1
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -227.327421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.327421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.327421 (E_RNA)
where:
Base-Base interactions energy: -141.804
where: short stacking energy: -57.688
Base-Backbone interact. energy: 0.265
local terms energy: -85.788551
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -19.936
flat angles C4'-P-C4' energy: -17.264
flat angles P-C4'-P energy: -12.778
tors. eta vs tors. theta energy: -17.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -229.123829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.123829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.123829 (E_RNA)
where:
Base-Base interactions energy: -149.455
where: short stacking energy: -63.557
Base-Backbone interact. energy: 0.010
local terms energy: -79.678465
where:
bonds (distance) C4'-P energy: -11.193
bonds (distance) P-C4' energy: -17.257
flat angles C4'-P-C4' energy: -19.491
flat angles P-C4'-P energy: -12.066
tors. eta vs tors. theta energy: -19.672
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: 8
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -215.270028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.270028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.270028 (E_RNA)
where:
Base-Base interactions energy: -130.516
where: short stacking energy: -70.262
Base-Backbone interact. energy: -0.374
local terms energy: -84.380260
where:
bonds (distance) C4'-P energy: -17.519
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -13.506
tors. eta vs tors. theta energy: -20.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -131.546883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.546883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.546883 (E_RNA)
where:
Base-Base interactions energy: -67.874
where: short stacking energy: -43.013
Base-Backbone interact. energy: -1.039
local terms energy: -62.633208
where:
bonds (distance) C4'-P energy: -17.866
bonds (distance) P-C4' energy: -16.331
flat angles C4'-P-C4' energy: -10.601
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -5.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -96.974047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.974047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.974047 (E_RNA)
where:
Base-Base interactions energy: -45.358
where: short stacking energy: -28.716
Base-Backbone interact. energy: -0.742
local terms energy: -50.873587
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -12.466
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -8.649
tors. eta vs tors. theta energy: -0.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -100.216251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.216251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.216251 (E_RNA)
where:
Base-Base interactions energy: -44.632
where: short stacking energy: -30.421
Base-Backbone interact. energy: 0.009
local terms energy: -55.594013
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -18.920
flat angles C4'-P-C4' energy: -12.351
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -3.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -101.465497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.465497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.465497 (E_RNA)
where:
Base-Base interactions energy: -51.066
where: short stacking energy: -38.408
Base-Backbone interact. energy: -0.082
local terms energy: -50.316586
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -7.378
flat angles P-C4'-P energy: -6.876
tors. eta vs tors. theta energy: -8.494
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: 2
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -84.020755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.020755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.020755 (E_RNA)
where:
Base-Base interactions energy: -27.053
where: short stacking energy: -16.450
Base-Backbone interact. energy: -0.594
local terms energy: -56.373387
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -13.624
flat angles P-C4'-P energy: -12.311
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: 3
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -77.129709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.129709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.129709 (E_RNA)
where:
Base-Base interactions energy: -24.789
where: short stacking energy: -19.670
Base-Backbone interact. energy: -0.929
local terms energy: -51.411891
where:
bonds (distance) C4'-P energy: -11.682
bonds (distance) P-C4' energy: -20.677
flat angles C4'-P-C4' energy: -11.998
flat angles P-C4'-P energy: -8.137
tors. eta vs tors. theta energy: 1.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -257.395030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.395030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.395030 (E_RNA)
where:
Base-Base interactions energy: -169.558
where: short stacking energy: -72.093
Base-Backbone interact. energy: -0.007
local terms energy: -87.830399
where:
bonds (distance) C4'-P energy: -17.038
bonds (distance) P-C4' energy: -16.497
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -12.943
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: 2, replica: 1
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -244.289602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.289602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.289602 (E_RNA)
where:
Base-Base interactions energy: -163.384
where: short stacking energy: -68.333
Base-Backbone interact. energy: -0.469
local terms energy: -80.435962
where:
bonds (distance) C4'-P energy: -13.177
bonds (distance) P-C4' energy: -19.306
flat angles C4'-P-C4' energy: -18.463
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: -18.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -229.342542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.342542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.342542 (E_RNA)
where:
Base-Base interactions energy: -157.714
where: short stacking energy: -64.603
Base-Backbone interact. energy: 1.615
local terms energy: -73.243337
where:
bonds (distance) C4'-P energy: -18.651
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -14.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -201.427125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.427125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.427125 (E_RNA)
where:
Base-Base interactions energy: -119.596
where: short stacking energy: -62.329
Base-Backbone interact. energy: -0.798
local terms energy: -81.032548
where:
bonds (distance) C4'-P energy: -18.519
bonds (distance) P-C4' energy: -19.428
flat angles C4'-P-C4' energy: -13.784
flat angles P-C4'-P energy: -12.147
tors. eta vs tors. theta energy: -17.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -119.419179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.419179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.419179 (E_RNA)
where:
Base-Base interactions energy: -60.704
where: short stacking energy: -36.704
Base-Backbone interact. energy: -0.698
local terms energy: -58.017291
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -17.611
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -11.393
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: 6, replica: 7
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -118.731580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.731580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.731580 (E_RNA)
where:
Base-Base interactions energy: -55.507
where: short stacking energy: -40.908
Base-Backbone interact. energy: 0.044
local terms energy: -63.268064
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -7.956
flat angles C4'-P-C4' energy: -20.515
flat angles P-C4'-P energy: -10.669
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: 9
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -87.198986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.198986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.198986 (E_RNA)
where:
Base-Base interactions energy: -34.531
where: short stacking energy: -29.528
Base-Backbone interact. energy: -0.624
local terms energy: -52.043751
where:
bonds (distance) C4'-P energy: -11.527
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -12.143
flat angles P-C4'-P energy: -12.147
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: 8, replica: 5
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -81.322223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.322223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.322223 (E_RNA)
where:
Base-Base interactions energy: -31.162
where: short stacking energy: -13.448
Base-Backbone interact. energy: -0.441
local terms energy: -49.719410
where:
bonds (distance) C4'-P energy: -15.813
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: 6.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -85.076204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.076204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.076204 (E_RNA)
where:
Base-Base interactions energy: -27.549
where: short stacking energy: -23.467
Base-Backbone interact. energy: 0.519
local terms energy: -58.046622
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -18.234
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -2.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -83.205612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.205612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.205612 (E_RNA)
where:
Base-Base interactions energy: -33.052
where: short stacking energy: -24.754
Base-Backbone interact. energy: -0.230
local terms energy: -49.923810
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -12.287
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -3.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -247.883982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.883982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.883982 (E_RNA)
where:
Base-Base interactions energy: -158.457
where: short stacking energy: -69.170
Base-Backbone interact. energy: -0.827
local terms energy: -88.599942
where:
bonds (distance) C4'-P energy: -18.450
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -14.395
tors. eta vs tors. theta energy: -20.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -236.087834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.087834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.087834 (E_RNA)
where:
Base-Base interactions energy: -153.382
where: short stacking energy: -60.812
Base-Backbone interact. energy: -0.150
local terms energy: -82.555351
where:
bonds (distance) C4'-P energy: -17.209
bonds (distance) P-C4' energy: -17.469
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -15.017
tors. eta vs tors. theta energy: -16.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -225.097621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.097621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.097621 (E_RNA)
where:
Base-Base interactions energy: -149.257
where: short stacking energy: -62.115
Base-Backbone interact. energy: 0.077
local terms energy: -75.917734
where:
bonds (distance) C4'-P energy: -8.162
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -19.916
flat angles P-C4'-P energy: -13.244
tors. eta vs tors. theta energy: -16.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -191.231445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.231445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.231445 (E_RNA)
where:
Base-Base interactions energy: -111.666
where: short stacking energy: -51.710
Base-Backbone interact. energy: -0.319
local terms energy: -79.246467
where:
bonds (distance) C4'-P energy: -17.224
bonds (distance) P-C4' energy: -19.908
flat angles C4'-P-C4' energy: -18.170
flat angles P-C4'-P energy: -7.637
tors. eta vs tors. theta energy: -16.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -152.598186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.598186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.598186 (E_RNA)
where:
Base-Base interactions energy: -94.048
where: short stacking energy: -47.451
Base-Backbone interact. energy: -0.721
local terms energy: -57.828732
where:
bonds (distance) C4'-P energy: -11.612
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -17.197
flat angles P-C4'-P energy: -5.203
tors. eta vs tors. theta energy: -9.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -104.036941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.036941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.036941 (E_RNA)
where:
Base-Base interactions energy: -44.417
where: short stacking energy: -30.737
Base-Backbone interact. energy: 0.014
local terms energy: -59.633756
where:
bonds (distance) C4'-P energy: -16.789
bonds (distance) P-C4' energy: -11.649
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -6.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -105.023814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.023814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.023814 (E_RNA)
where:
Base-Base interactions energy: -41.466
where: short stacking energy: -34.348
Base-Backbone interact. energy: -0.179
local terms energy: -63.378181
where:
bonds (distance) C4'-P energy: -17.097
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -4.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -83.379770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.379770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.379770 (E_RNA)
where:
Base-Base interactions energy: -30.084
where: short stacking energy: -21.731
Base-Backbone interact. energy: 1.986
local terms energy: -55.281407
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -12.094
flat angles C4'-P-C4' energy: -16.985
flat angles P-C4'-P energy: -9.502
tors. eta vs tors. theta energy: -2.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -74.500884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.500884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.500884 (E_RNA)
where:
Base-Base interactions energy: -18.440
where: short stacking energy: -17.134
Base-Backbone interact. energy: 0.042
local terms energy: -56.102747
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -12.883
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -3.058
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: 79
Temperature: 1.350000
Total energy: -81.770422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.770422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.770422 (E_RNA)
where:
Base-Base interactions energy: -39.525
where: short stacking energy: -12.638
Base-Backbone interact. energy: -0.609
local terms energy: -41.636430
where:
bonds (distance) C4'-P energy: -10.013
bonds (distance) P-C4' energy: -15.540
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -8.158
tors. eta vs tors. theta energy: 7.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -257.593106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.593106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.593106 (E_RNA)
where:
Base-Base interactions energy: -169.817
where: short stacking energy: -76.586
Base-Backbone interact. energy: -0.015
local terms energy: -87.761232
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -18.245
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -14.154
tors. eta vs tors. theta energy: -24.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -240.170549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.170549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.170549 (E_RNA)
where:
Base-Base interactions energy: -150.903
where: short stacking energy: -66.322
Base-Backbone interact. energy: -0.299
local terms energy: -88.967981
where:
bonds (distance) C4'-P energy: -17.230
bonds (distance) P-C4' energy: -18.872
flat angles C4'-P-C4' energy: -19.347
flat angles P-C4'-P energy: -16.623
tors. eta vs tors. theta energy: -16.896
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: 10
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -225.863989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.863989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.863989 (E_RNA)
where:
Base-Base interactions energy: -149.386
where: short stacking energy: -65.166
Base-Backbone interact. energy: -0.461
local terms energy: -76.017092
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -20.860
flat angles C4'-P-C4' energy: -17.804
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -14.127
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: 8
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -195.278026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.278026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.278026 (E_RNA)
where:
Base-Base interactions energy: -128.049
where: short stacking energy: -67.070
Base-Backbone interact. energy: 1.364
local terms energy: -68.593264
where:
bonds (distance) C4'-P energy: -10.701
bonds (distance) P-C4' energy: -13.273
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: -18.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -162.458500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.458500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.458500 (E_RNA)
where:
Base-Base interactions energy: -96.491
where: short stacking energy: -43.097
Base-Backbone interact. energy: -0.089
local terms energy: -65.879335
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -5.244
tors. eta vs tors. theta energy: -10.908
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: 7
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -106.033709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.033709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.033709 (E_RNA)
where:
Base-Base interactions energy: -48.329
where: short stacking energy: -33.085
Base-Backbone interact. energy: -0.401
local terms energy: -57.303890
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -19.796
flat angles C4'-P-C4' energy: -17.881
flat angles P-C4'-P energy: -5.731
tors. eta vs tors. theta energy: -1.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -114.388536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.388536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.388536 (E_RNA)
where:
Base-Base interactions energy: -51.207
where: short stacking energy: -30.241
Base-Backbone interact. energy: -0.051
local terms energy: -63.130573
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -10.993
tors. eta vs tors. theta energy: -2.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -90.586021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.586021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.586021 (E_RNA)
where:
Base-Base interactions energy: -30.439
where: short stacking energy: -25.420
Base-Backbone interact. energy: -0.244
local terms energy: -59.903054
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -19.691
flat angles P-C4'-P energy: -9.139
tors. eta vs tors. theta energy: 2.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -83.887467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.887467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.887467 (E_RNA)
where:
Base-Base interactions energy: -34.196
where: short stacking energy: -19.454
Base-Backbone interact. energy: -0.427
local terms energy: -49.263894
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -9.502
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: 0.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -84.376377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.376377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.376377 (E_RNA)
where:
Base-Base interactions energy: -33.195
where: short stacking energy: -33.195
Base-Backbone interact. energy: -0.262
local terms energy: -50.919295
where:
bonds (distance) C4'-P energy: -10.500
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -10.253
flat angles P-C4'-P energy: -12.355
tors. eta vs tors. theta energy: -3.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -262.134646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.134646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.134646 (E_RNA)
where:
Base-Base interactions energy: -172.688
where: short stacking energy: -68.894
Base-Backbone interact. energy: -1.070
local terms energy: -88.377078
where:
bonds (distance) C4'-P energy: -17.515
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -18.024
flat angles P-C4'-P energy: -15.717
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: 2, replica: 1
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -239.856221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.856221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.856221 (E_RNA)
where:
Base-Base interactions energy: -159.427
where: short stacking energy: -78.226
Base-Backbone interact. energy: 1.685
local terms energy: -82.114747
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -15.140
tors. eta vs tors. theta energy: -22.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -226.255188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.255188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.255188 (E_RNA)
where:
Base-Base interactions energy: -154.023
where: short stacking energy: -59.385
Base-Backbone interact. energy: -0.670
local terms energy: -71.562782
where:
bonds (distance) C4'-P energy: -14.375
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -13.297
tors. eta vs tors. theta energy: -12.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -205.272474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.272474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.272474 (E_RNA)
where:
Base-Base interactions energy: -124.056
where: short stacking energy: -67.065
Base-Backbone interact. energy: 1.004
local terms energy: -82.220591
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -20.634
flat angles C4'-P-C4' energy: -18.606
flat angles P-C4'-P energy: -6.123
tors. eta vs tors. theta energy: -20.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -165.793770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.793770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.793770 (E_RNA)
where:
Base-Base interactions energy: -100.600
where: short stacking energy: -50.885
Base-Backbone interact. energy: -2.044
local terms energy: -63.149596
where:
bonds (distance) C4'-P energy: -11.473
bonds (distance) P-C4' energy: -19.408
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -5.158
tors. eta vs tors. theta energy: -13.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -108.577506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.577506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.577506 (E_RNA)
where:
Base-Base interactions energy: -54.750
where: short stacking energy: -47.168
Base-Backbone interact. energy: -0.457
local terms energy: -53.370588
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -6.098
tors. eta vs tors. theta energy: -8.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -108.064198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.064198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.064198 (E_RNA)
where:
Base-Base interactions energy: -47.589
where: short stacking energy: -34.436
Base-Backbone interact. energy: -0.067
local terms energy: -60.408103
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -13.087
tors. eta vs tors. theta energy: -4.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -112.477252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.477252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.477252 (E_RNA)
where:
Base-Base interactions energy: -54.522
where: short stacking energy: -33.007
Base-Backbone interact. energy: -0.471
local terms energy: -57.483512
where:
bonds (distance) C4'-P energy: -17.688
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -9.081
flat angles P-C4'-P energy: -10.658
tors. eta vs tors. theta energy: -4.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -85.327173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.327173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.327173 (E_RNA)
where:
Base-Base interactions energy: -37.882
where: short stacking energy: -29.548
Base-Backbone interact. energy: -0.291
local terms energy: -47.154151
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -14.394
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -2.299
tors. eta vs tors. theta energy: -1.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -81.291270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.291270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.291270 (E_RNA)
where:
Base-Base interactions energy: -22.465
where: short stacking energy: -21.765
Base-Backbone interact. energy: -0.122
local terms energy: -58.704587
where:
bonds (distance) C4'-P energy: -17.996
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: -3.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -266.206773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.206773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.206773 (E_RNA)
where:
Base-Base interactions energy: -176.107
where: short stacking energy: -87.430
Base-Backbone interact. energy: 1.565
local terms energy: -91.664977
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -18.996
flat angles C4'-P-C4' energy: -19.813
flat angles P-C4'-P energy: -12.468
tors. eta vs tors. theta energy: -25.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -245.538172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.538172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.538172 (E_RNA)
where:
Base-Base interactions energy: -162.158
where: short stacking energy: -73.471
Base-Backbone interact. energy: -0.226
local terms energy: -83.154409
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -16.014
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -15.377
tors. eta vs tors. theta energy: -19.989
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: 10
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -234.256836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.256836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.256836 (E_RNA)
where:
Base-Base interactions energy: -157.335
where: short stacking energy: -64.854
Base-Backbone interact. energy: -0.293
local terms energy: -76.629061
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -19.227
flat angles C4'-P-C4' energy: -12.585
flat angles P-C4'-P energy: -14.537
tors. eta vs tors. theta energy: -15.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -197.857400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.857400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.857400 (E_RNA)
where:
Base-Base interactions energy: -127.241
where: short stacking energy: -56.403
Base-Backbone interact. energy: -0.724
local terms energy: -69.892702
where:
bonds (distance) C4'-P energy: -9.073
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -19.285
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -15.953
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: 4
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -182.178362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.178362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.178362 (E_RNA)
where:
Base-Base interactions energy: -120.486
where: short stacking energy: -45.505
Base-Backbone interact. energy: -0.401
local terms energy: -61.291327
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -15.139
flat angles C4'-P-C4' energy: -9.859
flat angles P-C4'-P energy: -14.856
tors. eta vs tors. theta energy: -8.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -116.125092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.125092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.125092 (E_RNA)
where:
Base-Base interactions energy: -52.688
where: short stacking energy: -39.938
Base-Backbone interact. energy: -0.207
local terms energy: -63.230074
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -9.837
flat angles P-C4'-P energy: -5.815
tors. eta vs tors. theta energy: -12.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -103.556107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.556107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.556107 (E_RNA)
where:
Base-Base interactions energy: -41.167
where: short stacking energy: -34.233
Base-Backbone interact. energy: -0.049
local terms energy: -62.339716
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -17.844
flat angles C4'-P-C4' energy: -13.357
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -5.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -100.451605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.451605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.451605 (E_RNA)
where:
Base-Base interactions energy: -42.297
where: short stacking energy: -37.559
Base-Backbone interact. energy: -0.208
local terms energy: -57.946577
where:
bonds (distance) C4'-P energy: -15.019
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -7.566
tors. eta vs tors. theta energy: -5.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -86.463689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.463689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.463689 (E_RNA)
where:
Base-Base interactions energy: -28.301
where: short stacking energy: -23.392
Base-Backbone interact. energy: 1.385
local terms energy: -59.547744
where:
bonds (distance) C4'-P energy: -18.071
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -11.450
flat angles P-C4'-P energy: -9.234
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: 9
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -89.580787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.580787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.580787 (E_RNA)
where:
Base-Base interactions energy: -38.333
where: short stacking energy: -27.749
Base-Backbone interact. energy: -0.294
local terms energy: -50.954473
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -14.426
flat angles C4'-P-C4' energy: -11.841
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -2.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -257.100981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.100981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.100981 (E_RNA)
where:
Base-Base interactions energy: -166.629
where: short stacking energy: -78.097
Base-Backbone interact. energy: -0.041
local terms energy: -90.431094
where:
bonds (distance) C4'-P energy: -17.613
bonds (distance) P-C4' energy: -18.997
flat angles C4'-P-C4' energy: -19.701
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -22.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -231.951586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.951586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.951586 (E_RNA)
where:
Base-Base interactions energy: -161.890
where: short stacking energy: -69.062
Base-Backbone interact. energy: 1.443
local terms energy: -71.504614
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -14.667
flat angles C4'-P-C4' energy: -17.979
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -15.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -238.876606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.876606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.876606 (E_RNA)
where:
Base-Base interactions energy: -165.496
where: short stacking energy: -74.954
Base-Backbone interact. energy: 1.413
local terms energy: -74.794449
where:
bonds (distance) C4'-P energy: -12.715
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -17.691
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -18.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -196.206574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.206574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.206574 (E_RNA)
where:
Base-Base interactions energy: -119.660
where: short stacking energy: -54.712
Base-Backbone interact. energy: -0.128
local terms energy: -76.418931
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -17.904
flat angles P-C4'-P energy: -13.038
tors. eta vs tors. theta energy: -12.648
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: 8
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -204.561952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.561952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.561952 (E_RNA)
where:
Base-Base interactions energy: -127.202
where: short stacking energy: -63.876
Base-Backbone interact. energy: -0.148
local terms energy: -77.211830
where:
bonds (distance) C4'-P energy: -12.290
bonds (distance) P-C4' energy: -17.430
flat angles C4'-P-C4' energy: -17.328
flat angles P-C4'-P energy: -9.856
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: 6, replica: 3
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -116.841479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.841479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.841479 (E_RNA)
where:
Base-Base interactions energy: -53.459
where: short stacking energy: -37.393
Base-Backbone interact. energy: -0.006
local terms energy: -63.376237
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -18.908
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -5.483
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: 2
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -101.509584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.509584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.509584 (E_RNA)
where:
Base-Base interactions energy: -43.505
where: short stacking energy: -30.149
Base-Backbone interact. energy: -0.140
local terms energy: -57.864552
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -15.838
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -8.405
tors. eta vs tors. theta energy: -2.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -89.915054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.915054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.915054 (E_RNA)
where:
Base-Base interactions energy: -36.022
where: short stacking energy: -28.846
Base-Backbone interact. energy: -0.039
local terms energy: -53.854859
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -12.271
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -2.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -97.642634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.642634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.642634 (E_RNA)
where:
Base-Base interactions energy: -32.600
where: short stacking energy: -27.829
Base-Backbone interact. energy: -0.116
local terms energy: -64.926735
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -12.730
tors. eta vs tors. theta energy: -6.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -81.445766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.445766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.445766 (E_RNA)
where:
Base-Base interactions energy: -27.000
where: short stacking energy: -27.200
Base-Backbone interact. energy: -0.158
local terms energy: -54.288550
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -18.589
flat angles P-C4'-P energy: -6.419
tors. eta vs tors. theta energy: -2.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -240.847657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.847657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.847657 (E_RNA)
where:
Base-Base interactions energy: -158.820
where: short stacking energy: -72.230
Base-Backbone interact. energy: -0.273
local terms energy: -81.754663
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -13.830
flat angles C4'-P-C4' energy: -20.709
flat angles P-C4'-P energy: -12.788
tors. eta vs tors. theta energy: -18.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -257.872601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.872601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.872601 (E_RNA)
where:
Base-Base interactions energy: -169.807
where: short stacking energy: -79.473
Base-Backbone interact. energy: -0.595
local terms energy: -87.470628
where:
bonds (distance) C4'-P energy: -18.170
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -20.020
flat angles P-C4'-P energy: -11.846
tors. eta vs tors. theta energy: -20.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -232.897455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.897455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.897455 (E_RNA)
where:
Base-Base interactions energy: -141.745
where: short stacking energy: -63.668
Base-Backbone interact. energy: -0.129
local terms energy: -91.023830
where:
bonds (distance) C4'-P energy: -20.114
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -17.709
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -22.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -213.747837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.747837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.747837 (E_RNA)
where:
Base-Base interactions energy: -132.089
where: short stacking energy: -74.755
Base-Backbone interact. energy: -0.093
local terms energy: -81.565911
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -18.051
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -13.435
tors. eta vs tors. theta energy: -20.952
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: 5, replica: 8
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -199.040527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.040527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.040527 (E_RNA)
where:
Base-Base interactions energy: -118.491
where: short stacking energy: -61.242
Base-Backbone interact. energy: -0.038
local terms energy: -80.511781
where:
bonds (distance) C4'-P energy: -19.079
bonds (distance) P-C4' energy: -12.841
flat angles C4'-P-C4' energy: -18.244
flat angles P-C4'-P energy: -11.585
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: 6, replica: 3
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -95.549613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.549613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.549613 (E_RNA)
where:
Base-Base interactions energy: -43.870
where: short stacking energy: -29.964
Base-Backbone interact. energy: -0.141
local terms energy: -51.538035
where:
bonds (distance) C4'-P energy: -9.697
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -11.906
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -2.900
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: 5
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -123.565454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.565454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.565454 (E_RNA)
where:
Base-Base interactions energy: -65.759
where: short stacking energy: -26.951
Base-Backbone interact. energy: 1.207
local terms energy: -59.012951
where:
bonds (distance) C4'-P energy: -9.818
bonds (distance) P-C4' energy: -15.224
flat angles C4'-P-C4' energy: -16.520
flat angles P-C4'-P energy: -12.348
tors. eta vs tors. theta energy: -5.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -97.155602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.155602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.155602 (E_RNA)
where:
Base-Base interactions energy: -41.760
where: short stacking energy: -28.722
Base-Backbone interact. energy: -0.387
local terms energy: -55.008341
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -1.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -92.025804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.025804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.025804 (E_RNA)
where:
Base-Base interactions energy: -41.104
where: short stacking energy: -32.286
Base-Backbone interact. energy: -0.591
local terms energy: -50.331414
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -12.513
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -5.812
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: 7
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -84.411975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.411975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.411975 (E_RNA)
where:
Base-Base interactions energy: -29.543
where: short stacking energy: -30.143
Base-Backbone interact. energy: -0.421
local terms energy: -54.448211
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -13.180
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -11.697
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: 1, replica: 10
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -240.399358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.399358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.399358 (E_RNA)
where:
Base-Base interactions energy: -155.941
where: short stacking energy: -63.315
Base-Backbone interact. energy: 0.796
local terms energy: -85.255208
where:
bonds (distance) C4'-P energy: -18.058
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -18.201
flat angles P-C4'-P energy: -15.434
tors. eta vs tors. theta energy: -16.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -253.603910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.603910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.603910 (E_RNA)
where:
Base-Base interactions energy: -166.960
where: short stacking energy: -71.516
Base-Backbone interact. energy: -0.016
local terms energy: -86.627767
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -17.377
flat angles C4'-P-C4' energy: -16.135
flat angles P-C4'-P energy: -14.110
tors. eta vs tors. theta energy: -25.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -229.580585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.580585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.580585 (E_RNA)
where:
Base-Base interactions energy: -156.885
where: short stacking energy: -70.685
Base-Backbone interact. energy: -0.158
local terms energy: -72.537496
where:
bonds (distance) C4'-P energy: -18.135
bonds (distance) P-C4' energy: -6.272
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -19.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -202.338950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.338950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.338950 (E_RNA)
where:
Base-Base interactions energy: -125.425
where: short stacking energy: -63.397
Base-Backbone interact. energy: -0.011
local terms energy: -76.902306
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -13.300
flat angles C4'-P-C4' energy: -17.714
flat angles P-C4'-P energy: -11.286
tors. eta vs tors. theta energy: -19.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -195.419031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.419031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.419031 (E_RNA)
where:
Base-Base interactions energy: -116.426
where: short stacking energy: -52.259
Base-Backbone interact. energy: -0.002
local terms energy: -78.990901
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -20.154
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -15.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -124.075511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.075511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.075511 (E_RNA)
where:
Base-Base interactions energy: -61.593
where: short stacking energy: -19.223
Base-Backbone interact. energy: -2.015
local terms energy: -60.468152
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -13.982
tors. eta vs tors. theta energy: 0.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -87.109821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.109821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.109821 (E_RNA)
where:
Base-Base interactions energy: -35.056
where: short stacking energy: -35.056
Base-Backbone interact. energy: -0.042
local terms energy: -52.012698
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -18.065
flat angles C4'-P-C4' energy: -6.248
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -2.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -96.111015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.111015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.111015 (E_RNA)
where:
Base-Base interactions energy: -43.273
where: short stacking energy: -31.787
Base-Backbone interact. energy: -0.122
local terms energy: -52.715099
where:
bonds (distance) C4'-P energy: -19.209
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -8.998
flat angles P-C4'-P energy: -7.196
tors. eta vs tors. theta energy: -3.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -89.257149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.257149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.257149 (E_RNA)
where:
Base-Base interactions energy: -31.047
where: short stacking energy: -25.123
Base-Backbone interact. energy: -0.873
local terms energy: -57.337293
where:
bonds (distance) C4'-P energy: -15.980
bonds (distance) P-C4' energy: -15.376
flat angles C4'-P-C4' energy: -9.067
flat angles P-C4'-P energy: -12.271
tors. eta vs tors. theta energy: -4.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -86.133279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.133279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.133279 (E_RNA)
where:
Base-Base interactions energy: -31.087
where: short stacking energy: -28.030
Base-Backbone interact. energy: -0.089
local terms energy: -54.957812
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -16.441
flat angles C4'-P-C4' energy: -10.640
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -3.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -255.577689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.577689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.577689 (E_RNA)
where:
Base-Base interactions energy: -168.710
where: short stacking energy: -72.846
Base-Backbone interact. energy: -0.002
local terms energy: -86.865149
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -19.201
flat angles P-C4'-P energy: -14.145
tors. eta vs tors. theta energy: -21.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -232.799841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.799841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.799841 (E_RNA)
where:
Base-Base interactions energy: -158.969
where: short stacking energy: -61.509
Base-Backbone interact. energy: 0.461
local terms energy: -74.292067
where:
bonds (distance) C4'-P energy: -16.344
bonds (distance) P-C4' energy: -18.368
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -12.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -228.958881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.958881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.958881 (E_RNA)
where:
Base-Base interactions energy: -147.420
where: short stacking energy: -62.955
Base-Backbone interact. energy: 0.434
local terms energy: -81.973135
where:
bonds (distance) C4'-P energy: -14.858
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -17.743
flat angles P-C4'-P energy: -13.109
tors. eta vs tors. theta energy: -16.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -204.137501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.137501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.137501 (E_RNA)
where:
Base-Base interactions energy: -122.886
where: short stacking energy: -60.277
Base-Backbone interact. energy: -0.354
local terms energy: -80.897899
where:
bonds (distance) C4'-P energy: -19.270
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -14.156
tors. eta vs tors. theta energy: -17.208
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: 5
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -110.789303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.789303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.789303 (E_RNA)
where:
Base-Base interactions energy: -63.403
where: short stacking energy: -37.333
Base-Backbone interact. energy: 0.615
local terms energy: -48.001957
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -16.978
flat angles C4'-P-C4' energy: -10.736
flat angles P-C4'-P energy: -2.361
tors. eta vs tors. theta energy: -5.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -186.241864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.241864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.241864 (E_RNA)
where:
Base-Base interactions energy: -112.340
where: short stacking energy: -49.045
Base-Backbone interact. energy: 1.359
local terms energy: -75.261416
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -18.124
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: -16.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -97.980420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.980420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.980420 (E_RNA)
where:
Base-Base interactions energy: -53.098
where: short stacking energy: -25.107
Base-Backbone interact. energy: -1.184
local terms energy: -43.698527
where:
bonds (distance) C4'-P energy: -9.444
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -7.944
tors. eta vs tors. theta energy: 1.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -82.387010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.387010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.387010 (E_RNA)
where:
Base-Base interactions energy: -24.580
where: short stacking energy: -24.580
Base-Backbone interact. energy: 0.438
local terms energy: -58.244789
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -16.767
flat angles C4'-P-C4' energy: -18.908
flat angles P-C4'-P energy: -4.676
tors. eta vs tors. theta energy: -3.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -85.558625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.558625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.558625 (E_RNA)
where:
Base-Base interactions energy: -32.004
where: short stacking energy: -19.643
Base-Backbone interact. energy: -0.145
local terms energy: -53.409669
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -1.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -83.563099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.563099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.563099 (E_RNA)
where:
Base-Base interactions energy: -28.215
where: short stacking energy: -28.215
Base-Backbone interact. energy: -0.164
local terms energy: -55.184454
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -18.016
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -9.491
tors. eta vs tors. theta energy: 0.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -252.920787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.920787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.920787 (E_RNA)
where:
Base-Base interactions energy: -164.561
where: short stacking energy: -77.943
Base-Backbone interact. energy: -0.006
local terms energy: -88.353712
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -19.269
flat angles C4'-P-C4' energy: -18.701
flat angles P-C4'-P energy: -14.549
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: 2, replica: 10
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -229.733016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.733016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.733016 (E_RNA)
where:
Base-Base interactions energy: -149.162
where: short stacking energy: -63.189
Base-Backbone interact. energy: -0.318
local terms energy: -80.252686
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -20.457
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -15.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -228.462229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.462229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.462229 (E_RNA)
where:
Base-Base interactions energy: -154.488
where: short stacking energy: -68.510
Base-Backbone interact. energy: -0.497
local terms energy: -73.476291
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -11.468
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: 4, replica: 8
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -209.478141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.478141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.478141 (E_RNA)
where:
Base-Base interactions energy: -124.733
where: short stacking energy: -60.942
Base-Backbone interact. energy: -0.075
local terms energy: -84.669778
where:
bonds (distance) C4'-P energy: -16.422
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -19.126
flat angles P-C4'-P energy: -12.570
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: 5, replica: 5
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -118.332208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.332208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.332208 (E_RNA)
where:
Base-Base interactions energy: -61.931
where: short stacking energy: -43.782
Base-Backbone interact. energy: -0.095
local terms energy: -56.306637
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -7.707
tors. eta vs tors. theta energy: -7.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -184.242233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.242233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.242233 (E_RNA)
where:
Base-Base interactions energy: -113.747
where: short stacking energy: -55.194
Base-Backbone interact. energy: -0.042
local terms energy: -70.453323
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -11.189
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: 3
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -94.840894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.840894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.840894 (E_RNA)
where:
Base-Base interactions energy: -40.273
where: short stacking energy: -25.718
Base-Backbone interact. energy: 0.026
local terms energy: -54.594193
where:
bonds (distance) C4'-P energy: -17.316
bonds (distance) P-C4' energy: -12.390
flat angles C4'-P-C4' energy: -10.748
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -3.347
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: 7
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -90.680867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.680867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.680867 (E_RNA)
where:
Base-Base interactions energy: -24.673
where: short stacking energy: -24.673
Base-Backbone interact. energy: -0.398
local terms energy: -65.609629
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -19.046
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -11.516
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: 9
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -82.674356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.674356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.674356 (E_RNA)
where:
Base-Base interactions energy: -25.818
where: short stacking energy: -14.262
Base-Backbone interact. energy: 0.068
local terms energy: -56.924306
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -19.592
flat angles C4'-P-C4' energy: -9.818
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -3.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -80.041914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.041914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.041914 (E_RNA)
where:
Base-Base interactions energy: -33.460
where: short stacking energy: -26.801
Base-Backbone interact. energy: -0.039
local terms energy: -46.542927
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -11.664
flat angles P-C4'-P energy: -4.977
tors. eta vs tors. theta energy: -1.627
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: 88
Temperature: 0.900000
Total energy: -236.539701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.539701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.539701 (E_RNA)
where:
Base-Base interactions energy: -154.066
where: short stacking energy: -65.727
Base-Backbone interact. energy: -0.135
local terms energy: -82.338627
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -17.036
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -15.667
tors. eta vs tors. theta energy: -19.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -246.655397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.655397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.655397 (E_RNA)
where:
Base-Base interactions energy: -162.630
where: short stacking energy: -77.625
Base-Backbone interact. energy: -0.740
local terms energy: -83.285592
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -18.262
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -22.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -209.635710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.635710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.635710 (E_RNA)
where:
Base-Base interactions energy: -126.435
where: short stacking energy: -69.399
Base-Backbone interact. energy: -1.070
local terms energy: -82.131444
where:
bonds (distance) C4'-P energy: -16.657
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -18.402
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: -22.293
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: 1
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -227.097338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.097338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.097338 (E_RNA)
where:
Base-Base interactions energy: -151.430
where: short stacking energy: -64.411
Base-Backbone interact. energy: -0.249
local terms energy: -75.418467
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -17.790
flat angles C4'-P-C4' energy: -19.301
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -14.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -188.867109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.867109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.867109 (E_RNA)
where:
Base-Base interactions energy: -122.166
where: short stacking energy: -56.918
Base-Backbone interact. energy: -0.459
local terms energy: -66.241935
where:
bonds (distance) C4'-P energy: -12.581
bonds (distance) P-C4' energy: -16.651
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -11.439
tors. eta vs tors. theta energy: -11.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -107.102481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.102481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.102481 (E_RNA)
where:
Base-Base interactions energy: -47.646
where: short stacking energy: -41.695
Base-Backbone interact. energy: -0.135
local terms energy: -59.322091
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -11.005
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -4.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -91.276983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.276983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.276983 (E_RNA)
where:
Base-Base interactions energy: -32.237
where: short stacking energy: -12.924
Base-Backbone interact. energy: -0.671
local terms energy: -58.369585
where:
bonds (distance) C4'-P energy: -19.059
bonds (distance) P-C4' energy: -18.097
flat angles C4'-P-C4' energy: -10.951
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -1.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -85.581491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.581491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.581491 (E_RNA)
where:
Base-Base interactions energy: -32.709
where: short stacking energy: -28.510
Base-Backbone interact. energy: -0.575
local terms energy: -52.296800
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -9.896
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -2.841
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: 2
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -91.520311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.520311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.520311 (E_RNA)
where:
Base-Base interactions energy: -38.954
where: short stacking energy: -25.006
Base-Backbone interact. energy: -0.273
local terms energy: -52.292782
where:
bonds (distance) C4'-P energy: -11.094
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: -0.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -75.457586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.457586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.457586 (E_RNA)
where:
Base-Base interactions energy: -20.331
where: short stacking energy: -20.217
Base-Backbone interact. energy: -0.390
local terms energy: -54.736063
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -10.850
flat angles P-C4'-P energy: -13.800
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: 1, replica: 10
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -242.359305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.359305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.359305 (E_RNA)
where:
Base-Base interactions energy: -168.099
where: short stacking energy: -51.561
Base-Backbone interact. energy: -0.775
local terms energy: -73.485243
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -16.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -254.728734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.728734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.728734 (E_RNA)
where:
Base-Base interactions energy: -165.881
where: short stacking energy: -76.755
Base-Backbone interact. energy: -0.009
local terms energy: -88.838956
where:
bonds (distance) C4'-P energy: -21.000
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -11.304
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: 3, replica: 8
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -204.143134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.143134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.143134 (E_RNA)
where:
Base-Base interactions energy: -129.680
where: short stacking energy: -69.536
Base-Backbone interact. energy: -0.065
local terms energy: -74.398263
where:
bonds (distance) C4'-P energy: -17.912
bonds (distance) P-C4' energy: -13.659
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -16.894
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: 1
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -233.005954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.005954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.005954 (E_RNA)
where:
Base-Base interactions energy: -151.279
where: short stacking energy: -73.924
Base-Backbone interact. energy: -0.106
local terms energy: -81.621304
where:
bonds (distance) C4'-P energy: -18.488
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -17.122
flat angles P-C4'-P energy: -14.094
tors. eta vs tors. theta energy: -16.736
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: 4
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -201.613198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.613198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.613198 (E_RNA)
where:
Base-Base interactions energy: -125.347
where: short stacking energy: -58.744
Base-Backbone interact. energy: -0.068
local terms energy: -76.198894
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -18.063
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: -16.474
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: 6, replica: 7
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -100.781423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.781423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.781423 (E_RNA)
where:
Base-Base interactions energy: -37.850
where: short stacking energy: -37.850
Base-Backbone interact. energy: -0.041
local terms energy: -62.890252
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -19.786
flat angles C4'-P-C4' energy: -8.043
flat angles P-C4'-P energy: -12.041
tors. eta vs tors. theta energy: -6.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -93.591108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.591108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.591108 (E_RNA)
where:
Base-Base interactions energy: -39.758
where: short stacking energy: -30.109
Base-Backbone interact. energy: -0.179
local terms energy: -53.654293
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -19.754
flat angles C4'-P-C4' energy: -7.421
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -3.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -85.969112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.969112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.969112 (E_RNA)
where:
Base-Base interactions energy: -32.211
where: short stacking energy: -29.673
Base-Backbone interact. energy: -0.461
local terms energy: -53.296691
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -16.437
flat angles C4'-P-C4' energy: -9.172
flat angles P-C4'-P energy: -9.056
tors. eta vs tors. theta energy: -3.345
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: 9, replica: 3
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -91.047017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.047017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.047017 (E_RNA)
where:
Base-Base interactions energy: -37.630
where: short stacking energy: -34.784
Base-Backbone interact. energy: -0.107
local terms energy: -53.309754
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -9.265
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -1.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -84.981283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.981283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.981283 (E_RNA)
where:
Base-Base interactions energy: -36.634
where: short stacking energy: -17.778
Base-Backbone interact. energy: -1.294
local terms energy: -47.053537
where:
bonds (distance) C4'-P energy: -17.577
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -9.970
flat angles P-C4'-P energy: -1.845
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: 1, replica: 6
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -256.141515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.141515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.141515 (E_RNA)
where:
Base-Base interactions energy: -166.166
where: short stacking energy: -79.027
Base-Backbone interact. energy: -0.011
local terms energy: -89.964709
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -18.639
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -13.787
tors. eta vs tors. theta energy: -27.220
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: 10
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -226.415747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.415747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.415747 (E_RNA)
where:
Base-Base interactions energy: -151.098
where: short stacking energy: -56.940
Base-Backbone interact. energy: 0.645
local terms energy: -75.962721
where:
bonds (distance) C4'-P energy: -17.837
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -19.146
flat angles P-C4'-P energy: -12.601
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: 3, replica: 1
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -226.298027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.298027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.298027 (E_RNA)
where:
Base-Base interactions energy: -156.032
where: short stacking energy: -66.831
Base-Backbone interact. energy: -0.076
local terms energy: -70.190439
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -6.576
tors. eta vs tors. theta energy: -19.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -203.191673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.191673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.191673 (E_RNA)
where:
Base-Base interactions energy: -123.057
where: short stacking energy: -63.539
Base-Backbone interact. energy: -0.057
local terms energy: -80.077266
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -18.502
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: -18.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -194.823265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.823265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.823265 (E_RNA)
where:
Base-Base interactions energy: -121.353
where: short stacking energy: -62.147
Base-Backbone interact. energy: -0.011
local terms energy: -73.459685
where:
bonds (distance) C4'-P energy: -11.775
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -20.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -103.042088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.042088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.042088 (E_RNA)
where:
Base-Base interactions energy: -49.953
where: short stacking energy: -34.206
Base-Backbone interact. energy: -0.310
local terms energy: -52.779344
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -9.790
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: -0.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -99.760046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.760046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.760046 (E_RNA)
where:
Base-Base interactions energy: -32.177
where: short stacking energy: -32.177
Base-Backbone interact. energy: 2.171
local terms energy: -69.754059
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -19.191
flat angles C4'-P-C4' energy: -12.162
flat angles P-C4'-P energy: -13.406
tors. eta vs tors. theta energy: -9.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -97.828321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.828321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.828321 (E_RNA)
where:
Base-Base interactions energy: -54.059
where: short stacking energy: -37.931
Base-Backbone interact. energy: -0.073
local terms energy: -43.696300
where:
bonds (distance) C4'-P energy: -9.089
bonds (distance) P-C4' energy: -15.718
flat angles C4'-P-C4' energy: -8.400
flat angles P-C4'-P energy: -6.545
tors. eta vs tors. theta energy: -3.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -91.471105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.471105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.471105 (E_RNA)
where:
Base-Base interactions energy: -32.525
where: short stacking energy: -28.563
Base-Backbone interact. energy: -0.232
local terms energy: -58.714336
where:
bonds (distance) C4'-P energy: -13.690
bonds (distance) P-C4' energy: -18.163
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -4.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -82.241957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.241957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.241957 (E_RNA)
where:
Base-Base interactions energy: -21.986
where: short stacking energy: -21.986
Base-Backbone interact. energy: -0.081
local terms energy: -60.175215
where:
bonds (distance) C4'-P energy: -18.815
bonds (distance) P-C4' energy: -19.472
flat angles C4'-P-C4' energy: -10.550
flat angles P-C4'-P energy: -8.030
tors. eta vs tors. theta energy: -3.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -263.684732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.684732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.684732 (E_RNA)
where:
Base-Base interactions energy: -174.538
where: short stacking energy: -84.112
Base-Backbone interact. energy: -0.152
local terms energy: -88.994144
where:
bonds (distance) C4'-P energy: -19.145
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -11.057
tors. eta vs tors. theta energy: -25.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -234.473024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.473024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.473024 (E_RNA)
where:
Base-Base interactions energy: -147.656
where: short stacking energy: -68.271
Base-Backbone interact. energy: 0.066
local terms energy: -86.882381
where:
bonds (distance) C4'-P energy: -19.281
bonds (distance) P-C4' energy: -19.171
flat angles C4'-P-C4' energy: -18.040
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -19.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -231.673133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.673133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.673133 (E_RNA)
where:
Base-Base interactions energy: -148.642
where: short stacking energy: -64.388
Base-Backbone interact. energy: -0.157
local terms energy: -82.874549
where:
bonds (distance) C4'-P energy: -15.913
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -20.155
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -19.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -204.935987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.935987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.935987 (E_RNA)
where:
Base-Base interactions energy: -124.164
where: short stacking energy: -67.408
Base-Backbone interact. energy: -0.137
local terms energy: -80.635137
where:
bonds (distance) C4'-P energy: -16.673
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -14.308
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: 5, replica: 8
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -192.720083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.720083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.720083 (E_RNA)
where:
Base-Base interactions energy: -113.122
where: short stacking energy: -59.677
Base-Backbone interact. energy: -0.108
local terms energy: -79.489613
where:
bonds (distance) C4'-P energy: -16.934
bonds (distance) P-C4' energy: -17.451
flat angles C4'-P-C4' energy: -18.834
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -16.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -91.219285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.219285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.219285 (E_RNA)
where:
Base-Base interactions energy: -40.500
where: short stacking energy: -28.868
Base-Backbone interact. energy: 0.995
local terms energy: -51.714982
where:
bonds (distance) C4'-P energy: -9.868
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -4.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -108.252644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.252644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.252644 (E_RNA)
where:
Base-Base interactions energy: -46.977
where: short stacking energy: -31.200
Base-Backbone interact. energy: 1.395
local terms energy: -62.670891
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -10.976
tors. eta vs tors. theta energy: -3.827
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: 8, replica: 3
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -88.614222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.614222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.614222 (E_RNA)
where:
Base-Base interactions energy: -35.347
where: short stacking energy: -30.855
Base-Backbone interact. energy: -0.362
local terms energy: -52.905549
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: -1.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -90.871146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.871146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.871146 (E_RNA)
where:
Base-Base interactions energy: -31.147
where: short stacking energy: -31.147
Base-Backbone interact. energy: -0.428
local terms energy: -59.296752
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -19.543
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -5.981
tors. eta vs tors. theta energy: -2.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -76.348099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.348099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.348099 (E_RNA)
where:
Base-Base interactions energy: -29.458
where: short stacking energy: -18.104
Base-Backbone interact. energy: -0.115
local terms energy: -46.775018
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -4.370
tors. eta vs tors. theta energy: 5.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -262.033534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.033534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.033534 (E_RNA)
where:
Base-Base interactions energy: -171.526
where: short stacking energy: -81.457
Base-Backbone interact. energy: -0.122
local terms energy: -90.385671
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -19.562
flat angles P-C4'-P energy: -13.209
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: 2, replica: 1
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -234.391607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.391607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.391607 (E_RNA)
where:
Base-Base interactions energy: -151.163
where: short stacking energy: -69.746
Base-Backbone interact. energy: -0.239
local terms energy: -82.989374
where:
bonds (distance) C4'-P energy: -18.259
bonds (distance) P-C4' energy: -18.247
flat angles C4'-P-C4' energy: -17.545
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -18.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -225.385294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.385294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.385294 (E_RNA)
where:
Base-Base interactions energy: -152.080
where: short stacking energy: -58.420
Base-Backbone interact. energy: -0.114
local terms energy: -73.191158
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -14.702
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -14.739
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: 4, replica: 4
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -189.802168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.802168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.802168 (E_RNA)
where:
Base-Base interactions energy: -115.712
where: short stacking energy: -51.776
Base-Backbone interact. energy: -0.088
local terms energy: -74.001817
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -18.834
flat angles C4'-P-C4' energy: -18.528
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -13.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -195.428472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.428472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.428472 (E_RNA)
where:
Base-Base interactions energy: -124.352
where: short stacking energy: -65.423
Base-Backbone interact. energy: -0.022
local terms energy: -71.054123
where:
bonds (distance) C4'-P energy: -11.447
bonds (distance) P-C4' energy: -17.353
flat angles C4'-P-C4' energy: -10.595
flat angles P-C4'-P energy: -12.939
tors. eta vs tors. theta energy: -18.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -100.155495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.155495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.155495 (E_RNA)
where:
Base-Base interactions energy: -45.396
where: short stacking energy: -37.391
Base-Backbone interact. energy: -0.551
local terms energy: -54.208149
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -9.142
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -5.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -111.517283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.517283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.517283 (E_RNA)
where:
Base-Base interactions energy: -45.544
where: short stacking energy: -45.544
Base-Backbone interact. energy: -0.548
local terms energy: -65.425906
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -17.827
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -6.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -91.386717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.386717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.386717 (E_RNA)
where:
Base-Base interactions energy: -36.034
where: short stacking energy: -23.178
Base-Backbone interact. energy: -0.113
local terms energy: -55.239125
where:
bonds (distance) C4'-P energy: -17.448
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -6.831
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -2.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -89.686763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.686763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.686763 (E_RNA)
where:
Base-Base interactions energy: -38.479
where: short stacking energy: -38.289
Base-Backbone interact. energy: -0.007
local terms energy: -51.200503
where:
bonds (distance) C4'-P energy: -13.086
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -12.559
flat angles P-C4'-P energy: -5.938
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: 10, replica: 5
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -84.138053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.138053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.138053 (E_RNA)
where:
Base-Base interactions energy: -28.347
where: short stacking energy: -23.385
Base-Backbone interact. energy: -0.211
local terms energy: -55.579956
where:
bonds (distance) C4'-P energy: -17.779
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -5.698
tors. eta vs tors. theta energy: -0.842
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: 6
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -259.830456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.830456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.830456 (E_RNA)
where:
Base-Base interactions energy: -170.922
where: short stacking energy: -84.935
Base-Backbone interact. energy: -0.006
local terms energy: -88.901796
where:
bonds (distance) C4'-P energy: -20.052
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -12.214
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: 2, replica: 10
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -228.502270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.502270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.502270 (E_RNA)
where:
Base-Base interactions energy: -154.049
where: short stacking energy: -71.013
Base-Backbone interact. energy: 2.432
local terms energy: -76.884705
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -12.315
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: -19.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -234.485969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.485969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.485969 (E_RNA)
where:
Base-Base interactions energy: -158.932
where: short stacking energy: -73.504
Base-Backbone interact. energy: -0.123
local terms energy: -75.431596
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -17.065
flat angles C4'-P-C4' energy: -18.381
flat angles P-C4'-P energy: -6.106
tors. eta vs tors. theta energy: -17.599
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: 8
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -196.023384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.023384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.023384 (E_RNA)
where:
Base-Base interactions energy: -119.036
where: short stacking energy: -47.722
Base-Backbone interact. energy: -0.642
local terms energy: -76.345944
where:
bonds (distance) C4'-P energy: -17.894
bonds (distance) P-C4' energy: -19.181
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -14.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -183.800270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.800270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.800270 (E_RNA)
where:
Base-Base interactions energy: -111.444
where: short stacking energy: -49.307
Base-Backbone interact. energy: -0.094
local terms energy: -72.262152
where:
bonds (distance) C4'-P energy: -18.889
bonds (distance) P-C4' energy: -17.501
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -12.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -93.806825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.806825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.806825 (E_RNA)
where:
Base-Base interactions energy: -39.057
where: short stacking energy: -17.898
Base-Backbone interact. energy: -0.216
local terms energy: -54.533880
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -16.717
flat angles C4'-P-C4' energy: -10.953
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -2.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -89.396413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.396413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.396413 (E_RNA)
where:
Base-Base interactions energy: -34.728
where: short stacking energy: -34.728
Base-Backbone interact. energy: -0.320
local terms energy: -54.348484
where:
bonds (distance) C4'-P energy: -17.494
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -11.893
flat angles P-C4'-P energy: -8.540
tors. eta vs tors. theta energy: -3.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -93.862066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.862066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.862066 (E_RNA)
where:
Base-Base interactions energy: -30.789
where: short stacking energy: -30.789
Base-Backbone interact. energy: -0.042
local terms energy: -63.031492
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -17.882
flat angles C4'-P-C4' energy: -15.430
flat angles P-C4'-P energy: -7.714
tors. eta vs tors. theta energy: -5.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -77.524986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.524986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.524986 (E_RNA)
where:
Base-Base interactions energy: -33.091
where: short stacking energy: -30.789
Base-Backbone interact. energy: -0.136
local terms energy: -44.298464
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -15.221
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -1.270
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: 5
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -79.583467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.583467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.583467 (E_RNA)
where:
Base-Base interactions energy: -27.386
where: short stacking energy: -18.253
Base-Backbone interact. energy: -0.210
local terms energy: -51.987450
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -12.593
flat angles P-C4'-P energy: -5.810
tors. eta vs tors. theta energy: -1.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -239.702565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.702565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.702565 (E_RNA)
where:
Base-Base interactions energy: -162.087
where: short stacking energy: -65.904
Base-Backbone interact. energy: -0.217
local terms energy: -77.398125
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -20.659
flat angles C4'-P-C4' energy: -16.261
flat angles P-C4'-P energy: -9.745
tors. eta vs tors. theta energy: -16.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -249.479058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.479058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.479058 (E_RNA)
where:
Base-Base interactions energy: -164.590
where: short stacking energy: -77.817
Base-Backbone interact. energy: -0.202
local terms energy: -84.686344
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -18.262
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -13.054
tors. eta vs tors. theta energy: -23.802
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: 1
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -230.393077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.393077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.393077 (E_RNA)
where:
Base-Base interactions energy: -144.190
where: short stacking energy: -68.017
Base-Backbone interact. energy: -0.366
local terms energy: -85.836930
where:
bonds (distance) C4'-P energy: -15.745
bonds (distance) P-C4' energy: -13.591
flat angles C4'-P-C4' energy: -21.054
flat angles P-C4'-P energy: -15.143
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: 4, replica: 8
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -209.330321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.330321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.330321 (E_RNA)
where:
Base-Base interactions energy: -124.677
where: short stacking energy: -65.585
Base-Backbone interact. energy: -0.148
local terms energy: -84.505854
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -18.545
flat angles C4'-P-C4' energy: -18.131
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -19.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -188.677239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.677239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.677239 (E_RNA)
where:
Base-Base interactions energy: -117.810
where: short stacking energy: -48.448
Base-Backbone interact. energy: -0.132
local terms energy: -70.734959
where:
bonds (distance) C4'-P energy: -18.267
bonds (distance) P-C4' energy: -14.010
flat angles C4'-P-C4' energy: -18.801
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -9.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -115.221337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.221337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.221337 (E_RNA)
where:
Base-Base interactions energy: -58.376
where: short stacking energy: -30.159
Base-Backbone interact. energy: -0.202
local terms energy: -56.643024
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -16.581
flat angles C4'-P-C4' energy: -9.937
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -5.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -96.027704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.027704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.027704 (E_RNA)
where:
Base-Base interactions energy: -37.125
where: short stacking energy: -36.170
Base-Backbone interact. energy: 0.403
local terms energy: -59.304792
where:
bonds (distance) C4'-P energy: -11.201
bonds (distance) P-C4' energy: -19.747
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -4.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -95.232440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.232440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.232440 (E_RNA)
where:
Base-Base interactions energy: -39.144
where: short stacking energy: -28.174
Base-Backbone interact. energy: -0.073
local terms energy: -56.015494
where:
bonds (distance) C4'-P energy: -19.009
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -13.901
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: 4.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -83.983237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.983237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.983237 (E_RNA)
where:
Base-Base interactions energy: -35.251
where: short stacking energy: -21.263
Base-Backbone interact. energy: -0.307
local terms energy: -48.425948
where:
bonds (distance) C4'-P energy: -18.729
bonds (distance) P-C4' energy: -11.199
flat angles C4'-P-C4' energy: -16.102
flat angles P-C4'-P energy: -9.677
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: 94
Temperature: 1.350000
Total energy: -81.923241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.923241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.923241 (E_RNA)
where:
Base-Base interactions energy: -27.175
where: short stacking energy: -22.136
Base-Backbone interact. energy: -0.238
local terms energy: -54.510099
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -16.677
flat angles C4'-P-C4' energy: -9.059
flat angles P-C4'-P energy: -11.641
tors. eta vs tors. theta energy: -0.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -247.574665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.574665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.574665 (E_RNA)
where:
Base-Base interactions energy: -166.997
where: short stacking energy: -69.875
Base-Backbone interact. energy: 1.188
local terms energy: -81.765840
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -18.399
flat angles C4'-P-C4' energy: -16.919
flat angles P-C4'-P energy: -12.208
tors. eta vs tors. theta energy: -19.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -233.520431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.520431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.520431 (E_RNA)
where:
Base-Base interactions energy: -158.666
where: short stacking energy: -64.640
Base-Backbone interact. energy: 0.293
local terms energy: -75.147868
where:
bonds (distance) C4'-P energy: -17.188
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -16.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -239.620219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.620219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.620219 (E_RNA)
where:
Base-Base interactions energy: -160.202
where: short stacking energy: -70.175
Base-Backbone interact. energy: -0.056
local terms energy: -79.361713
where:
bonds (distance) C4'-P energy: -15.743
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -16.029
flat angles P-C4'-P energy: -11.228
tors. eta vs tors. theta energy: -21.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -199.979942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.979942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.979942 (E_RNA)
where:
Base-Base interactions energy: -126.970
where: short stacking energy: -64.144
Base-Backbone interact. energy: -0.040
local terms energy: -72.969973
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -17.754
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -5.673
tors. eta vs tors. theta energy: -18.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -190.786563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.786563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.786563 (E_RNA)
where:
Base-Base interactions energy: -115.530
where: short stacking energy: -54.715
Base-Backbone interact. energy: -0.113
local terms energy: -75.143854
where:
bonds (distance) C4'-P energy: -10.945
bonds (distance) P-C4' energy: -19.430
flat angles C4'-P-C4' energy: -16.751
flat angles P-C4'-P energy: -11.368
tors. eta vs tors. theta energy: -16.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -131.736793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.736793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.736793 (E_RNA)
where:
Base-Base interactions energy: -70.238
where: short stacking energy: -44.030
Base-Backbone interact. energy: 1.307
local terms energy: -62.805801
where:
bonds (distance) C4'-P energy: -20.089
bonds (distance) P-C4' energy: -16.570
flat angles C4'-P-C4' energy: -6.842
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -10.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -115.279778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.279778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.279778 (E_RNA)
where:
Base-Base interactions energy: -46.326
where: short stacking energy: -41.465
Base-Backbone interact. energy: -0.267
local terms energy: -68.686626
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -20.316
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -12.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -91.249528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.249528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.249528 (E_RNA)
where:
Base-Base interactions energy: -35.958
where: short stacking energy: -27.608
Base-Backbone interact. energy: -0.137
local terms energy: -55.154176
where:
bonds (distance) C4'-P energy: -9.896
bonds (distance) P-C4' energy: -17.612
flat angles C4'-P-C4' energy: -11.799
flat angles P-C4'-P energy: -7.216
tors. eta vs tors. theta energy: -8.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -88.037702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.037702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.037702 (E_RNA)
where:
Base-Base interactions energy: -37.127
where: short stacking energy: -22.784
Base-Backbone interact. energy: -0.157
local terms energy: -50.753830
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -18.322
flat angles C4'-P-C4' energy: -12.679
flat angles P-C4'-P energy: -4.835
tors. eta vs tors. theta energy: 1.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -91.998984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.998984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.998984 (E_RNA)
where:
Base-Base interactions energy: -29.486
where: short stacking energy: -25.303
Base-Backbone interact. energy: -0.109
local terms energy: -62.404461
where:
bonds (distance) C4'-P energy: -16.499
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -17.269
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -6.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -242.403300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.403300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.403300 (E_RNA)
where:
Base-Base interactions energy: -158.480
where: short stacking energy: -68.912
Base-Backbone interact. energy: -0.124
local terms energy: -83.799708
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -19.976
flat angles C4'-P-C4' energy: -19.751
flat angles P-C4'-P energy: -13.124
tors. eta vs tors. theta energy: -17.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -252.513524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.513524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.513524 (E_RNA)
where:
Base-Base interactions energy: -175.200
where: short stacking energy: -66.980
Base-Backbone interact. energy: 0.819
local terms energy: -78.133035
where:
bonds (distance) C4'-P energy: -15.814
bonds (distance) P-C4' energy: -19.545
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: -16.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -241.576366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.576366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.576366 (E_RNA)
where:
Base-Base interactions energy: -158.924
where: short stacking energy: -64.069
Base-Backbone interact. energy: -0.060
local terms energy: -82.592518
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -17.427
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -19.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -198.208555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.208555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.208555 (E_RNA)
where:
Base-Base interactions energy: -120.050
where: short stacking energy: -55.522
Base-Backbone interact. energy: -0.026
local terms energy: -78.132886
where:
bonds (distance) C4'-P energy: -19.734
bonds (distance) P-C4' energy: -14.500
flat angles C4'-P-C4' energy: -20.438
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: -14.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -184.161980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.161980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.161980 (E_RNA)
where:
Base-Base interactions energy: -120.513
where: short stacking energy: -62.982
Base-Backbone interact. energy: -0.900
local terms energy: -62.748721
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -12.604
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -10.500
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: 3
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -134.198645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.198645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.198645 (E_RNA)
where:
Base-Base interactions energy: -68.607
where: short stacking energy: -31.290
Base-Backbone interact. energy: -0.085
local terms energy: -65.507091
where:
bonds (distance) C4'-P energy: -18.450
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -11.151
flat angles P-C4'-P energy: -10.579
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: 7, replica: 2
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -90.904048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.904048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.904048 (E_RNA)
where:
Base-Base interactions energy: -37.699
where: short stacking energy: -24.471
Base-Backbone interact. energy: -0.324
local terms energy: -52.880891
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -19.206
flat angles C4'-P-C4' energy: -12.816
flat angles P-C4'-P energy: -7.024
tors. eta vs tors. theta energy: 0.170
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: 8, replica: 9
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -98.529021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.529021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.529021 (E_RNA)
where:
Base-Base interactions energy: -42.687
where: short stacking energy: -17.933
Base-Backbone interact. energy: 0.546
local terms energy: -56.387720
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -18.121
flat angles C4'-P-C4' energy: -11.769
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -0.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -83.582563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.582563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.582563 (E_RNA)
where:
Base-Base interactions energy: -26.973
where: short stacking energy: -26.973
Base-Backbone interact. energy: -0.114
local terms energy: -56.495461
where:
bonds (distance) C4'-P energy: -9.078
bonds (distance) P-C4' energy: -19.877
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -9.390
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: 10, replica: 5
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -82.435332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.435332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.435332 (E_RNA)
where:
Base-Base interactions energy: -20.972
where: short stacking energy: -19.115
Base-Backbone interact. energy: -0.107
local terms energy: -61.356389
where:
bonds (distance) C4'-P energy: -15.570
bonds (distance) P-C4' energy: -17.311
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: -1.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -237.083853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.083853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.083853 (E_RNA)
where:
Base-Base interactions energy: -148.901
where: short stacking energy: -63.100
Base-Backbone interact. energy: 0.548
local terms energy: -88.731204
where:
bonds (distance) C4'-P energy: -19.594
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -18.213
flat angles P-C4'-P energy: -15.485
tors. eta vs tors. theta energy: -17.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -236.347217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.347217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.347217 (E_RNA)
where:
Base-Base interactions energy: -150.820
where: short stacking energy: -69.018
Base-Backbone interact. energy: -0.104
local terms energy: -85.423102
where:
bonds (distance) C4'-P energy: -17.034
bonds (distance) P-C4' energy: -20.137
flat angles C4'-P-C4' energy: -19.328
flat angles P-C4'-P energy: -9.825
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: 3, replica: 10
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -229.059173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.059173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.059173 (E_RNA)
where:
Base-Base interactions energy: -149.842
where: short stacking energy: -66.019
Base-Backbone interact. energy: -0.702
local terms energy: -78.514714
where:
bonds (distance) C4'-P energy: -11.889
bonds (distance) P-C4' energy: -19.768
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -12.192
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: 4
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -190.872603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.872603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.872603 (E_RNA)
where:
Base-Base interactions energy: -115.109
where: short stacking energy: -53.371
Base-Backbone interact. energy: -0.039
local terms energy: -75.724930
where:
bonds (distance) C4'-P energy: -9.918
bonds (distance) P-C4' energy: -17.222
flat angles C4'-P-C4' energy: -18.205
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -19.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -195.755834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.755834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.755834 (E_RNA)
where:
Base-Base interactions energy: -119.275
where: short stacking energy: -55.324
Base-Backbone interact. energy: -0.120
local terms energy: -76.360313
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -17.567
flat angles P-C4'-P energy: -11.858
tors. eta vs tors. theta energy: -15.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -99.146000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.146000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.146000 (E_RNA)
where:
Base-Base interactions energy: -34.188
where: short stacking energy: -31.538
Base-Backbone interact. energy: -2.883
local terms energy: -62.075417
where:
bonds (distance) C4'-P energy: -16.363
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -7.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -130.313306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.313306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.313306 (E_RNA)
where:
Base-Base interactions energy: -74.550
where: short stacking energy: -34.912
Base-Backbone interact. energy: -0.301
local terms energy: -55.462350
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -9.997
flat angles C4'-P-C4' energy: -15.476
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -7.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -110.232780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.232780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.232780 (E_RNA)
where:
Base-Base interactions energy: -51.430
where: short stacking energy: -31.518
Base-Backbone interact. energy: -0.173
local terms energy: -58.629258
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -19.017
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -1.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -80.396518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.396518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.396518 (E_RNA)
where:
Base-Base interactions energy: -37.055
where: short stacking energy: -20.239
Base-Backbone interact. energy: 1.329
local terms energy: -44.670315
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -9.510
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: 6.005
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: 5
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -92.200798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.200798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.200798 (E_RNA)
where:
Base-Base interactions energy: -30.335
where: short stacking energy: -30.335
Base-Backbone interact. energy: -0.278
local terms energy: -61.588041
where:
bonds (distance) C4'-P energy: -18.085
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -3.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -252.376006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.376006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.376006 (E_RNA)
where:
Base-Base interactions energy: -165.065
where: short stacking energy: -75.020
Base-Backbone interact. energy: -0.101
local terms energy: -87.210264
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -19.513
flat angles C4'-P-C4' energy: -19.293
flat angles P-C4'-P energy: -8.695
tors. eta vs tors. theta energy: -22.827
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: 1
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -230.672527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.672527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.672527 (E_RNA)
where:
Base-Base interactions energy: -149.149
where: short stacking energy: -62.385
Base-Backbone interact. energy: -0.072
local terms energy: -81.451487
where:
bonds (distance) C4'-P energy: -14.286
bonds (distance) P-C4' energy: -20.190
flat angles C4'-P-C4' energy: -17.274
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -18.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -226.968544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.968544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.968544 (E_RNA)
where:
Base-Base interactions energy: -143.432
where: short stacking energy: -61.555
Base-Backbone interact. energy: -0.115
local terms energy: -83.420866
where:
bonds (distance) C4'-P energy: -19.344
bonds (distance) P-C4' energy: -18.093
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: -17.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -194.613594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.613594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.613594 (E_RNA)
where:
Base-Base interactions energy: -120.362
where: short stacking energy: -64.219
Base-Backbone interact. energy: 2.594
local terms energy: -76.845669
where:
bonds (distance) C4'-P energy: -17.143
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -16.003
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: 5, replica: 8
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -189.930864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.930864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.930864 (E_RNA)
where:
Base-Base interactions energy: -113.282
where: short stacking energy: -51.900
Base-Backbone interact. energy: -0.154
local terms energy: -76.495485
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -13.048
flat angles C4'-P-C4' energy: -17.246
flat angles P-C4'-P energy: -14.070
tors. eta vs tors. theta energy: -18.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -96.751119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.751119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.751119 (E_RNA)
where:
Base-Base interactions energy: -45.006
where: short stacking energy: -33.940
Base-Backbone interact. energy: -0.406
local terms energy: -51.339923
where:
bonds (distance) C4'-P energy: -11.322
bonds (distance) P-C4' energy: -18.552
flat angles C4'-P-C4' energy: -12.500
flat angles P-C4'-P energy: -8.492
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: 7, replica: 7
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -93.633816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.633816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.633816 (E_RNA)
where:
Base-Base interactions energy: -43.996
where: short stacking energy: -27.162
Base-Backbone interact. energy: 0.526
local terms energy: -50.163403
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -10.555
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -1.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -92.822179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.822179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.822179 (E_RNA)
where:
Base-Base interactions energy: -39.774
where: short stacking energy: -38.479
Base-Backbone interact. energy: -0.065
local terms energy: -52.983189
where:
bonds (distance) C4'-P energy: -11.107
bonds (distance) P-C4' energy: -16.856
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -2.005
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: 9, replica: 9
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -95.314814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.314814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.314814 (E_RNA)
where:
Base-Base interactions energy: -42.320
where: short stacking energy: -24.918
Base-Backbone interact. energy: -0.363
local terms energy: -52.631998
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -11.920
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -5.750
tors. eta vs tors. theta energy: -4.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -79.243751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.243751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.243751 (E_RNA)
where:
Base-Base interactions energy: -27.088
where: short stacking energy: -26.373
Base-Backbone interact. energy: -0.258
local terms energy: -51.896987
where:
bonds (distance) C4'-P energy: -12.431
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -6.463
tors. eta vs tors. theta energy: -1.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -248.371311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.371311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.371311 (E_RNA)
where:
Base-Base interactions energy: -157.667
where: short stacking energy: -74.161
Base-Backbone interact. energy: -0.296
local terms energy: -90.408223
where:
bonds (distance) C4'-P energy: -18.632
bonds (distance) P-C4' energy: -20.451
flat angles C4'-P-C4' energy: -16.828
flat angles P-C4'-P energy: -13.018
tors. eta vs tors. theta energy: -21.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -236.959088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.959088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.959088 (E_RNA)
where:
Base-Base interactions energy: -155.851
where: short stacking energy: -66.487
Base-Backbone interact. energy: -0.099
local terms energy: -81.009219
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -14.910
tors. eta vs tors. theta energy: -18.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -219.907269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.907269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.907269 (E_RNA)
where:
Base-Base interactions energy: -136.145
where: short stacking energy: -62.477
Base-Backbone interact. energy: 0.753
local terms energy: -84.514948
where:
bonds (distance) C4'-P energy: -16.608
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -19.343
flat angles P-C4'-P energy: -12.891
tors. eta vs tors. theta energy: -19.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -190.256277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.256277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.256277 (E_RNA)
where:
Base-Base interactions energy: -116.559
where: short stacking energy: -45.137
Base-Backbone interact. energy: -0.106
local terms energy: -73.591302
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -16.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -189.028579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.028579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.028579 (E_RNA)
where:
Base-Base interactions energy: -118.402
where: short stacking energy: -61.960
Base-Backbone interact. energy: -0.774
local terms energy: -69.852444
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -12.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -102.272454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.272454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.272454 (E_RNA)
where:
Base-Base interactions energy: -41.727
where: short stacking energy: -27.470
Base-Backbone interact. energy: -0.609
local terms energy: -59.936732
where:
bonds (distance) C4'-P energy: -19.726
bonds (distance) P-C4' energy: -13.556
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: -4.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -140.217089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.217089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.217089 (E_RNA)
where:
Base-Base interactions energy: -84.082
where: short stacking energy: -37.976
Base-Backbone interact. energy: -1.435
local terms energy: -54.699187
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -8.379
tors. eta vs tors. theta energy: -8.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -95.005074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.005074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.005074 (E_RNA)
where:
Base-Base interactions energy: -39.713
where: short stacking energy: -33.239
Base-Backbone interact. energy: -0.992
local terms energy: -54.299907
where:
bonds (distance) C4'-P energy: -14.267
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -16.922
flat angles P-C4'-P energy: -3.213
tors. eta vs tors. theta energy: -4.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -92.312541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.312541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.312541 (E_RNA)
where:
Base-Base interactions energy: -38.204
where: short stacking energy: -21.440
Base-Backbone interact. energy: -0.742
local terms energy: -53.366940
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -16.387
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -9.201
tors. eta vs tors. theta energy: 0.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -77.596295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.596295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.596295 (E_RNA)
where:
Base-Base interactions energy: -23.868
where: short stacking energy: -22.412
Base-Backbone interact. energy: -0.706
local terms energy: -53.022467
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -13.985
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: -3.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -249.062925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.062925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.062925 (E_RNA)
where:
Base-Base interactions energy: -168.913
where: short stacking energy: -76.484
Base-Backbone interact. energy: -0.002
local terms energy: -80.147187
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -16.954
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -10.801
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: 2, replica: 1
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -233.585319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.585319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.585319 (E_RNA)
where:
Base-Base interactions energy: -152.643
where: short stacking energy: -63.631
Base-Backbone interact. energy: -0.088
local terms energy: -80.853446
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -17.713
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -20.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -232.744946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.744946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.744946 (E_RNA)
where:
Base-Base interactions energy: -155.374
where: short stacking energy: -66.539
Base-Backbone interact. energy: -0.744
local terms energy: -76.626847
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -12.463
tors. eta vs tors. theta energy: -17.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -203.087444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.087444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.087444 (E_RNA)
where:
Base-Base interactions energy: -128.277
where: short stacking energy: -62.342
Base-Backbone interact. energy: -0.358
local terms energy: -74.452101
where:
bonds (distance) C4'-P energy: -19.192
bonds (distance) P-C4' energy: -17.748
flat angles C4'-P-C4' energy: -10.789
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -18.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -197.864754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.864754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.864754 (E_RNA)
where:
Base-Base interactions energy: -125.498
where: short stacking energy: -66.043
Base-Backbone interact. energy: -0.019
local terms energy: -72.347737
where:
bonds (distance) C4'-P energy: -11.773
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -11.696
tors. eta vs tors. theta energy: -18.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -102.336364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.336364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.336364 (E_RNA)
where:
Base-Base interactions energy: -39.901
where: short stacking energy: -40.304
Base-Backbone interact. energy: -0.239
local terms energy: -62.196408
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -18.199
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -6.075
tors. eta vs tors. theta energy: -8.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -130.218787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.218787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.218787 (E_RNA)
where:
Base-Base interactions energy: -74.997
where: short stacking energy: -36.239
Base-Backbone interact. energy: -0.003
local terms energy: -55.218225
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -13.426
flat angles C4'-P-C4' energy: -9.363
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -8.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -85.603412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.603412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.603412 (E_RNA)
where:
Base-Base interactions energy: -26.619
where: short stacking energy: -21.112
Base-Backbone interact. energy: -0.993
local terms energy: -57.991119
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -17.471
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -10.455
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: 5
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -83.839825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.839825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.839825 (E_RNA)
where:
Base-Base interactions energy: -30.265
where: short stacking energy: -23.488
Base-Backbone interact. energy: 0.451
local terms energy: -54.025782
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -18.584
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -5.898
tors. eta vs tors. theta energy: 2.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -75.057843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.057843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.057843 (E_RNA)
where:
Base-Base interactions energy: -20.751
where: short stacking energy: -20.751
Base-Backbone interact. energy: -0.205
local terms energy: -54.102021
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -11.515
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -4.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -259.540902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.540902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.540902 (E_RNA)
where:
Base-Base interactions energy: -178.599
where: short stacking energy: -77.271
Base-Backbone interact. energy: -0.776
local terms energy: -80.166621
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -11.215
flat angles C4'-P-C4' energy: -18.249
flat angles P-C4'-P energy: -11.286
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: 2, replica: 10
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -244.483286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.483286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.483286 (E_RNA)
where:
Base-Base interactions energy: -158.342
where: short stacking energy: -69.032
Base-Backbone interact. energy: 0.719
local terms energy: -86.860263
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -19.791
flat angles C4'-P-C4' energy: -20.225
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -18.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -227.744603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.744603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.744603 (E_RNA)
where:
Base-Base interactions energy: -154.633
where: short stacking energy: -68.003
Base-Backbone interact. energy: -0.709
local terms energy: -72.401944
where:
bonds (distance) C4'-P energy: -14.081
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -17.458
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -14.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -203.746933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.746933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.746933 (E_RNA)
where:
Base-Base interactions energy: -120.414
where: short stacking energy: -69.106
Base-Backbone interact. energy: -0.022
local terms energy: -83.310794
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -20.172
flat angles C4'-P-C4' energy: -17.957
flat angles P-C4'-P energy: -7.501
tors. eta vs tors. theta energy: -23.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -186.237052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.237052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.237052 (E_RNA)
where:
Base-Base interactions energy: -111.567
where: short stacking energy: -56.513
Base-Backbone interact. energy: -0.413
local terms energy: -74.256440
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -19.109
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -15.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -113.174252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.174252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.174252 (E_RNA)
where:
Base-Base interactions energy: -43.329
where: short stacking energy: -43.303
Base-Backbone interact. energy: -0.081
local terms energy: -69.763805
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -18.755
flat angles C4'-P-C4' energy: -17.508
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -10.102
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: 7, replica: 7
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -101.536301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.536301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.536301 (E_RNA)
where:
Base-Base interactions energy: -32.745
where: short stacking energy: -32.745
Base-Backbone interact. energy: -0.098
local terms energy: -68.693459
where:
bonds (distance) C4'-P energy: -17.391
bonds (distance) P-C4' energy: -19.108
flat angles C4'-P-C4' energy: -13.298
flat angles P-C4'-P energy: -12.003
tors. eta vs tors. theta energy: -6.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -83.727762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.727762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.727762 (E_RNA)
where:
Base-Base interactions energy: -25.748
where: short stacking energy: -24.968
Base-Backbone interact. energy: -0.625
local terms energy: -57.354580
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -16.088
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: 0.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -84.228155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.228155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.228155 (E_RNA)
where:
Base-Base interactions energy: -29.217
where: short stacking energy: -24.889
Base-Backbone interact. energy: -0.119
local terms energy: -54.891385
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -11.699
tors. eta vs tors. theta energy: 2.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -75.150255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.150255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.150255 (E_RNA)
where:
Base-Base interactions energy: -25.933
where: short stacking energy: -25.683
Base-Backbone interact. energy: -0.160
local terms energy: -49.057952
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -8.256
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -5.966
tors. eta vs tors. theta energy: -3.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -242.095912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.095912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.095912 (E_RNA)
where:
Base-Base interactions energy: -162.961
where: short stacking energy: -71.636
Base-Backbone interact. energy: -0.189
local terms energy: -78.946100
where:
bonds (distance) C4'-P energy: -9.988
bonds (distance) P-C4' energy: -18.892
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -14.458
tors. eta vs tors. theta energy: -18.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -239.044094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.044094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.044094 (E_RNA)
where:
Base-Base interactions energy: -156.808
where: short stacking energy: -61.789
Base-Backbone interact. energy: -0.010
local terms energy: -82.226175
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -19.883
flat angles C4'-P-C4' energy: -19.100
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -18.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -234.684880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.684880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.684880 (E_RNA)
where:
Base-Base interactions energy: -153.128
where: short stacking energy: -62.354
Base-Backbone interact. energy: -0.390
local terms energy: -81.166656
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -13.443
flat angles C4'-P-C4' energy: -19.797
flat angles P-C4'-P energy: -13.722
tors. eta vs tors. theta energy: -18.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -210.952851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.952851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.952851 (E_RNA)
where:
Base-Base interactions energy: -126.430
where: short stacking energy: -74.182
Base-Backbone interact. energy: -0.801
local terms energy: -83.722315
where:
bonds (distance) C4'-P energy: -13.521
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -17.925
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -24.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -180.138824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.138824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.138824 (E_RNA)
where:
Base-Base interactions energy: -118.555
where: short stacking energy: -50.213
Base-Backbone interact. energy: -0.711
local terms energy: -60.873030
where:
bonds (distance) C4'-P energy: -14.274
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -6.433
flat angles P-C4'-P energy: -8.738
tors. eta vs tors. theta energy: -14.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -113.707196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.707196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.707196 (E_RNA)
where:
Base-Base interactions energy: -45.750
where: short stacking energy: -45.750
Base-Backbone interact. energy: -0.004
local terms energy: -67.953407
where:
bonds (distance) C4'-P energy: -16.861
bonds (distance) P-C4' energy: -18.077
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -7.108
tors. eta vs tors. theta energy: -11.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -103.579265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.579265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.579265 (E_RNA)
where:
Base-Base interactions energy: -47.283
where: short stacking energy: -21.459
Base-Backbone interact. energy: 0.212
local terms energy: -56.508817
where:
bonds (distance) C4'-P energy: -9.985
bonds (distance) P-C4' energy: -17.113
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -13.575
tors. eta vs tors. theta energy: -0.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -96.141302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.141302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.141302 (E_RNA)
where:
Base-Base interactions energy: -37.436
where: short stacking energy: -29.264
Base-Backbone interact. energy: 2.227
local terms energy: -60.932213
where:
bonds (distance) C4'-P energy: -18.947
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -5.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -88.901789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.901789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.901789 (E_RNA)
where:
Base-Base interactions energy: -37.148
where: short stacking energy: -30.693
Base-Backbone interact. energy: -0.260
local terms energy: -51.493884
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -8.340
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -0.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -87.159556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.159556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.159556 (E_RNA)
where:
Base-Base interactions energy: -22.369
where: short stacking energy: -19.002
Base-Backbone interact. energy: -0.378
local terms energy: -64.412353
where:
bonds (distance) C4'-P energy: -18.259
bonds (distance) P-C4' energy: -20.818
flat angles C4'-P-C4' energy: -11.250
flat angles P-C4'-P energy: -13.510
tors. eta vs tors. theta energy: -0.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -240.273776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.273776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.273776 (E_RNA)
where:
Base-Base interactions energy: -154.107
where: short stacking energy: -68.991
Base-Backbone interact. energy: -0.565
local terms energy: -85.601303
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -20.059
flat angles P-C4'-P energy: -14.757
tors. eta vs tors. theta energy: -19.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -236.518687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.518687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.518687 (E_RNA)
where:
Base-Base interactions energy: -155.673
where: short stacking energy: -73.706
Base-Backbone interact. energy: -0.625
local terms energy: -80.220604
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -18.477
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -19.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -253.153669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.153669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.153669 (E_RNA)
where:
Base-Base interactions energy: -162.337
where: short stacking energy: -71.442
Base-Backbone interact. energy: -0.398
local terms energy: -90.417944
where:
bonds (distance) C4'-P energy: -17.518
bonds (distance) P-C4' energy: -21.540
flat angles C4'-P-C4' energy: -19.074
flat angles P-C4'-P energy: -7.704
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: 8
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -205.722768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.722768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.722768 (E_RNA)
where:
Base-Base interactions energy: -115.193
where: short stacking energy: -61.261
Base-Backbone interact. energy: -0.048
local terms energy: -90.481156
where:
bonds (distance) C4'-P energy: -16.256
bonds (distance) P-C4' energy: -18.412
flat angles C4'-P-C4' energy: -20.069
flat angles P-C4'-P energy: -16.128
tors. eta vs tors. theta energy: -19.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -181.487927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.487927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.487927 (E_RNA)
where:
Base-Base interactions energy: -108.234
where: short stacking energy: -42.205
Base-Backbone interact. energy: -0.275
local terms energy: -72.979376
where:
bonds (distance) C4'-P energy: -17.267
bonds (distance) P-C4' energy: -16.567
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -12.568
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: 5
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -96.143577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.143577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.143577 (E_RNA)
where:
Base-Base interactions energy: -40.782
where: short stacking energy: -26.657
Base-Backbone interact. energy: -0.908
local terms energy: -54.454404
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -20.187
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -1.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -97.252232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.252232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.252232 (E_RNA)
where:
Base-Base interactions energy: -30.430
where: short stacking energy: -30.430
Base-Backbone interact. energy: -0.006
local terms energy: -66.815908
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -18.066
flat angles P-C4'-P energy: -5.046
tors. eta vs tors. theta energy: -12.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -96.804530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.804530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.804530 (E_RNA)
where:
Base-Base interactions energy: -41.416
where: short stacking energy: -27.347
Base-Backbone interact. energy: -0.119
local terms energy: -55.269683
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -10.230
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: 9, replica: 7
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -85.931145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.931145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.931145 (E_RNA)
where:
Base-Base interactions energy: -38.067
where: short stacking energy: -27.042
Base-Backbone interact. energy: -0.192
local terms energy: -47.672437
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -9.654
flat angles C4'-P-C4' energy: -10.213
flat angles P-C4'-P energy: -11.967
tors. eta vs tors. theta energy: -2.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -88.329941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.329941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.329941 (E_RNA)
where:
Base-Base interactions energy: -38.503
where: short stacking energy: -37.525
Base-Backbone interact. energy: -0.193
local terms energy: -49.633636
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -18.939
flat angles C4'-P-C4' energy: -6.746
flat angles P-C4'-P energy: -1.349
tors. eta vs tors. theta energy: -7.789
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: 1
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -242.187105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.187105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.187105 (E_RNA)
where:
Base-Base interactions energy: -161.268
where: short stacking energy: -79.337
Base-Backbone interact. energy: -0.049
local terms energy: -80.869663
where:
bonds (distance) C4'-P energy: -12.092
bonds (distance) P-C4' energy: -19.457
flat angles C4'-P-C4' energy: -16.772
flat angles P-C4'-P energy: -13.791
tors. eta vs tors. theta energy: -18.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -238.163226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.163226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.163226 (E_RNA)
where:
Base-Base interactions energy: -157.729
where: short stacking energy: -76.513
Base-Backbone interact. energy: -0.198
local terms energy: -80.236259
where:
bonds (distance) C4'-P energy: -12.055
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -17.975
flat angles P-C4'-P energy: -14.265
tors. eta vs tors. theta energy: -19.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -244.219804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.219804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.219804 (E_RNA)
where:
Base-Base interactions energy: -159.049
where: short stacking energy: -75.691
Base-Backbone interact. energy: -0.056
local terms energy: -85.114825
where:
bonds (distance) C4'-P energy: -16.194
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -11.556
tors. eta vs tors. theta energy: -22.907
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: 4, replica: 8
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -199.552732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.552732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.552732 (E_RNA)
where:
Base-Base interactions energy: -116.731
where: short stacking energy: -61.317
Base-Backbone interact. energy: -1.433
local terms energy: -81.388861
where:
bonds (distance) C4'-P energy: -16.677
bonds (distance) P-C4' energy: -15.996
flat angles C4'-P-C4' energy: -18.039
flat angles P-C4'-P energy: -15.428
tors. eta vs tors. theta energy: -15.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -154.389447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.389447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.389447 (E_RNA)
where:
Base-Base interactions energy: -78.851
where: short stacking energy: -38.735
Base-Backbone interact. energy: -0.060
local terms energy: -75.478264
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -13.613
tors. eta vs tors. theta energy: -14.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -101.706330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.706330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.706330 (E_RNA)
where:
Base-Base interactions energy: -35.227
where: short stacking energy: -30.724
Base-Backbone interact. energy: -0.303
local terms energy: -66.175794
where:
bonds (distance) C4'-P energy: -19.530
bonds (distance) P-C4' energy: -18.302
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -6.965
tors. eta vs tors. theta energy: -5.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -91.727907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.727907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.727907 (E_RNA)
where:
Base-Base interactions energy: -39.443
where: short stacking energy: -31.928
Base-Backbone interact. energy: -0.124
local terms energy: -52.161077
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -15.324
flat angles C4'-P-C4' energy: -9.252
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -4.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -97.555063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.555063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.555063 (E_RNA)
where:
Base-Base interactions energy: -37.776
where: short stacking energy: -27.561
Base-Backbone interact. energy: -0.128
local terms energy: -59.650990
where:
bonds (distance) C4'-P energy: -17.699
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -6.139
tors. eta vs tors. theta energy: -6.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -83.338908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.338908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.338908 (E_RNA)
where:
Base-Base interactions energy: -29.121
where: short stacking energy: -25.230
Base-Backbone interact. energy: -0.181
local terms energy: -54.036345
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -0.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -96.248406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.248406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.248406 (E_RNA)
where:
Base-Base interactions energy: -32.825
where: short stacking energy: -30.778
Base-Backbone interact. energy: -0.005
local terms energy: -63.418989
where:
bonds (distance) C4'-P energy: -17.538
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -8.285
tors. eta vs tors. theta energy: -5.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -240.137994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.137994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.137994 (E_RNA)
where:
Base-Base interactions energy: -153.277
where: short stacking energy: -70.968
Base-Backbone interact. energy: -0.401
local terms energy: -86.460021
where:
bonds (distance) C4'-P energy: -18.933
bonds (distance) P-C4' energy: -18.234
flat angles C4'-P-C4' energy: -21.013
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -16.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -253.260462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.260462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.260462 (E_RNA)
where:
Base-Base interactions energy: -170.600
where: short stacking energy: -76.492
Base-Backbone interact. energy: -0.088
local terms energy: -82.571640
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -16.014
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -24.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -232.802313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.802313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.802313 (E_RNA)
where:
Base-Base interactions energy: -150.418
where: short stacking energy: -60.432
Base-Backbone interact. energy: -0.203
local terms energy: -82.181901
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -18.576
flat angles C4'-P-C4' energy: -18.776
flat angles P-C4'-P energy: -13.707
tors. eta vs tors. theta energy: -18.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -181.063935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.063935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.063935 (E_RNA)
where:
Base-Base interactions energy: -107.634
where: short stacking energy: -53.082
Base-Backbone interact. energy: -0.679
local terms energy: -72.750873
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -20.161
flat angles P-C4'-P energy: -10.022
tors. eta vs tors. theta energy: -11.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -181.974818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.974818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.974818 (E_RNA)
where:
Base-Base interactions energy: -117.645
where: short stacking energy: -59.609
Base-Backbone interact. energy: -0.589
local terms energy: -63.741048
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -18.234
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -11.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -117.238829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.238829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.238829 (E_RNA)
where:
Base-Base interactions energy: -60.679
where: short stacking energy: -32.087
Base-Backbone interact. energy: -0.333
local terms energy: -56.227604
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -17.093
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -4.230
tors. eta vs tors. theta energy: -3.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -97.649913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.649913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.649913 (E_RNA)
where:
Base-Base interactions energy: -31.278
where: short stacking energy: -26.548
Base-Backbone interact. energy: -0.507
local terms energy: -65.864262
where:
bonds (distance) C4'-P energy: -21.327
bonds (distance) P-C4' energy: -15.204
flat angles C4'-P-C4' energy: -9.706
flat angles P-C4'-P energy: -13.689
tors. eta vs tors. theta energy: -5.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -86.748772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.748772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.748772 (E_RNA)
where:
Base-Base interactions energy: -33.321
where: short stacking energy: -20.468
Base-Backbone interact. energy: 0.327
local terms energy: -53.754470
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: 2.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -103.165473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.165473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.165473 (E_RNA)
where:
Base-Base interactions energy: -47.151
where: short stacking energy: -32.121
Base-Backbone interact. energy: -0.240
local terms energy: -55.774640
where:
bonds (distance) C4'-P energy: -11.435
bonds (distance) P-C4' energy: -18.474
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -6.327
tors. eta vs tors. theta energy: -5.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -89.524523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.524523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.524523 (E_RNA)
where:
Base-Base interactions energy: -39.021
where: short stacking energy: -21.290
Base-Backbone interact. energy: -0.604
local terms energy: -49.899150
where:
bonds (distance) C4'-P energy: -9.405
bonds (distance) P-C4' energy: -8.586
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -13.788
tors. eta vs tors. theta energy: -2.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -254.948500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.948500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.948500 (E_RNA)
where:
Base-Base interactions energy: -164.980
where: short stacking energy: -84.754
Base-Backbone interact. energy: -0.696
local terms energy: -89.272266
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -18.259
flat angles C4'-P-C4' energy: -17.348
flat angles P-C4'-P energy: -13.705
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: 2, replica: 1
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -240.561833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.561833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.561833 (E_RNA)
where:
Base-Base interactions energy: -154.367
where: short stacking energy: -74.136
Base-Backbone interact. energy: -0.095
local terms energy: -86.100624
where:
bonds (distance) C4'-P energy: -20.508
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -17.240
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -20.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -232.315815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.315815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.315815 (E_RNA)
where:
Base-Base interactions energy: -151.801
where: short stacking energy: -66.886
Base-Backbone interact. energy: -0.173
local terms energy: -80.341899
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -17.542
flat angles C4'-P-C4' energy: -17.954
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -18.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -191.897801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.897801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.897801 (E_RNA)
where:
Base-Base interactions energy: -120.096
where: short stacking energy: -60.695
Base-Backbone interact. energy: -0.013
local terms energy: -71.789011
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -13.015
flat angles C4'-P-C4' energy: -18.353
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -15.345
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: 5, replica: 8
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -161.705061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.705061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.705061 (E_RNA)
where:
Base-Base interactions energy: -95.136
where: short stacking energy: -43.489
Base-Backbone interact. energy: -0.073
local terms energy: -66.495523
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -12.932
tors. eta vs tors. theta energy: -7.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -110.374982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.374982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.374982 (E_RNA)
where:
Base-Base interactions energy: -49.490
where: short stacking energy: -33.838
Base-Backbone interact. energy: -0.843
local terms energy: -60.042543
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -17.888
flat angles P-C4'-P energy: -12.683
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: 7, replica: 9
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -108.810618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.810618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.810618 (E_RNA)
where:
Base-Base interactions energy: -37.968
where: short stacking energy: -38.768
Base-Backbone interact. energy: -0.241
local terms energy: -70.602018
where:
bonds (distance) C4'-P energy: -19.476
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -17.587
flat angles P-C4'-P energy: -8.124
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: 8, replica: 3
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -87.762644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.762644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.762644 (E_RNA)
where:
Base-Base interactions energy: -34.635
where: short stacking energy: -18.301
Base-Backbone interact. energy: -0.919
local terms energy: -52.208251
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -12.926
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -1.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -84.177497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.177497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.177497 (E_RNA)
where:
Base-Base interactions energy: -31.717
where: short stacking energy: -19.722
Base-Backbone interact. energy: -1.490
local terms energy: -50.970627
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -4.880
tors. eta vs tors. theta energy: 0.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -79.447186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.447186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.447186 (E_RNA)
where:
Base-Base interactions energy: -23.897
where: short stacking energy: -23.897
Base-Backbone interact. energy: -0.183
local terms energy: -55.367093
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -12.298
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -1.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -251.772409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.772409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.772409 (E_RNA)
where:
Base-Base interactions energy: -162.539
where: short stacking energy: -80.128
Base-Backbone interact. energy: -0.002
local terms energy: -89.231704
where:
bonds (distance) C4'-P energy: -17.108
bonds (distance) P-C4' energy: -18.504
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -14.320
tors. eta vs tors. theta energy: -23.600
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: 2, replica: 10
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -235.975645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.975645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.975645 (E_RNA)
where:
Base-Base interactions energy: -158.560
where: short stacking energy: -61.889
Base-Backbone interact. energy: -0.344
local terms energy: -77.071555
where:
bonds (distance) C4'-P energy: -16.487
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -20.016
flat angles P-C4'-P energy: -13.910
tors. eta vs tors. theta energy: -14.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -217.270772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.270772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.270772 (E_RNA)
where:
Base-Base interactions energy: -151.169
where: short stacking energy: -59.853
Base-Backbone interact. energy: -0.574
local terms energy: -65.527549
where:
bonds (distance) C4'-P energy: -11.657
bonds (distance) P-C4' energy: -18.491
flat angles C4'-P-C4' energy: -10.218
flat angles P-C4'-P energy: -13.680
tors. eta vs tors. theta energy: -11.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -167.713045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.713045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.713045 (E_RNA)
where:
Base-Base interactions energy: -105.111
where: short stacking energy: -52.317
Base-Backbone interact. energy: -0.136
local terms energy: -62.465100
where:
bonds (distance) C4'-P energy: -7.906
bonds (distance) P-C4' energy: -20.401
flat angles C4'-P-C4' energy: -9.472
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -14.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -195.255812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.255812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.255812 (E_RNA)
where:
Base-Base interactions energy: -120.169
where: short stacking energy: -59.809
Base-Backbone interact. energy: -0.488
local terms energy: -74.598652
where:
bonds (distance) C4'-P energy: -14.883
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -16.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -114.026336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.026336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.026336 (E_RNA)
where:
Base-Base interactions energy: -46.459
where: short stacking energy: -39.375
Base-Backbone interact. energy: 0.026
local terms energy: -67.593069
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -17.762
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -10.169
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: 5
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -110.160001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.160001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.160001 (E_RNA)
where:
Base-Base interactions energy: -42.594
where: short stacking energy: -36.777
Base-Backbone interact. energy: -0.294
local terms energy: -67.272332
where:
bonds (distance) C4'-P energy: -15.438
bonds (distance) P-C4' energy: -19.389
flat angles C4'-P-C4' energy: -10.626
flat angles P-C4'-P energy: -11.410
tors. eta vs tors. theta energy: -10.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -88.092645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.092645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.092645 (E_RNA)
where:
Base-Base interactions energy: -28.475
where: short stacking energy: -28.033
Base-Backbone interact. energy: -0.263
local terms energy: -59.354538
where:
bonds (distance) C4'-P energy: -15.836
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -10.157
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: 9, replica: 3
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -80.690302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.690302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.690302 (E_RNA)
where:
Base-Base interactions energy: -23.702
where: short stacking energy: -22.908
Base-Backbone interact. energy: -0.741
local terms energy: -56.247559
where:
bonds (distance) C4'-P energy: -17.656
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: 0.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -78.306010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.306010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.306010 (E_RNA)
where:
Base-Base interactions energy: -23.473
where: short stacking energy: -23.473
Base-Backbone interact. energy: -0.330
local terms energy: -54.503438
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -1.115
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: 6
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -257.063463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.063463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.063463 (E_RNA)
where:
Base-Base interactions energy: -167.575
where: short stacking energy: -73.629
Base-Backbone interact. energy: -0.409
local terms energy: -89.079901
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -19.778
flat angles C4'-P-C4' energy: -20.385
flat angles P-C4'-P energy: -10.030
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: 2, replica: 10
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -229.851656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.851656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.851656 (E_RNA)
where:
Base-Base interactions energy: -144.339
where: short stacking energy: -59.209
Base-Backbone interact. energy: -0.275
local terms energy: -85.237901
where:
bonds (distance) C4'-P energy: -17.866
bonds (distance) P-C4' energy: -17.803
flat angles C4'-P-C4' energy: -17.603
flat angles P-C4'-P energy: -13.588
tors. eta vs tors. theta energy: -18.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -220.990843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.990843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.990843 (E_RNA)
where:
Base-Base interactions energy: -139.865
where: short stacking energy: -56.978
Base-Backbone interact. energy: -0.080
local terms energy: -81.046082
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -19.555
flat angles P-C4'-P energy: -13.796
tors. eta vs tors. theta energy: -18.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -149.583529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.583529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.583529 (E_RNA)
where:
Base-Base interactions energy: -87.702
where: short stacking energy: -48.593
Base-Backbone interact. energy: -0.143
local terms energy: -61.739082
where:
bonds (distance) C4'-P energy: -13.534
bonds (distance) P-C4' energy: -12.478
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -6.676
tors. eta vs tors. theta energy: -12.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -165.764710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.764710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.764710 (E_RNA)
where:
Base-Base interactions energy: -105.676
where: short stacking energy: -45.412
Base-Backbone interact. energy: 0.234
local terms energy: -60.322754
where:
bonds (distance) C4'-P energy: -8.839
bonds (distance) P-C4' energy: -18.572
flat angles C4'-P-C4' energy: -16.533
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -7.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -104.548155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.548155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.548155 (E_RNA)
where:
Base-Base interactions energy: -42.768
where: short stacking energy: -38.671
Base-Backbone interact. energy: -0.886
local terms energy: -60.894164
where:
bonds (distance) C4'-P energy: -14.739
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -6.888
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: 7, replica: 7
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -93.971506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.971506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.971506 (E_RNA)
where:
Base-Base interactions energy: -34.719
where: short stacking energy: -30.619
Base-Backbone interact. energy: -0.999
local terms energy: -58.253906
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -15.918
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -4.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -89.416797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.416797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.416797 (E_RNA)
where:
Base-Base interactions energy: -31.857
where: short stacking energy: -31.184
Base-Backbone interact. energy: -0.307
local terms energy: -57.253549
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: -2.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -89.973820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.973820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.973820 (E_RNA)
where:
Base-Base interactions energy: -28.829
where: short stacking energy: -25.673
Base-Backbone interact. energy: -0.545
local terms energy: -60.600494
where:
bonds (distance) C4'-P energy: -11.713
bonds (distance) P-C4' energy: -17.880
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -5.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -91.619178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.619178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.619178 (E_RNA)
where:
Base-Base interactions energy: -34.507
where: short stacking energy: -34.507
Base-Backbone interact. energy: -0.098
local terms energy: -57.014398
where:
bonds (distance) C4'-P energy: -9.930
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -8.949
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: 1, replica: 6
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -256.806263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.806263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.806263 (E_RNA)
where:
Base-Base interactions energy: -175.449
where: short stacking energy: -76.143
Base-Backbone interact. energy: -0.013
local terms energy: -81.344024
where:
bonds (distance) C4'-P energy: -14.994
bonds (distance) P-C4' energy: -17.466
flat angles C4'-P-C4' energy: -17.992
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -20.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -233.018765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.018765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.018765 (E_RNA)
where:
Base-Base interactions energy: -150.087
where: short stacking energy: -72.356
Base-Backbone interact. energy: -0.324
local terms energy: -82.607848
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -8.454
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: 3, replica: 1
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -227.637901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.637901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.637901 (E_RNA)
where:
Base-Base interactions energy: -150.442
where: short stacking energy: -60.937
Base-Backbone interact. energy: -0.094
local terms energy: -77.101716
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -14.886
tors. eta vs tors. theta energy: -13.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -204.516953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.516953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.516953 (E_RNA)
where:
Base-Base interactions energy: -123.957
where: short stacking energy: -62.846
Base-Backbone interact. energy: -1.279
local terms energy: -79.280732
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -16.237
flat angles P-C4'-P energy: -14.357
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: 5, replica: 8
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -164.338082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.338082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.338082 (E_RNA)
where:
Base-Base interactions energy: -96.944
where: short stacking energy: -53.863
Base-Backbone interact. energy: -0.177
local terms energy: -67.216669
where:
bonds (distance) C4'-P energy: -10.257
bonds (distance) P-C4' energy: -19.621
flat angles C4'-P-C4' energy: -16.922
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -10.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -102.149630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.149630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.149630 (E_RNA)
where:
Base-Base interactions energy: -43.197
where: short stacking energy: -32.432
Base-Backbone interact. energy: -0.188
local terms energy: -58.764912
where:
bonds (distance) C4'-P energy: -12.038
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -6.797
tors. eta vs tors. theta energy: -6.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -104.186878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.186878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.186878 (E_RNA)
where:
Base-Base interactions energy: -43.722
where: short stacking energy: -32.842
Base-Backbone interact. energy: -0.949
local terms energy: -59.516544
where:
bonds (distance) C4'-P energy: -18.901
bonds (distance) P-C4' energy: -18.355
flat angles C4'-P-C4' energy: -11.385
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: -3.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -92.408734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.408734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.408734 (E_RNA)
where:
Base-Base interactions energy: -31.014
where: short stacking energy: -30.052
Base-Backbone interact. energy: -0.951
local terms energy: -60.443958
where:
bonds (distance) C4'-P energy: -16.199
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -2.853
tors. eta vs tors. theta energy: -10.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -106.981587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.981587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.981587 (E_RNA)
where:
Base-Base interactions energy: -45.056
where: short stacking energy: -42.645
Base-Backbone interact. energy: 2.453
local terms energy: -64.378821
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -9.355
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: 10, replica: 3
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -108.564692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.564692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.564692 (E_RNA)
where:
Base-Base interactions energy: -51.523
where: short stacking energy: -36.293
Base-Backbone interact. energy: -0.250
local terms energy: -56.791489
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -5.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -263.440622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.440622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.440622 (E_RNA)
where:
Base-Base interactions energy: -176.794
where: short stacking energy: -73.685
Base-Backbone interact. energy: -0.063
local terms energy: -86.584148
where:
bonds (distance) C4'-P energy: -18.098
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -14.161
tors. eta vs tors. theta energy: -21.881
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: 110
Temperature: 0.950000
Total energy: -235.235328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.235328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.235328 (E_RNA)
where:
Base-Base interactions energy: -155.541
where: short stacking energy: -68.699
Base-Backbone interact. energy: -0.192
local terms energy: -79.502408
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -13.295
flat angles C4'-P-C4' energy: -17.430
flat angles P-C4'-P energy: -13.214
tors. eta vs tors. theta energy: -20.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -229.139608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.139608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.139608 (E_RNA)
where:
Base-Base interactions energy: -153.265
where: short stacking energy: -71.627
Base-Backbone interact. energy: 0.211
local terms energy: -76.084915
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -19.289
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -15.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -228.717863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.717863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.717863 (E_RNA)
where:
Base-Base interactions energy: -146.656
where: short stacking energy: -65.811
Base-Backbone interact. energy: -0.662
local terms energy: -81.400252
where:
bonds (distance) C4'-P energy: -16.053
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -18.729
flat angles P-C4'-P energy: -13.127
tors. eta vs tors. theta energy: -19.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -155.708482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.708482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.708482 (E_RNA)
where:
Base-Base interactions energy: -83.503
where: short stacking energy: -49.540
Base-Backbone interact. energy: -0.085
local terms energy: -72.120116
where:
bonds (distance) C4'-P energy: -15.964
bonds (distance) P-C4' energy: -15.689
flat angles C4'-P-C4' energy: -16.537
flat angles P-C4'-P energy: -10.376
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: 6, replica: 7
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -101.617969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.617969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.617969 (E_RNA)
where:
Base-Base interactions energy: -36.036
where: short stacking energy: -36.036
Base-Backbone interact. energy: -0.254
local terms energy: -65.328251
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -18.468
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -6.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -108.800887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.800887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.800887 (E_RNA)
where:
Base-Base interactions energy: -37.905
where: short stacking energy: -24.920
Base-Backbone interact. energy: -0.082
local terms energy: -70.814155
where:
bonds (distance) C4'-P energy: -17.540
bonds (distance) P-C4' energy: -20.386
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -4.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -90.055550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.055550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.055550 (E_RNA)
where:
Base-Base interactions energy: -34.001
where: short stacking energy: -32.837
Base-Backbone interact. energy: -1.806
local terms energy: -54.248151
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -9.732
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: -6.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -85.027862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.027862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.027862 (E_RNA)
where:
Base-Base interactions energy: -26.041
where: short stacking energy: -25.884
Base-Backbone interact. energy: -0.095
local terms energy: -58.891222
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -18.045
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: 0.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -80.481673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.481673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.481673 (E_RNA)
where:
Base-Base interactions energy: -30.721
where: short stacking energy: -19.866
Base-Backbone interact. energy: -0.389
local terms energy: -49.371465
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -11.267
flat angles P-C4'-P energy: -6.505
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: 6
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -262.660564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.660564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.660564 (E_RNA)
where:
Base-Base interactions energy: -175.166
where: short stacking energy: -74.200
Base-Backbone interact. energy: -2.504
local terms energy: -84.991105
where:
bonds (distance) C4'-P energy: -17.932
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -17.508
flat angles P-C4'-P energy: -14.378
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: 2, replica: 1
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -230.402233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.402233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.402233 (E_RNA)
where:
Base-Base interactions energy: -151.386
where: short stacking energy: -57.857
Base-Backbone interact. energy: -0.240
local terms energy: -78.775906
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -17.558
flat angles P-C4'-P energy: -13.361
tors. eta vs tors. theta energy: -15.263
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: 10
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -229.063660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.063660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.063660 (E_RNA)
where:
Base-Base interactions energy: -147.462
where: short stacking energy: -63.691
Base-Backbone interact. energy: -0.128
local terms energy: -81.473465
where:
bonds (distance) C4'-P energy: -18.027
bonds (distance) P-C4' energy: -18.526
flat angles C4'-P-C4' energy: -18.412
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -15.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -224.039868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.039868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.039868 (E_RNA)
where:
Base-Base interactions energy: -142.684
where: short stacking energy: -63.929
Base-Backbone interact. energy: -0.129
local terms energy: -81.226153
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -16.095
flat angles C4'-P-C4' energy: -18.472
flat angles P-C4'-P energy: -5.755
tors. eta vs tors. theta energy: -25.145
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: 8
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -151.011929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.011929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.011929 (E_RNA)
where:
Base-Base interactions energy: -88.925
where: short stacking energy: -42.558
Base-Backbone interact. energy: -0.036
local terms energy: -62.050729
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -19.150
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -3.219
tors. eta vs tors. theta energy: -9.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -102.343306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.343306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.343306 (E_RNA)
where:
Base-Base interactions energy: -36.579
where: short stacking energy: -26.008
Base-Backbone interact. energy: -0.126
local terms energy: -65.638324
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -18.708
flat angles P-C4'-P energy: -14.160
tors. eta vs tors. theta energy: -4.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -91.849891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.849891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.849891 (E_RNA)
where:
Base-Base interactions energy: -32.743
where: short stacking energy: -26.663
Base-Backbone interact. energy: 0.281
local terms energy: -59.387637
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -12.254
tors. eta vs tors. theta energy: -4.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -93.716966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.716966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.716966 (E_RNA)
where:
Base-Base interactions energy: -38.337
where: short stacking energy: -25.676
Base-Backbone interact. energy: -0.110
local terms energy: -55.269739
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -7.848
flat angles P-C4'-P energy: -13.091
tors. eta vs tors. theta energy: -4.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -82.294164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.294164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.294164 (E_RNA)
where:
Base-Base interactions energy: -27.080
where: short stacking energy: -8.055
Base-Backbone interact. energy: -0.160
local terms energy: -55.053688
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -19.160
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: 3.798
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: 111
Temperature: 1.350000
Total energy: -89.189076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.189076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.189076 (E_RNA)
where:
Base-Base interactions energy: -38.426
where: short stacking energy: -17.107
Base-Backbone interact. energy: -0.016
local terms energy: -50.746372
where:
bonds (distance) C4'-P energy: -12.306
bonds (distance) P-C4' energy: -19.854
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: 3.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -247.220851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.220851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.220851 (E_RNA)
where:
Base-Base interactions energy: -164.780
where: short stacking energy: -63.810
Base-Backbone interact. energy: -0.301
local terms energy: -82.138954
where:
bonds (distance) C4'-P energy: -18.964
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: -17.792
flat angles P-C4'-P energy: -14.251
tors. eta vs tors. theta energy: -13.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -239.834358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.834358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.834358 (E_RNA)
where:
Base-Base interactions energy: -161.846
where: short stacking energy: -71.608
Base-Backbone interact. energy: -0.775
local terms energy: -77.213287
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -18.573
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -16.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -233.276802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.276802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.276802 (E_RNA)
where:
Base-Base interactions energy: -151.110
where: short stacking energy: -66.568
Base-Backbone interact. energy: -0.460
local terms energy: -81.707562
where:
bonds (distance) C4'-P energy: -16.745
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -18.375
flat angles P-C4'-P energy: -13.921
tors. eta vs tors. theta energy: -15.881
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: 4
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -189.991267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.991267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.991267 (E_RNA)
where:
Base-Base interactions energy: -115.588
where: short stacking energy: -51.306
Base-Backbone interact. energy: -0.126
local terms energy: -74.276509
where:
bonds (distance) C4'-P energy: -12.063
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -17.994
flat angles P-C4'-P energy: -14.194
tors. eta vs tors. theta energy: -14.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -134.126072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.126072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.126072 (E_RNA)
where:
Base-Base interactions energy: -69.144
where: short stacking energy: -40.168
Base-Backbone interact. energy: -1.224
local terms energy: -63.757757
where:
bonds (distance) C4'-P energy: -19.318
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -6.886
tors. eta vs tors. theta energy: -9.826
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: 9
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -96.432069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.432069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.432069 (E_RNA)
where:
Base-Base interactions energy: -29.792
where: short stacking energy: -22.424
Base-Backbone interact. energy: -0.244
local terms energy: -66.395986
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -18.740
flat angles C4'-P-C4' energy: -17.061
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -4.644
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: 2
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -100.775368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.775368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.775368 (E_RNA)
where:
Base-Base interactions energy: -47.241
where: short stacking energy: -30.837
Base-Backbone interact. energy: -0.482
local terms energy: -53.052434
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -17.407
flat angles C4'-P-C4' energy: -14.201
flat angles P-C4'-P energy: 0.051
tors. eta vs tors. theta energy: -4.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -109.993041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.993041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.993041 (E_RNA)
where:
Base-Base interactions energy: -43.159
where: short stacking energy: -42.204
Base-Backbone interact. energy: 0.167
local terms energy: -67.001073
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -11.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -87.761399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.761399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.761399 (E_RNA)
where:
Base-Base interactions energy: -31.291
where: short stacking energy: -31.391
Base-Backbone interact. energy: -0.875
local terms energy: -55.595909
where:
bonds (distance) C4'-P energy: -13.073
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -6.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -84.728202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.728202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.728202 (E_RNA)
where:
Base-Base interactions energy: -34.215
where: short stacking energy: -28.310
Base-Backbone interact. energy: -1.822
local terms energy: -48.691559
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -9.063
flat angles P-C4'-P energy: -7.878
tors. eta vs tors. theta energy: -4.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -246.735138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.735138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.735138 (E_RNA)
where:
Base-Base interactions energy: -157.802
where: short stacking energy: -74.506
Base-Backbone interact. energy: -0.006
local terms energy: -88.927539
where:
bonds (distance) C4'-P energy: -19.344
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -18.935
flat angles P-C4'-P energy: -13.992
tors. eta vs tors. theta energy: -19.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -237.273353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.273353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.273353 (E_RNA)
where:
Base-Base interactions energy: -149.266
where: short stacking energy: -64.577
Base-Backbone interact. energy: -0.239
local terms energy: -87.768328
where:
bonds (distance) C4'-P energy: -18.711
bonds (distance) P-C4' energy: -20.154
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -11.061
tors. eta vs tors. theta energy: -21.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -222.484488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.484488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.484488 (E_RNA)
where:
Base-Base interactions energy: -143.829
where: short stacking energy: -68.247
Base-Backbone interact. energy: -0.199
local terms energy: -78.456561
where:
bonds (distance) C4'-P energy: -15.297
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -17.658
flat angles P-C4'-P energy: -12.744
tors. eta vs tors. theta energy: -17.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -197.591560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.591560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.591560 (E_RNA)
where:
Base-Base interactions energy: -121.572
where: short stacking energy: -60.599
Base-Backbone interact. energy: -0.536
local terms energy: -75.482948
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -19.911
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -13.627
tors. eta vs tors. theta energy: -14.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -141.130649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.130649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.130649 (E_RNA)
where:
Base-Base interactions energy: -72.176
where: short stacking energy: -42.330
Base-Backbone interact. energy: -0.082
local terms energy: -68.872346
where:
bonds (distance) C4'-P energy: -19.733
bonds (distance) P-C4' energy: -15.788
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -7.386
tors. eta vs tors. theta energy: -9.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -120.229392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.229392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.229392 (E_RNA)
where:
Base-Base interactions energy: -61.106
where: short stacking energy: -37.824
Base-Backbone interact. energy: 0.200
local terms energy: -59.322769
where:
bonds (distance) C4'-P energy: -18.269
bonds (distance) P-C4' energy: -16.986
flat angles C4'-P-C4' energy: -9.035
flat angles P-C4'-P energy: -7.091
tors. eta vs tors. theta energy: -7.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -133.080146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.080146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.080146 (E_RNA)
where:
Base-Base interactions energy: -75.396
where: short stacking energy: -30.322
Base-Backbone interact. energy: -1.543
local terms energy: -56.141924
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -0.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -88.301469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.301469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.301469 (E_RNA)
where:
Base-Base interactions energy: -41.535
where: short stacking energy: -35.514
Base-Backbone interact. energy: -0.136
local terms energy: -46.630679
where:
bonds (distance) C4'-P energy: -10.716
bonds (distance) P-C4' energy: -9.132
flat angles C4'-P-C4' energy: -16.961
flat angles P-C4'-P energy: -2.433
tors. eta vs tors. theta energy: -7.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -88.708126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.708126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.708126 (E_RNA)
where:
Base-Base interactions energy: -31.478
where: short stacking energy: -31.478
Base-Backbone interact. energy: -0.039
local terms energy: -57.191557
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -12.061
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: -4.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -84.491065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.491065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.491065 (E_RNA)
where:
Base-Base interactions energy: -31.089
where: short stacking energy: -26.542
Base-Backbone interact. energy: -0.431
local terms energy: -52.971152
where:
bonds (distance) C4'-P energy: -16.310
bonds (distance) P-C4' energy: -12.910
flat angles C4'-P-C4' energy: -12.702
flat angles P-C4'-P energy: -6.759
tors. eta vs tors. theta energy: -4.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -237.403620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.403620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.403620 (E_RNA)
where:
Base-Base interactions energy: -148.497
where: short stacking energy: -70.852
Base-Backbone interact. energy: -0.195
local terms energy: -88.711239
where:
bonds (distance) C4'-P energy: -19.336
bonds (distance) P-C4' energy: -17.349
flat angles C4'-P-C4' energy: -18.554
flat angles P-C4'-P energy: -15.666
tors. eta vs tors. theta energy: -17.806
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: 6
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -244.803723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.803723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.803723 (E_RNA)
where:
Base-Base interactions energy: -161.397
where: short stacking energy: -79.980
Base-Backbone interact. energy: -0.009
local terms energy: -83.398272
where:
bonds (distance) C4'-P energy: -17.762
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -13.275
tors. eta vs tors. theta energy: -25.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -230.193582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.193582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.193582 (E_RNA)
where:
Base-Base interactions energy: -156.198
where: short stacking energy: -66.969
Base-Backbone interact. energy: 0.295
local terms energy: -74.290421
where:
bonds (distance) C4'-P energy: -19.468
bonds (distance) P-C4' energy: -11.458
flat angles C4'-P-C4' energy: -17.528
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -17.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -200.884980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.884980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.884980 (E_RNA)
where:
Base-Base interactions energy: -129.193
where: short stacking energy: -63.205
Base-Backbone interact. energy: -0.155
local terms energy: -71.536669
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -14.474
flat angles C4'-P-C4' energy: -17.543
flat angles P-C4'-P energy: -7.066
tors. eta vs tors. theta energy: -18.186
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: 2
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -104.589979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.589979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.589979 (E_RNA)
where:
Base-Base interactions energy: -48.367
where: short stacking energy: -30.345
Base-Backbone interact. energy: -0.829
local terms energy: -55.393603
where:
bonds (distance) C4'-P energy: -18.070
bonds (distance) P-C4' energy: -12.020
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -2.907
tors. eta vs tors. theta energy: -6.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -110.949712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.949712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.949712 (E_RNA)
where:
Base-Base interactions energy: -52.014
where: short stacking energy: -29.990
Base-Backbone interact. energy: 1.909
local terms energy: -60.845187
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -12.747
tors. eta vs tors. theta energy: -3.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -122.366046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.366046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.366046 (E_RNA)
where:
Base-Base interactions energy: -56.106
where: short stacking energy: -30.604
Base-Backbone interact. energy: -0.218
local terms energy: -66.041775
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -18.217
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: -9.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -93.673274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.673274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.673274 (E_RNA)
where:
Base-Base interactions energy: -43.598
where: short stacking energy: -24.353
Base-Backbone interact. energy: -0.147
local terms energy: -49.928190
where:
bonds (distance) C4'-P energy: -11.031
bonds (distance) P-C4' energy: -16.960
flat angles C4'-P-C4' energy: -11.013
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -0.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -82.730198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.730198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.730198 (E_RNA)
where:
Base-Base interactions energy: -29.463
where: short stacking energy: -28.962
Base-Backbone interact. energy: -0.162
local terms energy: -53.105566
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -7.101
tors. eta vs tors. theta energy: -2.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -80.799845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.799845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.799845 (E_RNA)
where:
Base-Base interactions energy: -26.042
where: short stacking energy: -26.042
Base-Backbone interact. energy: -0.926
local terms energy: -53.831580
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -11.012
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -3.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -235.707428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.707428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.707428 (E_RNA)
where:
Base-Base interactions energy: -155.915
where: short stacking energy: -69.254
Base-Backbone interact. energy: -0.086
local terms energy: -79.706467
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -19.997
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -17.902
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: 2, replica: 1
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -235.156495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.156495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.156495 (E_RNA)
where:
Base-Base interactions energy: -149.436
where: short stacking energy: -65.272
Base-Backbone interact. energy: -0.761
local terms energy: -84.959316
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -18.630
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -14.190
tors. eta vs tors. theta energy: -21.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -250.514113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.514113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.514113 (E_RNA)
where:
Base-Base interactions energy: -161.186
where: short stacking energy: -70.016
Base-Backbone interact. energy: -1.989
local terms energy: -87.338260
where:
bonds (distance) C4'-P energy: -20.793
bonds (distance) P-C4' energy: -14.732
flat angles C4'-P-C4' energy: -18.361
flat angles P-C4'-P energy: -11.357
tors. eta vs tors. theta energy: -22.095
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: 4, replica: 4
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -201.086202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.086202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.086202 (E_RNA)
where:
Base-Base interactions energy: -116.173
where: short stacking energy: -52.619
Base-Backbone interact. energy: -0.019
local terms energy: -84.894154
where:
bonds (distance) C4'-P energy: -19.124
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -19.342
flat angles P-C4'-P energy: -16.142
tors. eta vs tors. theta energy: -14.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -118.926216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.926216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.926216 (E_RNA)
where:
Base-Base interactions energy: -48.351
where: short stacking energy: -48.351
Base-Backbone interact. energy: -0.188
local terms energy: -70.387202
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -13.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -153.043329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.043329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.043329 (E_RNA)
where:
Base-Base interactions energy: -82.661
where: short stacking energy: -39.318
Base-Backbone interact. energy: -0.137
local terms energy: -70.246065
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -15.133
flat angles C4'-P-C4' energy: -20.181
flat angles P-C4'-P energy: -9.997
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: 7, replica: 8
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -110.425688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.425688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.425688 (E_RNA)
where:
Base-Base interactions energy: -48.991
where: short stacking energy: -29.250
Base-Backbone interact. energy: -0.474
local terms energy: -60.960813
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -14.813
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: -4.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -96.610186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.610186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.610186 (E_RNA)
where:
Base-Base interactions energy: -31.848
where: short stacking energy: -31.848
Base-Backbone interact. energy: -0.135
local terms energy: -64.627300
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -7.842
flat angles P-C4'-P energy: -13.218
tors. eta vs tors. theta energy: -9.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -86.442033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.442033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.442033 (E_RNA)
where:
Base-Base interactions energy: -38.541
where: short stacking energy: -20.193
Base-Backbone interact. energy: -0.573
local terms energy: -47.327728
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -11.659
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: 0.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -80.411818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.411818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.411818 (E_RNA)
where:
Base-Base interactions energy: -28.149
where: short stacking energy: -24.854
Base-Backbone interact. energy: -0.510
local terms energy: -51.752568
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -16.112
flat angles C4'-P-C4' energy: -9.768
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: 1.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -243.035711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.035711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.035711 (E_RNA)
where:
Base-Base interactions energy: -159.123
where: short stacking energy: -72.387
Base-Backbone interact. energy: 1.138
local terms energy: -85.050813
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -18.199
flat angles C4'-P-C4' energy: -19.701
flat angles P-C4'-P energy: -12.374
tors. eta vs tors. theta energy: -18.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -230.689202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.689202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.689202 (E_RNA)
where:
Base-Base interactions energy: -146.299
where: short stacking energy: -64.754
Base-Backbone interact. energy: 0.628
local terms energy: -85.017775
where:
bonds (distance) C4'-P energy: -17.362
bonds (distance) P-C4' energy: -18.936
flat angles C4'-P-C4' energy: -18.591
flat angles P-C4'-P energy: -12.622
tors. eta vs tors. theta energy: -17.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -243.843202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.843202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.843202 (E_RNA)
where:
Base-Base interactions energy: -164.548
where: short stacking energy: -78.753
Base-Backbone interact. energy: -0.669
local terms energy: -78.626843
where:
bonds (distance) C4'-P energy: -16.290
bonds (distance) P-C4' energy: -11.658
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -14.279
tors. eta vs tors. theta energy: -22.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -205.888942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.888942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.888942 (E_RNA)
where:
Base-Base interactions energy: -125.770
where: short stacking energy: -65.032
Base-Backbone interact. energy: -0.010
local terms energy: -80.109096
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -17.430
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -13.428
tors. eta vs tors. theta energy: -19.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -169.819493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.819493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.819493 (E_RNA)
where:
Base-Base interactions energy: -104.473
where: short stacking energy: -39.992
Base-Backbone interact. energy: -0.447
local terms energy: -64.899189
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -17.076
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: -6.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -117.770464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.770464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.770464 (E_RNA)
where:
Base-Base interactions energy: -46.563
where: short stacking energy: -46.563
Base-Backbone interact. energy: -0.231
local terms energy: -70.975913
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -19.597
flat angles C4'-P-C4' energy: -17.342
flat angles P-C4'-P energy: -11.183
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: 7, replica: 5
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -93.458838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.458838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.458838 (E_RNA)
where:
Base-Base interactions energy: -31.717
where: short stacking energy: -28.031
Base-Backbone interact. energy: -0.154
local terms energy: -61.587740
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -18.539
flat angles C4'-P-C4' energy: -12.738
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -2.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -87.875600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.875600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.875600 (E_RNA)
where:
Base-Base interactions energy: -30.476
where: short stacking energy: -30.476
Base-Backbone interact. energy: -0.401
local terms energy: -56.998844
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -18.688
flat angles C4'-P-C4' energy: -10.194
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -1.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -80.505184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.505184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.505184 (E_RNA)
where:
Base-Base interactions energy: -28.755
where: short stacking energy: -26.811
Base-Backbone interact. energy: 0.788
local terms energy: -52.538360
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -4.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -91.255650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.255650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.255650 (E_RNA)
where:
Base-Base interactions energy: -47.060
where: short stacking energy: -37.498
Base-Backbone interact. energy: -0.179
local terms energy: -44.017088
where:
bonds (distance) C4'-P energy: -12.564
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -8.050
flat angles P-C4'-P energy: -4.336
tors. eta vs tors. theta energy: -6.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -248.090427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.090427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.090427 (E_RNA)
where:
Base-Base interactions energy: -165.481
where: short stacking energy: -78.840
Base-Backbone interact. energy: -0.083
local terms energy: -82.526282
where:
bonds (distance) C4'-P energy: -16.058
bonds (distance) P-C4' energy: -18.535
flat angles C4'-P-C4' energy: -17.756
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -19.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -256.393067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.393067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.393067 (E_RNA)
where:
Base-Base interactions energy: -169.705
where: short stacking energy: -90.052
Base-Backbone interact. energy: -0.060
local terms energy: -86.627840
where:
bonds (distance) C4'-P energy: -16.106
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -13.432
tors. eta vs tors. theta energy: -26.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -223.696347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.696347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.696347 (E_RNA)
where:
Base-Base interactions energy: -142.984
where: short stacking energy: -64.807
Base-Backbone interact. energy: -0.102
local terms energy: -80.609983
where:
bonds (distance) C4'-P energy: -12.125
bonds (distance) P-C4' energy: -18.544
flat angles C4'-P-C4' energy: -17.601
flat angles P-C4'-P energy: -12.008
tors. eta vs tors. theta energy: -20.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -183.381189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.381189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.381189 (E_RNA)
where:
Base-Base interactions energy: -105.848
where: short stacking energy: -62.625
Base-Backbone interact. energy: -0.824
local terms energy: -76.709560
where:
bonds (distance) C4'-P energy: -19.120
bonds (distance) P-C4' energy: -17.404
flat angles C4'-P-C4' energy: -11.795
flat angles P-C4'-P energy: -11.674
tors. eta vs tors. theta energy: -16.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -197.377270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.377270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.377270 (E_RNA)
where:
Base-Base interactions energy: -121.479
where: short stacking energy: -63.068
Base-Backbone interact. energy: 0.299
local terms energy: -76.197416
where:
bonds (distance) C4'-P energy: -18.238
bonds (distance) P-C4' energy: -18.042
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -7.459
tors. eta vs tors. theta energy: -17.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -108.748260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.748260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.748260 (E_RNA)
where:
Base-Base interactions energy: -49.342
where: short stacking energy: -40.088
Base-Backbone interact. energy: -0.001
local terms energy: -59.404650
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -13.488
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -10.146
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: 7, replica: 2
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -98.072199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.072199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.072199 (E_RNA)
where:
Base-Base interactions energy: -30.821
where: short stacking energy: -31.056
Base-Backbone interact. energy: -0.197
local terms energy: -67.053542
where:
bonds (distance) C4'-P energy: -16.736
bonds (distance) P-C4' energy: -17.824
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -14.030
tors. eta vs tors. theta energy: -1.839
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: 117
Temperature: 1.250000
Total energy: -92.583289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.583289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.583289 (E_RNA)
where:
Base-Base interactions energy: -39.637
where: short stacking energy: -38.417
Base-Backbone interact. energy: -0.148
local terms energy: -52.798560
where:
bonds (distance) C4'-P energy: -8.360
bonds (distance) P-C4' energy: -12.241
flat angles C4'-P-C4' energy: -13.068
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -7.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -96.834151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.834151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.834151 (E_RNA)
where:
Base-Base interactions energy: -36.309
where: short stacking energy: -36.609
Base-Backbone interact. energy: -0.242
local terms energy: -60.283395
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -18.270
flat angles P-C4'-P energy: -8.617
tors. eta vs tors. theta energy: -3.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -79.761571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.761571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.761571 (E_RNA)
where:
Base-Base interactions energy: -23.531
where: short stacking energy: -23.531
Base-Backbone interact. energy: 0.278
local terms energy: -56.508223
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -3.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -265.597656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.597656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.597656 (E_RNA)
where:
Base-Base interactions energy: -169.955
where: short stacking energy: -83.848
Base-Backbone interact. energy: -0.012
local terms energy: -95.630847
where:
bonds (distance) C4'-P energy: -20.205
bonds (distance) P-C4' energy: -19.614
flat angles C4'-P-C4' energy: -17.314
flat angles P-C4'-P energy: -12.858
tors. eta vs tors. theta energy: -25.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -237.827003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.827003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.827003 (E_RNA)
where:
Base-Base interactions energy: -158.141
where: short stacking energy: -73.457
Base-Backbone interact. energy: -0.060
local terms energy: -79.625808
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -16.297
tors. eta vs tors. theta energy: -16.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -226.596103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.596103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.596103 (E_RNA)
where:
Base-Base interactions energy: -148.878
where: short stacking energy: -55.380
Base-Backbone interact. energy: -0.513
local terms energy: -77.204877
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -21.225
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: -14.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -197.360123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.360123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.360123 (E_RNA)
where:
Base-Base interactions energy: -121.480
where: short stacking energy: -64.032
Base-Backbone interact. energy: -0.031
local terms energy: -75.849328
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -14.226
flat angles C4'-P-C4' energy: -19.427
flat angles P-C4'-P energy: -7.437
tors. eta vs tors. theta energy: -19.462
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: 118
Temperature: 1.100000
Total energy: -189.682733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.682733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.682733 (E_RNA)
where:
Base-Base interactions energy: -115.744
where: short stacking energy: -54.356
Base-Backbone interact. energy: -0.441
local terms energy: -73.497636
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -18.303
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -13.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -98.592183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.592183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.592183 (E_RNA)
where:
Base-Base interactions energy: -36.399
where: short stacking energy: -34.465
Base-Backbone interact. energy: -0.777
local terms energy: -61.415842
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -18.033
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -5.945
tors. eta vs tors. theta energy: -6.726
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: 7
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -89.668355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.668355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.668355 (E_RNA)
where:
Base-Base interactions energy: -31.468
where: short stacking energy: -28.554
Base-Backbone interact. energy: -0.126
local terms energy: -58.074943
where:
bonds (distance) C4'-P energy: -17.995
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -11.465
tors. eta vs tors. theta energy: -1.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -97.053436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.053436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.053436 (E_RNA)
where:
Base-Base interactions energy: -40.140
where: short stacking energy: -38.669
Base-Backbone interact. energy: -1.134
local terms energy: -55.778818
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -16.859
flat angles C4'-P-C4' energy: -11.199
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -3.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -88.866585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.866585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.866585 (E_RNA)
where:
Base-Base interactions energy: -21.496
where: short stacking energy: -21.496
Base-Backbone interact. energy: -0.125
local terms energy: -67.245894
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -17.110
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: -12.461
tors. eta vs tors. theta energy: -10.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -82.407388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.407388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.407388 (E_RNA)
where:
Base-Base interactions energy: -31.218
where: short stacking energy: -20.505
Base-Backbone interact. energy: 0.854
local terms energy: -52.043084
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -11.673
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -0.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -265.481093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.481093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.481093 (E_RNA)
where:
Base-Base interactions energy: -175.525
where: short stacking energy: -76.057
Base-Backbone interact. energy: -0.007
local terms energy: -89.948371
where:
bonds (distance) C4'-P energy: -19.716
bonds (distance) P-C4' energy: -18.646
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -13.996
tors. eta vs tors. theta energy: -22.447
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: 1
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -241.421786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.421786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.421786 (E_RNA)
where:
Base-Base interactions energy: -153.238
where: short stacking energy: -71.406
Base-Backbone interact. energy: 1.375
local terms energy: -89.558931
where:
bonds (distance) C4'-P energy: -18.002
bonds (distance) P-C4' energy: -19.500
flat angles C4'-P-C4' energy: -16.478
flat angles P-C4'-P energy: -14.301
tors. eta vs tors. theta energy: -21.279
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: 10
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -232.961178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.961178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.961178 (E_RNA)
where:
Base-Base interactions energy: -146.084
where: short stacking energy: -69.362
Base-Backbone interact. energy: -0.012
local terms energy: -86.865438
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -17.852
flat angles C4'-P-C4' energy: -18.735
flat angles P-C4'-P energy: -14.717
tors. eta vs tors. theta energy: -19.211
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: 4, replica: 4
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -193.222535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.222535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.222535 (E_RNA)
where:
Base-Base interactions energy: -117.780
where: short stacking energy: -56.412
Base-Backbone interact. energy: -0.191
local terms energy: -75.251157
where:
bonds (distance) C4'-P energy: -18.035
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -7.676
tors. eta vs tors. theta energy: -16.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -186.645083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.645083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.645083 (E_RNA)
where:
Base-Base interactions energy: -114.389
where: short stacking energy: -56.970
Base-Backbone interact. energy: -0.543
local terms energy: -71.713458
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -15.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -122.783997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.783997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.783997 (E_RNA)
where:
Base-Base interactions energy: -63.893
where: short stacking energy: -34.909
Base-Backbone interact. energy: 0.092
local terms energy: -58.982971
where:
bonds (distance) C4'-P energy: -11.990
bonds (distance) P-C4' energy: -15.129
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -6.568
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: 7
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -95.419059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.419059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.419059 (E_RNA)
where:
Base-Base interactions energy: -38.168
where: short stacking energy: -33.325
Base-Backbone interact. energy: -0.903
local terms energy: -56.347843
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -16.960
flat angles C4'-P-C4' energy: -12.127
flat angles P-C4'-P energy: -8.063
tors. eta vs tors. theta energy: -6.758
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: 119
Temperature: 1.250000
Total energy: -102.107770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.107770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.107770 (E_RNA)
where:
Base-Base interactions energy: -38.637
where: short stacking energy: -37.165
Base-Backbone interact. energy: 0.129
local terms energy: -63.600107
where:
bonds (distance) C4'-P energy: -18.453
bonds (distance) P-C4' energy: -16.807
flat angles C4'-P-C4' energy: -13.952
flat angles P-C4'-P energy: -8.485
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: 2
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -84.477822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.477822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.477822 (E_RNA)
where:
Base-Base interactions energy: -28.976
where: short stacking energy: -14.774
Base-Backbone interact. energy: 1.557
local terms energy: -57.059436
where:
bonds (distance) C4'-P energy: -7.842
bonds (distance) P-C4' energy: -20.162
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -3.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -96.216899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.216899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.216899 (E_RNA)
where:
Base-Base interactions energy: -34.563
where: short stacking energy: -28.527
Base-Backbone interact. energy: -0.538
local terms energy: -61.116155
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -3.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -260.396272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.396272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.396272 (E_RNA)
where:
Base-Base interactions energy: -171.385
where: short stacking energy: -75.729
Base-Backbone interact. energy: -0.773
local terms energy: -88.238545
where:
bonds (distance) C4'-P energy: -16.924
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -15.132
tors. eta vs tors. theta energy: -22.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -238.157946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.157946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.157946 (E_RNA)
where:
Base-Base interactions energy: -149.423
where: short stacking energy: -66.974
Base-Backbone interact. energy: -0.325
local terms energy: -88.410159
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -20.706
flat angles C4'-P-C4' energy: -20.338
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -20.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -231.222172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.222172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.222172 (E_RNA)
where:
Base-Base interactions energy: -154.979
where: short stacking energy: -74.896
Base-Backbone interact. energy: 0.511
local terms energy: -76.754546
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -13.790
tors. eta vs tors. theta energy: -18.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -205.726255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.726255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.726255 (E_RNA)
where:
Base-Base interactions energy: -122.524
where: short stacking energy: -64.584
Base-Backbone interact. energy: -0.048
local terms energy: -83.154968
where:
bonds (distance) C4'-P energy: -18.388
bonds (distance) P-C4' energy: -15.550
flat angles C4'-P-C4' energy: -18.117
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -19.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -189.761899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.761899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.761899 (E_RNA)
where:
Base-Base interactions energy: -111.570
where: short stacking energy: -56.378
Base-Backbone interact. energy: -0.018
local terms energy: -78.173718
where:
bonds (distance) C4'-P energy: -17.983
bonds (distance) P-C4' energy: -15.741
flat angles C4'-P-C4' energy: -17.193
flat angles P-C4'-P energy: -12.991
tors. eta vs tors. theta energy: -14.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -129.244914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.244914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.244914 (E_RNA)
where:
Base-Base interactions energy: -78.297
where: short stacking energy: -41.149
Base-Backbone interact. energy: -0.399
local terms energy: -50.549447
where:
bonds (distance) C4'-P energy: -8.327
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -2.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -97.194435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.194435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.194435 (E_RNA)
where:
Base-Base interactions energy: -36.170
where: short stacking energy: -24.451
Base-Backbone interact. energy: -0.341
local terms energy: -60.683979
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -18.271
flat angles P-C4'-P energy: -12.008
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: 8, replica: 7
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -94.820002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.820002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.820002 (E_RNA)
where:
Base-Base interactions energy: -35.648
where: short stacking energy: -29.907
Base-Backbone interact. energy: -0.103
local terms energy: -59.068726
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -19.028
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -0.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -82.106769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.106769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.106769 (E_RNA)
where:
Base-Base interactions energy: -28.938
where: short stacking energy: -27.332
Base-Backbone interact. energy: 0.068
local terms energy: -53.236038
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -8.276
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: -3.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -77.817992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.817992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.817992 (E_RNA)
where:
Base-Base interactions energy: -28.441
where: short stacking energy: -12.366
Base-Backbone interact. energy: -0.311
local terms energy: -49.066690
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -19.718
flat angles C4'-P-C4' energy: -9.161
flat angles P-C4'-P energy: -5.979
tors. eta vs tors. theta energy: 2.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -257.786203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.786203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.786203 (E_RNA)
where:
Base-Base interactions energy: -167.925
where: short stacking energy: -78.913
Base-Backbone interact. energy: -0.362
local terms energy: -89.499494
where:
bonds (distance) C4'-P energy: -19.691
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -14.158
tors. eta vs tors. theta energy: -21.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -241.991418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.991418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.991418 (E_RNA)
where:
Base-Base interactions energy: -155.838
where: short stacking energy: -67.596
Base-Backbone interact. energy: -0.152
local terms energy: -86.001678
where:
bonds (distance) C4'-P energy: -18.135
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -17.984
flat angles P-C4'-P energy: -13.232
tors. eta vs tors. theta energy: -20.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -225.723923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.723923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.723923 (E_RNA)
where:
Base-Base interactions energy: -148.537
where: short stacking energy: -66.375
Base-Backbone interact. energy: 1.451
local terms energy: -78.638047
where:
bonds (distance) C4'-P energy: -18.040
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -17.841
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -18.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -193.910176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.910176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.910176 (E_RNA)
where:
Base-Base interactions energy: -124.144
where: short stacking energy: -57.193
Base-Backbone interact. energy: -0.993
local terms energy: -68.773366
where:
bonds (distance) C4'-P energy: -10.591
bonds (distance) P-C4' energy: -13.521
flat angles C4'-P-C4' energy: -18.315
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -17.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -210.152909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.152909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.152909 (E_RNA)
where:
Base-Base interactions energy: -127.863
where: short stacking energy: -65.845
Base-Backbone interact. energy: -0.057
local terms energy: -82.233002
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -19.564
flat angles P-C4'-P energy: -12.475
tors. eta vs tors. theta energy: -22.198
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: 3
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -139.144289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.144289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.144289 (E_RNA)
where:
Base-Base interactions energy: -73.018
where: short stacking energy: -37.409
Base-Backbone interact. energy: 0.019
local terms energy: -66.145549
where:
bonds (distance) C4'-P energy: -17.385
bonds (distance) P-C4' energy: -18.847
flat angles C4'-P-C4' energy: -11.348
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -8.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -145.519228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.519228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.519228 (E_RNA)
where:
Base-Base interactions energy: -80.583
where: short stacking energy: -41.906
Base-Backbone interact. energy: -0.067
local terms energy: -64.868980
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -9.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -106.949499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.949499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.949499 (E_RNA)
where:
Base-Base interactions energy: -37.999
where: short stacking energy: -37.999
Base-Backbone interact. energy: -0.402
local terms energy: -68.548784
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -17.792
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -8.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -85.002287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.002287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.002287 (E_RNA)
where:
Base-Base interactions energy: -32.529
where: short stacking energy: -16.468
Base-Backbone interact. energy: 1.951
local terms energy: -54.423517
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -12.648
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -1.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -80.726981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.726981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.726981 (E_RNA)
where:
Base-Base interactions energy: -38.507
where: short stacking energy: -30.654
Base-Backbone interact. energy: -0.086
local terms energy: -42.134287
where:
bonds (distance) C4'-P energy: -7.045
bonds (distance) P-C4' energy: -11.834
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: 1.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -254.343046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.343046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.343046 (E_RNA)
where:
Base-Base interactions energy: -170.103
where: short stacking energy: -77.435
Base-Backbone interact. energy: -0.002
local terms energy: -84.238264
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -13.180
flat angles C4'-P-C4' energy: -18.397
flat angles P-C4'-P energy: -14.854
tors. eta vs tors. theta energy: -23.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -238.126937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.126937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.126937 (E_RNA)
where:
Base-Base interactions energy: -162.948
where: short stacking energy: -68.541
Base-Backbone interact. energy: -0.715
local terms energy: -74.463725
where:
bonds (distance) C4'-P energy: -13.930
bonds (distance) P-C4' energy: -14.766
flat angles C4'-P-C4' energy: -17.600
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -16.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -236.255374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.255374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.255374 (E_RNA)
where:
Base-Base interactions energy: -158.964
where: short stacking energy: -73.258
Base-Backbone interact. energy: -0.163
local terms energy: -77.127948
where:
bonds (distance) C4'-P energy: -10.853
bonds (distance) P-C4' energy: -17.260
flat angles C4'-P-C4' energy: -19.566
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -18.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -192.502014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.502014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.502014 (E_RNA)
where:
Base-Base interactions energy: -114.930
where: short stacking energy: -39.250
Base-Backbone interact. energy: -0.639
local terms energy: -76.933405
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -14.567
tors. eta vs tors. theta energy: -15.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -162.014804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.014804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.014804 (E_RNA)
where:
Base-Base interactions energy: -90.708
where: short stacking energy: -49.953
Base-Backbone interact. energy: -0.011
local terms energy: -71.295927
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -10.782
flat angles P-C4'-P energy: -13.297
tors. eta vs tors. theta energy: -12.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -202.420502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.420502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.420502 (E_RNA)
where:
Base-Base interactions energy: -120.118
where: short stacking energy: -54.103
Base-Backbone interact. energy: -0.190
local terms energy: -82.112122
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -17.196
flat angles P-C4'-P energy: -12.160
tors. eta vs tors. theta energy: -19.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -92.168285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.168285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.168285 (E_RNA)
where:
Base-Base interactions energy: -41.800
where: short stacking energy: -23.596
Base-Backbone interact. energy: -0.225
local terms energy: -50.143203
where:
bonds (distance) C4'-P energy: -12.243
bonds (distance) P-C4' energy: -19.600
flat angles C4'-P-C4' energy: -8.422
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: 0.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -131.529567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.529567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.529567 (E_RNA)
where:
Base-Base interactions energy: -75.773
where: short stacking energy: -39.850
Base-Backbone interact. energy: -2.017
local terms energy: -53.739901
where:
bonds (distance) C4'-P energy: -11.179
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -2.565
tors. eta vs tors. theta energy: -7.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -84.659027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.659027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.659027 (E_RNA)
where:
Base-Base interactions energy: -32.806
where: short stacking energy: -12.230
Base-Backbone interact. energy: -0.735
local terms energy: -51.117981
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -16.381
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: 3.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -80.837155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.837155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.837155 (E_RNA)
where:
Base-Base interactions energy: -34.323
where: short stacking energy: -27.156
Base-Backbone interact. energy: -0.574
local terms energy: -45.940223
where:
bonds (distance) C4'-P energy: -20.482
bonds (distance) P-C4' energy: -11.139
flat angles C4'-P-C4' energy: -8.672
flat angles P-C4'-P energy: -6.442
tors. eta vs tors. theta energy: 0.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -260.866682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.866682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.866682 (E_RNA)
where:
Base-Base interactions energy: -179.418
where: short stacking energy: -77.078
Base-Backbone interact. energy: -0.093
local terms energy: -81.356019
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -19.209
flat angles C4'-P-C4' energy: -20.375
flat angles P-C4'-P energy: -7.100
tors. eta vs tors. theta energy: -20.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -235.231253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.231253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.231253 (E_RNA)
where:
Base-Base interactions energy: -155.104
where: short stacking energy: -72.144
Base-Backbone interact. energy: -0.204
local terms energy: -79.923816
where:
bonds (distance) C4'-P energy: -17.311
bonds (distance) P-C4' energy: -19.244
flat angles C4'-P-C4' energy: -17.132
flat angles P-C4'-P energy: -9.270
tors. eta vs tors. theta energy: -16.967
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: 10
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -238.209900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.209900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.209900 (E_RNA)
where:
Base-Base interactions energy: -153.037
where: short stacking energy: -71.107
Base-Backbone interact. energy: -0.237
local terms energy: -84.935952
where:
bonds (distance) C4'-P energy: -14.473
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -18.133
flat angles P-C4'-P energy: -11.407
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: 4, replica: 9
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -193.419618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.419618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.419618 (E_RNA)
where:
Base-Base interactions energy: -120.011
where: short stacking energy: -59.744
Base-Backbone interact. energy: -0.036
local terms energy: -73.371762
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -17.849
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -8.077
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: 5, replica: 3
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -168.563230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.563230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.563230 (E_RNA)
where:
Base-Base interactions energy: -94.611
where: short stacking energy: -49.914
Base-Backbone interact. energy: -0.009
local terms energy: -73.942946
where:
bonds (distance) C4'-P energy: -18.712
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -13.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -96.381237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.381237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.381237 (E_RNA)
where:
Base-Base interactions energy: -34.232
where: short stacking energy: -31.794
Base-Backbone interact. energy: 1.069
local terms energy: -63.218462
where:
bonds (distance) C4'-P energy: -17.540
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -8.032
tors. eta vs tors. theta energy: -5.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -188.810100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.810100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.810100 (E_RNA)
where:
Base-Base interactions energy: -124.013
where: short stacking energy: -53.618
Base-Backbone interact. energy: 1.785
local terms energy: -66.581946
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -7.982
tors. eta vs tors. theta energy: -11.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -92.743390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.743390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.743390 (E_RNA)
where:
Base-Base interactions energy: -30.398
where: short stacking energy: -30.087
Base-Backbone interact. energy: -0.193
local terms energy: -62.152307
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -13.613
flat angles P-C4'-P energy: -15.099
tors. eta vs tors. theta energy: -0.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -95.688498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.688498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.688498 (E_RNA)
where:
Base-Base interactions energy: -36.179
where: short stacking energy: -36.279
Base-Backbone interact. energy: -0.142
local terms energy: -59.368198
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -6.348
flat angles C4'-P-C4' energy: -17.333
flat angles P-C4'-P energy: -10.380
tors. eta vs tors. theta energy: -9.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -77.662313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.662313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.662313 (E_RNA)
where:
Base-Base interactions energy: -25.637
where: short stacking energy: -19.646
Base-Backbone interact. energy: -1.069
local terms energy: -50.956519
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -14.354
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: 4.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -264.222124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.222124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.222124 (E_RNA)
where:
Base-Base interactions energy: -173.497
where: short stacking energy: -74.791
Base-Backbone interact. energy: -0.130
local terms energy: -90.594880
where:
bonds (distance) C4'-P energy: -16.598
bonds (distance) P-C4' energy: -18.745
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -13.948
tors. eta vs tors. theta energy: -24.762
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: 2, replica: 1
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -238.829646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.829646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.829646 (E_RNA)
where:
Base-Base interactions energy: -153.923
where: short stacking energy: -72.514
Base-Backbone interact. energy: -0.255
local terms energy: -84.651439
where:
bonds (distance) C4'-P energy: -12.725
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -18.635
flat angles P-C4'-P energy: -12.563
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: 10
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -219.339005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.339005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.339005 (E_RNA)
where:
Base-Base interactions energy: -140.582
where: short stacking energy: -59.811
Base-Backbone interact. energy: -0.406
local terms energy: -78.350968
where:
bonds (distance) C4'-P energy: -15.056
bonds (distance) P-C4' energy: -12.919
flat angles C4'-P-C4' energy: -21.421
flat angles P-C4'-P energy: -13.898
tors. eta vs tors. theta energy: -15.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -187.800241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.800241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.800241 (E_RNA)
where:
Base-Base interactions energy: -111.814
where: short stacking energy: -53.640
Base-Backbone interact. energy: -0.083
local terms energy: -75.902984
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -17.184
flat angles P-C4'-P energy: -12.479
tors. eta vs tors. theta energy: -15.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -179.076109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.076109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.076109 (E_RNA)
where:
Base-Base interactions energy: -105.407
where: short stacking energy: -53.955
Base-Backbone interact. energy: -0.004
local terms energy: -73.664494
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -17.463
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -14.088
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: 6, replica: 8
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -111.548534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.548534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.548534 (E_RNA)
where:
Base-Base interactions energy: -40.954
where: short stacking energy: -36.706
Base-Backbone interact. energy: -0.094
local terms energy: -70.500776
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -19.545
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -11.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -193.437277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.437277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.437277 (E_RNA)
where:
Base-Base interactions energy: -120.292
where: short stacking energy: -61.562
Base-Backbone interact. energy: 0.348
local terms energy: -73.493409
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -12.400
flat angles P-C4'-P energy: -14.574
tors. eta vs tors. theta energy: -18.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -86.476193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.476193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.476193 (E_RNA)
where:
Base-Base interactions energy: -24.807
where: short stacking energy: -21.255
Base-Backbone interact. energy: -1.065
local terms energy: -60.604657
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -15.524
flat angles C4'-P-C4' energy: -11.374
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -6.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -91.376730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.376730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.376730 (E_RNA)
where:
Base-Base interactions energy: -38.415
where: short stacking energy: -38.415
Base-Backbone interact. energy: -0.014
local terms energy: -52.947919
where:
bonds (distance) C4'-P energy: -7.007
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -16.989
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: -4.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -70.634828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.634828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.634828 (E_RNA)
where:
Base-Base interactions energy: -21.835
where: short stacking energy: -21.835
Base-Backbone interact. energy: -0.367
local terms energy: -48.433466
where:
bonds (distance) C4'-P energy: -17.038
bonds (distance) P-C4' energy: -9.256
flat angles C4'-P-C4' energy: -8.832
flat angles P-C4'-P energy: -9.093
tors. eta vs tors. theta energy: -4.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -256.367548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.367548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.367548 (E_RNA)
where:
Base-Base interactions energy: -175.613
where: short stacking energy: -74.364
Base-Backbone interact. energy: -0.747
local terms energy: -80.008033
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -6.114
tors. eta vs tors. theta energy: -24.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -231.929804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.929804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.929804 (E_RNA)
where:
Base-Base interactions energy: -150.622
where: short stacking energy: -62.002
Base-Backbone interact. energy: -1.059
local terms energy: -80.248713
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -17.553
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -16.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -230.636879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.636879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.636879 (E_RNA)
where:
Base-Base interactions energy: -150.476
where: short stacking energy: -66.074
Base-Backbone interact. energy: 0.725
local terms energy: -80.886124
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -16.880
flat angles C4'-P-C4' energy: -18.443
flat angles P-C4'-P energy: -14.611
tors. eta vs tors. theta energy: -16.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -179.582690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.582690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.582690 (E_RNA)
where:
Base-Base interactions energy: -108.353
where: short stacking energy: -47.953
Base-Backbone interact. energy: 0.017
local terms energy: -71.246719
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -17.244
flat angles C4'-P-C4' energy: -18.025
flat angles P-C4'-P energy: -4.044
tors. eta vs tors. theta energy: -16.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -202.716942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.716942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.716942 (E_RNA)
where:
Base-Base interactions energy: -120.356
where: short stacking energy: -64.370
Base-Backbone interact. energy: -0.048
local terms energy: -82.312974
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -16.937
flat angles C4'-P-C4' energy: -19.685
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: -20.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -191.347324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.347324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.347324 (E_RNA)
where:
Base-Base interactions energy: -111.217
where: short stacking energy: -54.775
Base-Backbone interact. energy: -0.011
local terms energy: -80.119042
where:
bonds (distance) C4'-P energy: -16.807
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -14.589
tors. eta vs tors. theta energy: -18.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -91.430361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.430361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.430361 (E_RNA)
where:
Base-Base interactions energy: -25.485
where: short stacking energy: -25.485
Base-Backbone interact. energy: -0.217
local terms energy: -65.728966
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -19.051
flat angles C4'-P-C4' energy: -16.186
flat angles P-C4'-P energy: -11.061
tors. eta vs tors. theta energy: -3.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -93.691837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.691837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.691837 (E_RNA)
where:
Base-Base interactions energy: -32.526
where: short stacking energy: -32.526
Base-Backbone interact. energy: -0.225
local terms energy: -60.940411
where:
bonds (distance) C4'-P energy: -14.605
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -6.173
tors. eta vs tors. theta energy: -7.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -101.956776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.956776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.956776 (E_RNA)
where:
Base-Base interactions energy: -40.008
where: short stacking energy: -40.987
Base-Backbone interact. energy: -0.889
local terms energy: -61.059655
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -6.378
tors. eta vs tors. theta energy: -8.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -83.280891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.280891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.280891 (E_RNA)
where:
Base-Base interactions energy: -28.703
where: short stacking energy: -27.461
Base-Backbone interact. energy: -0.064
local terms energy: -54.513667
where:
bonds (distance) C4'-P energy: -10.572
bonds (distance) P-C4' energy: -15.530
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -11.845
tors. eta vs tors. theta energy: -2.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -241.356970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.356970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.356970 (E_RNA)
where:
Base-Base interactions energy: -162.486
where: short stacking energy: -58.633
Base-Backbone interact. energy: -0.325
local terms energy: -78.546238
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -18.728
flat angles C4'-P-C4' energy: -19.091
flat angles P-C4'-P energy: -12.907
tors. eta vs tors. theta energy: -15.303
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: 6
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -243.759903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.759903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.759903 (E_RNA)
where:
Base-Base interactions energy: -155.937
where: short stacking energy: -69.632
Base-Backbone interact. energy: -0.007
local terms energy: -87.815628
where:
bonds (distance) C4'-P energy: -16.954
bonds (distance) P-C4' energy: -18.184
flat angles C4'-P-C4' energy: -18.720
flat angles P-C4'-P energy: -12.723
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: 9
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -184.477470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.477470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.477470 (E_RNA)
where:
Base-Base interactions energy: -107.026
where: short stacking energy: -52.350
Base-Backbone interact. energy: -0.567
local terms energy: -76.884781
where:
bonds (distance) C4'-P energy: -18.873
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -17.571
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -15.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -216.041037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.041037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.041037 (E_RNA)
where:
Base-Base interactions energy: -144.833
where: short stacking energy: -62.537
Base-Backbone interact. energy: -0.147
local terms energy: -71.061013
where:
bonds (distance) C4'-P energy: -12.562
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -16.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -183.698200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.698200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.698200 (E_RNA)
where:
Base-Base interactions energy: -119.562
where: short stacking energy: -53.836
Base-Backbone interact. energy: -0.129
local terms energy: -64.006874
where:
bonds (distance) C4'-P energy: -18.153
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -9.068
flat angles P-C4'-P energy: -13.152
tors. eta vs tors. theta energy: -9.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -184.817022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.817022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.817022 (E_RNA)
where:
Base-Base interactions energy: -107.639
where: short stacking energy: -55.952
Base-Backbone interact. energy: -0.302
local terms energy: -76.876525
where:
bonds (distance) C4'-P energy: -17.241
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -11.424
flat angles P-C4'-P energy: -12.298
tors. eta vs tors. theta energy: -19.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -93.820774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.820774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.820774 (E_RNA)
where:
Base-Base interactions energy: -31.761
where: short stacking energy: -29.168
Base-Backbone interact. energy: -0.392
local terms energy: -61.668273
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -4.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -96.987052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.987052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.987052 (E_RNA)
where:
Base-Base interactions energy: -39.204
where: short stacking energy: -39.036
Base-Backbone interact. energy: -0.098
local terms energy: -57.685164
where:
bonds (distance) C4'-P energy: -8.560
bonds (distance) P-C4' energy: -14.292
flat angles C4'-P-C4' energy: -18.931
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -6.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -105.286131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.286131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.286131 (E_RNA)
where:
Base-Base interactions energy: -37.642
where: short stacking energy: -34.157
Base-Backbone interact. energy: -0.637
local terms energy: -67.007560
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -12.745
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -11.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -85.212565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.212565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.212565 (E_RNA)
where:
Base-Base interactions energy: -35.370
where: short stacking energy: -27.617
Base-Backbone interact. energy: 0.827
local terms energy: -50.669651
where:
bonds (distance) C4'-P energy: -14.096
bonds (distance) P-C4' energy: -19.482
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -5.166
tors. eta vs tors. theta energy: 0.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -231.839271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.839271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.839271 (E_RNA)
where:
Base-Base interactions energy: -152.694
where: short stacking energy: -66.567
Base-Backbone interact. energy: 0.829
local terms energy: -79.973928
where:
bonds (distance) C4'-P energy: -18.728
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -19.762
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -17.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -252.153700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.153700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.153700 (E_RNA)
where:
Base-Base interactions energy: -161.384
where: short stacking energy: -76.245
Base-Backbone interact. energy: -0.001
local terms energy: -90.768748
where:
bonds (distance) C4'-P energy: -17.029
bonds (distance) P-C4' energy: -14.974
flat angles C4'-P-C4' energy: -18.688
flat angles P-C4'-P energy: -13.397
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: 3, replica: 9
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -211.940143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.940143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.940143 (E_RNA)
where:
Base-Base interactions energy: -129.949
where: short stacking energy: -62.035
Base-Backbone interact. energy: -0.460
local terms energy: -81.531412
where:
bonds (distance) C4'-P energy: -16.922
bonds (distance) P-C4' energy: -20.078
flat angles C4'-P-C4' energy: -17.670
flat angles P-C4'-P energy: -9.169
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: 4, replica: 4
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -202.708437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.708437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.708437 (E_RNA)
where:
Base-Base interactions energy: -127.838
where: short stacking energy: -71.958
Base-Backbone interact. energy: -0.104
local terms energy: -74.765835
where:
bonds (distance) C4'-P energy: -15.982
bonds (distance) P-C4' energy: -16.040
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -19.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -220.056827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.056827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.056827 (E_RNA)
where:
Base-Base interactions energy: -146.471
where: short stacking energy: -58.360
Base-Backbone interact. energy: -0.136
local terms energy: -73.449204
where:
bonds (distance) C4'-P energy: -13.674
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -16.320
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -15.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -189.445959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.445959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.445959 (E_RNA)
where:
Base-Base interactions energy: -120.456
where: short stacking energy: -57.728
Base-Backbone interact. energy: -0.095
local terms energy: -68.895016
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -16.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -105.388555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.388555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.388555 (E_RNA)
where:
Base-Base interactions energy: -38.998
where: short stacking energy: -38.204
Base-Backbone interact. energy: -1.083
local terms energy: -65.307510
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: -9.871
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: 5
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -110.533094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.533094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.533094 (E_RNA)
where:
Base-Base interactions energy: -47.473
where: short stacking energy: -36.276
Base-Backbone interact. energy: -0.235
local terms energy: -62.825054
where:
bonds (distance) C4'-P energy: -14.370
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -6.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -85.832954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.832954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.832954 (E_RNA)
where:
Base-Base interactions energy: -32.908
where: short stacking energy: -24.098
Base-Backbone interact. energy: -0.139
local terms energy: -52.786016
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -18.668
flat angles C4'-P-C4' energy: -13.030
flat angles P-C4'-P energy: -5.096
tors. eta vs tors. theta energy: -3.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -78.924198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.924198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.924198 (E_RNA)
where:
Base-Base interactions energy: -33.655
where: short stacking energy: -12.371
Base-Backbone interact. energy: 1.037
local terms energy: -46.305917
where:
bonds (distance) C4'-P energy: -11.868
bonds (distance) P-C4' energy: -20.070
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -6.812
tors. eta vs tors. theta energy: 4.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -260.846316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.846316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.846316 (E_RNA)
where:
Base-Base interactions energy: -166.980
where: short stacking energy: -86.297
Base-Backbone interact. energy: -0.064
local terms energy: -93.802473
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -20.390
flat angles C4'-P-C4' energy: -18.255
flat angles P-C4'-P energy: -13.769
tors. eta vs tors. theta energy: -27.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -226.020679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.020679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.020679 (E_RNA)
where:
Base-Base interactions energy: -146.488
where: short stacking energy: -67.773
Base-Backbone interact. energy: -0.912
local terms energy: -78.620555
where:
bonds (distance) C4'-P energy: -18.269
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -17.156
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -18.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -201.489595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.489595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.489595 (E_RNA)
where:
Base-Base interactions energy: -121.028
where: short stacking energy: -62.914
Base-Backbone interact. energy: -1.199
local terms energy: -79.262213
where:
bonds (distance) C4'-P energy: -16.490
bonds (distance) P-C4' energy: -17.174
flat angles C4'-P-C4' energy: -19.691
flat angles P-C4'-P energy: -7.315
tors. eta vs tors. theta energy: -18.592
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: 4
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -208.005010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.005010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.005010 (E_RNA)
where:
Base-Base interactions energy: -130.321
where: short stacking energy: -74.000
Base-Backbone interact. energy: -0.105
local terms energy: -77.579508
where:
bonds (distance) C4'-P energy: -11.276
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -16.911
flat angles P-C4'-P energy: -13.134
tors. eta vs tors. theta energy: -19.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -214.553479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.553479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.553479 (E_RNA)
where:
Base-Base interactions energy: -150.404
where: short stacking energy: -54.368
Base-Backbone interact. energy: -0.135
local terms energy: -64.014068
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -13.875
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -10.125
tors. eta vs tors. theta energy: -11.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -185.377848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.377848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.377848 (E_RNA)
where:
Base-Base interactions energy: -116.453
where: short stacking energy: -60.660
Base-Backbone interact. energy: -0.025
local terms energy: -68.899746
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -9.673
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: -20.424
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: 8
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -100.493847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.493847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.493847 (E_RNA)
where:
Base-Base interactions energy: -40.883
where: short stacking energy: -35.344
Base-Backbone interact. energy: -0.277
local terms energy: -59.333201
where:
bonds (distance) C4'-P energy: -18.194
bonds (distance) P-C4' energy: -12.334
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -1.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -103.081987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.081987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.081987 (E_RNA)
where:
Base-Base interactions energy: -42.670
where: short stacking energy: -30.966
Base-Backbone interact. energy: -0.382
local terms energy: -60.030200
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -18.886
flat angles C4'-P-C4' energy: -17.243
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -0.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -97.451908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.451908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.451908 (E_RNA)
where:
Base-Base interactions energy: -34.796
where: short stacking energy: -32.030
Base-Backbone interact. energy: -0.055
local terms energy: -62.601383
where:
bonds (distance) C4'-P energy: -15.753
bonds (distance) P-C4' energy: -15.091
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -6.750
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: 2
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -80.146145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.146145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.146145 (E_RNA)
where:
Base-Base interactions energy: -21.966
where: short stacking energy: -21.966
Base-Backbone interact. energy: 0.248
local terms energy: -58.428567
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -12.900
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -7.276
tors. eta vs tors. theta energy: -10.127
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: 6
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -272.423785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.423785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.423785 (E_RNA)
where:
Base-Base interactions energy: -179.899
where: short stacking energy: -85.290
Base-Backbone interact. energy: 0.702
local terms energy: -93.226543
where:
bonds (distance) C4'-P energy: -15.147
bonds (distance) P-C4' energy: -19.263
flat angles C4'-P-C4' energy: -19.404
flat angles P-C4'-P energy: -15.479
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: 2, replica: 10
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -225.982623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.982623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.982623 (E_RNA)
where:
Base-Base interactions energy: -142.585
where: short stacking energy: -58.441
Base-Backbone interact. energy: 1.179
local terms energy: -84.576331
where:
bonds (distance) C4'-P energy: -19.841
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -11.084
tors. eta vs tors. theta energy: -18.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -201.100510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.100510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.100510 (E_RNA)
where:
Base-Base interactions energy: -122.461
where: short stacking energy: -64.892
Base-Backbone interact. energy: -0.715
local terms energy: -77.924359
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -20.182
flat angles C4'-P-C4' energy: -17.081
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -17.863
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: 1
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -208.917679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.917679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.917679 (E_RNA)
where:
Base-Base interactions energy: -130.757
where: short stacking energy: -56.364
Base-Backbone interact. energy: -0.467
local terms energy: -77.693429
where:
bonds (distance) C4'-P energy: -16.683
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -15.355
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -20.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -186.803760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.803760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.803760 (E_RNA)
where:
Base-Base interactions energy: -111.271
where: short stacking energy: -50.099
Base-Backbone interact. energy: -0.131
local terms energy: -75.400986
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -13.121
tors. eta vs tors. theta energy: -15.515
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: 6, replica: 3
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -185.970261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.970261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.970261 (E_RNA)
where:
Base-Base interactions energy: -114.438
where: short stacking energy: -60.425
Base-Backbone interact. energy: -0.020
local terms energy: -71.511886
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -11.402
flat angles C4'-P-C4' energy: -16.419
flat angles P-C4'-P energy: -9.947
tors. eta vs tors. theta energy: -18.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -93.765089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.765089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.765089 (E_RNA)
where:
Base-Base interactions energy: -33.006
where: short stacking energy: -33.006
Base-Backbone interact. energy: -0.255
local terms energy: -60.504162
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -16.736
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -4.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -92.804177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.804177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.804177 (E_RNA)
where:
Base-Base interactions energy: -45.541
where: short stacking energy: -19.614
Base-Backbone interact. energy: 2.635
local terms energy: -49.898362
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -6.639
flat angles P-C4'-P energy: -11.767
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: 9, replica: 5
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -82.522502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.522502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.522502 (E_RNA)
where:
Base-Base interactions energy: -32.112
where: short stacking energy: -26.808
Base-Backbone interact. energy: -0.469
local terms energy: -49.940859
where:
bonds (distance) C4'-P energy: -10.425
bonds (distance) P-C4' energy: -15.817
flat angles C4'-P-C4' energy: -10.374
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -1.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -86.966291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.966291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.966291 (E_RNA)
where:
Base-Base interactions energy: -32.041
where: short stacking energy: -27.322
Base-Backbone interact. energy: -0.151
local terms energy: -54.774367
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -20.401
flat angles C4'-P-C4' energy: -10.221
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -0.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -263.700317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.700317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.700317 (E_RNA)
where:
Base-Base interactions energy: -166.592
where: short stacking energy: -83.153
Base-Backbone interact. energy: -0.223
local terms energy: -96.884788
where:
bonds (distance) C4'-P energy: -19.146
bonds (distance) P-C4' energy: -18.815
flat angles C4'-P-C4' energy: -19.106
flat angles P-C4'-P energy: -14.378
tors. eta vs tors. theta energy: -25.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -227.718470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.718470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.718470 (E_RNA)
where:
Base-Base interactions energy: -143.381
where: short stacking energy: -62.124
Base-Backbone interact. energy: -0.066
local terms energy: -84.271893
where:
bonds (distance) C4'-P energy: -17.072
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -19.599
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -19.618
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: 1
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -200.102303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.102303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.102303 (E_RNA)
where:
Base-Base interactions energy: -130.943
where: short stacking energy: -68.436
Base-Backbone interact. energy: -0.204
local terms energy: -68.954578
where:
bonds (distance) C4'-P energy: -12.291
bonds (distance) P-C4' energy: -17.170
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -12.842
tors. eta vs tors. theta energy: -11.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -183.288208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.288208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.288208 (E_RNA)
where:
Base-Base interactions energy: -110.402
where: short stacking energy: -57.166
Base-Backbone interact. energy: -0.136
local terms energy: -72.750095
where:
bonds (distance) C4'-P energy: -16.660
bonds (distance) P-C4' energy: -17.356
flat angles C4'-P-C4' energy: -17.064
flat angles P-C4'-P energy: -4.882
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: 5, replica: 4
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -183.483517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.483517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.483517 (E_RNA)
where:
Base-Base interactions energy: -112.350
where: short stacking energy: -49.743
Base-Backbone interact. energy: -0.689
local terms energy: -70.443973
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -17.803
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -8.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -177.903056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.903056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.903056 (E_RNA)
where:
Base-Base interactions energy: -110.881
where: short stacking energy: -56.228
Base-Backbone interact. energy: -0.770
local terms energy: -66.251867
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -10.548
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -13.458
tors. eta vs tors. theta energy: -14.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -96.491649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.491649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.491649 (E_RNA)
where:
Base-Base interactions energy: -40.694
where: short stacking energy: -23.002
Base-Backbone interact. energy: 0.059
local terms energy: -55.856218
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -3.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -108.831867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.831867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.831867 (E_RNA)
where:
Base-Base interactions energy: -52.118
where: short stacking energy: -18.799
Base-Backbone interact. energy: 0.332
local terms energy: -57.045147
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -17.923
flat angles C4'-P-C4' energy: -13.827
flat angles P-C4'-P energy: -14.443
tors. eta vs tors. theta energy: 4.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -91.439009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.439009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.439009 (E_RNA)
where:
Base-Base interactions energy: -31.842
where: short stacking energy: -31.469
Base-Backbone interact. energy: -0.141
local terms energy: -59.456416
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -15.433
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -4.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -81.543001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.543001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.543001 (E_RNA)
where:
Base-Base interactions energy: -30.001
where: short stacking energy: -29.209
Base-Backbone interact. energy: -0.185
local terms energy: -51.356995
where:
bonds (distance) C4'-P energy: -18.541
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -2.465
tors. eta vs tors. theta energy: -0.984
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: 6
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -264.579052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.579052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.579052 (E_RNA)
where:
Base-Base interactions energy: -172.789
where: short stacking energy: -78.240
Base-Backbone interact. energy: -0.000
local terms energy: -91.789974
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -18.970
flat angles C4'-P-C4' energy: -19.198
flat angles P-C4'-P energy: -15.876
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: 2, replica: 1
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -232.891096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.891096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.891096 (E_RNA)
where:
Base-Base interactions energy: -152.138
where: short stacking energy: -70.272
Base-Backbone interact. energy: -0.102
local terms energy: -80.650763
where:
bonds (distance) C4'-P energy: -15.367
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -20.563
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -18.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -230.615898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.615898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.615898 (E_RNA)
where:
Base-Base interactions energy: -147.204
where: short stacking energy: -65.423
Base-Backbone interact. energy: -0.911
local terms energy: -82.500692
where:
bonds (distance) C4'-P energy: -18.271
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -17.364
flat angles P-C4'-P energy: -14.932
tors. eta vs tors. theta energy: -18.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -195.469274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.469274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.469274 (E_RNA)
where:
Base-Base interactions energy: -115.375
where: short stacking energy: -68.444
Base-Backbone interact. energy: -0.185
local terms energy: -79.909316
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -16.230
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -11.974
tors. eta vs tors. theta energy: -19.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -176.601770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.601770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.601770 (E_RNA)
where:
Base-Base interactions energy: -113.423
where: short stacking energy: -43.774
Base-Backbone interact. energy: -1.189
local terms energy: -61.989458
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -13.227
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -7.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -170.771871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.771871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.771871 (E_RNA)
where:
Base-Base interactions energy: -95.097
where: short stacking energy: -42.462
Base-Backbone interact. energy: -0.764
local terms energy: -74.911366
where:
bonds (distance) C4'-P energy: -13.624
bonds (distance) P-C4' energy: -17.819
flat angles C4'-P-C4' energy: -17.417
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: -14.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -101.414294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.414294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.414294 (E_RNA)
where:
Base-Base interactions energy: -51.511
where: short stacking energy: -28.967
Base-Backbone interact. energy: -0.231
local terms energy: -49.672922
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -11.623
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -3.015
tors. eta vs tors. theta energy: -3.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -80.554304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.554304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.554304 (E_RNA)
where:
Base-Base interactions energy: -28.086
where: short stacking energy: -28.086
Base-Backbone interact. energy: -0.074
local terms energy: -52.394272
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -14.391
flat angles C4'-P-C4' energy: -12.019
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -1.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -93.045028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.045028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.045028 (E_RNA)
where:
Base-Base interactions energy: -51.375
where: short stacking energy: -30.951
Base-Backbone interact. energy: -0.359
local terms energy: -41.311626
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -8.610
flat angles C4'-P-C4' energy: -12.842
flat angles P-C4'-P energy: -5.406
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: 10, replica: 5
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -85.222269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.222269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.222269 (E_RNA)
where:
Base-Base interactions energy: -31.508
where: short stacking energy: -25.142
Base-Backbone interact. energy: -0.014
local terms energy: -53.700134
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -19.414
flat angles C4'-P-C4' energy: -11.435
flat angles P-C4'-P energy: -8.988
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: 6
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -264.273828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.273828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.273828 (E_RNA)
where:
Base-Base interactions energy: -173.967
where: short stacking energy: -77.312
Base-Backbone interact. energy: -0.053
local terms energy: -90.253483
where:
bonds (distance) C4'-P energy: -17.602
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -19.547
flat angles P-C4'-P energy: -13.390
tors. eta vs tors. theta energy: -23.083
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: 1
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -235.605264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.605264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.605264 (E_RNA)
where:
Base-Base interactions energy: -156.985
where: short stacking energy: -69.549
Base-Backbone interact. energy: -0.255
local terms energy: -78.364609
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -18.251
flat angles C4'-P-C4' energy: -15.474
flat angles P-C4'-P energy: -10.546
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: 3, replica: 9
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -196.009451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.009451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.009451 (E_RNA)
where:
Base-Base interactions energy: -118.411
where: short stacking energy: -46.391
Base-Backbone interact. energy: 0.222
local terms energy: -77.819884
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -19.733
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -14.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -234.733163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.733163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.733163 (E_RNA)
where:
Base-Base interactions energy: -159.628
where: short stacking energy: -64.857
Base-Backbone interact. energy: -0.557
local terms energy: -74.548296
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -19.972
flat angles C4'-P-C4' energy: -17.164
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -16.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -177.669993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.669993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.669993 (E_RNA)
where:
Base-Base interactions energy: -101.583
where: short stacking energy: -56.258
Base-Backbone interact. energy: 0.584
local terms energy: -76.670808
where:
bonds (distance) C4'-P energy: -14.311
bonds (distance) P-C4' energy: -18.573
flat angles C4'-P-C4' energy: -11.307
flat angles P-C4'-P energy: -13.140
tors. eta vs tors. theta energy: -19.340
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: 4
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -155.598562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.598562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.598562 (E_RNA)
where:
Base-Base interactions energy: -85.755
where: short stacking energy: -35.492
Base-Backbone interact. energy: -0.546
local terms energy: -69.298269
where:
bonds (distance) C4'-P energy: -16.135
bonds (distance) P-C4' energy: -15.891
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -13.231
tors. eta vs tors. theta energy: -8.648
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: 2
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -95.629713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.629713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.629713 (E_RNA)
where:
Base-Base interactions energy: -35.492
where: short stacking energy: -35.492
Base-Backbone interact. energy: -0.027
local terms energy: -60.110267
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -17.257
flat angles C4'-P-C4' energy: -17.830
flat angles P-C4'-P energy: -6.588
tors. eta vs tors. theta energy: -2.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -102.626240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.626240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.626240 (E_RNA)
where:
Base-Base interactions energy: -53.273
where: short stacking energy: -33.556
Base-Backbone interact. energy: 2.704
local terms energy: -52.056863
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -16.641
flat angles C4'-P-C4' energy: -11.258
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -2.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -79.622687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.622687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.622687 (E_RNA)
where:
Base-Base interactions energy: -22.945
where: short stacking energy: -22.945
Base-Backbone interact. energy: -0.243
local terms energy: -56.435189
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -1.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -81.844102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.844102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.844102 (E_RNA)
where:
Base-Base interactions energy: -32.131
where: short stacking energy: -24.192
Base-Backbone interact. energy: 2.081
local terms energy: -51.793836
where:
bonds (distance) C4'-P energy: -11.085
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -13.031
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -0.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -260.757619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.757619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.757619 (E_RNA)
where:
Base-Base interactions energy: -179.344
where: short stacking energy: -78.059
Base-Backbone interact. energy: -0.404
local terms energy: -81.010076
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -19.497
flat angles C4'-P-C4' energy: -18.299
flat angles P-C4'-P energy: -8.469
tors. eta vs tors. theta energy: -22.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -236.009805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.009805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.009805 (E_RNA)
where:
Base-Base interactions energy: -152.027
where: short stacking energy: -70.808
Base-Backbone interact. energy: 0.358
local terms energy: -84.340684
where:
bonds (distance) C4'-P energy: -18.347
bonds (distance) P-C4' energy: -16.574
flat angles C4'-P-C4' energy: -20.664
flat angles P-C4'-P energy: -12.125
tors. eta vs tors. theta energy: -16.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -198.660430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.660430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.660430 (E_RNA)
where:
Base-Base interactions energy: -118.552
where: short stacking energy: -59.688
Base-Backbone interact. energy: -0.057
local terms energy: -80.051256
where:
bonds (distance) C4'-P energy: -16.869
bonds (distance) P-C4' energy: -19.620
flat angles C4'-P-C4' energy: -16.168
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -14.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -224.880658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.880658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.880658 (E_RNA)
where:
Base-Base interactions energy: -150.764
where: short stacking energy: -69.618
Base-Backbone interact. energy: -0.177
local terms energy: -73.939684
where:
bonds (distance) C4'-P energy: -16.004
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -16.157
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: 3
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -194.797504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.797504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.797504 (E_RNA)
where:
Base-Base interactions energy: -118.760
where: short stacking energy: -65.032
Base-Backbone interact. energy: -0.769
local terms energy: -75.268439
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -14.028
flat angles C4'-P-C4' energy: -17.572
flat angles P-C4'-P energy: -7.291
tors. eta vs tors. theta energy: -20.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -114.522366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.522366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.522366 (E_RNA)
where:
Base-Base interactions energy: -55.945
where: short stacking energy: -34.973
Base-Backbone interact. energy: 1.868
local terms energy: -60.445079
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -14.211
flat angles C4'-P-C4' energy: -12.333
flat angles P-C4'-P energy: -13.761
tors. eta vs tors. theta energy: -6.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -154.232136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.232136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.232136 (E_RNA)
where:
Base-Base interactions energy: -88.984
where: short stacking energy: -43.532
Base-Backbone interact. energy: -0.153
local terms energy: -65.094801
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -15.851
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -11.093
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: 5
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -88.168557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.168557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.168557 (E_RNA)
where:
Base-Base interactions energy: -27.342
where: short stacking energy: -22.290
Base-Backbone interact. energy: -0.232
local terms energy: -60.595067
where:
bonds (distance) C4'-P energy: -12.220
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -15.689
flat angles P-C4'-P energy: -13.676
tors. eta vs tors. theta energy: -2.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -87.236818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.236818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.236818 (E_RNA)
where:
Base-Base interactions energy: -36.457
where: short stacking energy: -27.320
Base-Backbone interact. energy: -0.498
local terms energy: -50.282112
where:
bonds (distance) C4'-P energy: -16.911
bonds (distance) P-C4' energy: -11.217
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -7.374
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: 10, replica: 8
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -85.283227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.283227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.283227 (E_RNA)
where:
Base-Base interactions energy: -25.411
where: short stacking energy: -25.411
Base-Backbone interact. energy: -0.808
local terms energy: -59.064518
where:
bonds (distance) C4'-P energy: -10.452
bonds (distance) P-C4' energy: -16.813
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -5.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -260.947856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.947856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.947856 (E_RNA)
where:
Base-Base interactions energy: -176.803
where: short stacking energy: -72.558
Base-Backbone interact. energy: -0.037
local terms energy: -84.108526
where:
bonds (distance) C4'-P energy: -13.446
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -17.599
flat angles P-C4'-P energy: -15.425
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: 2, replica: 1
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -240.016078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.016078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.016078 (E_RNA)
where:
Base-Base interactions energy: -160.769
where: short stacking energy: -72.788
Base-Backbone interact. energy: 2.099
local terms energy: -81.346526
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -12.235
tors. eta vs tors. theta energy: -20.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -235.908138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.908138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.908138 (E_RNA)
where:
Base-Base interactions energy: -160.053
where: short stacking energy: -77.170
Base-Backbone interact. energy: 0.335
local terms energy: -76.190147
where:
bonds (distance) C4'-P energy: -8.786
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -20.596
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: -19.916
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: 4, replica: 9
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -187.194968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.194968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.194968 (E_RNA)
where:
Base-Base interactions energy: -115.947
where: short stacking energy: -61.058
Base-Backbone interact. energy: -0.308
local terms energy: -70.939931
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -15.549
flat angles C4'-P-C4' energy: -15.158
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -14.842
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: 3
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -186.565725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.565725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.565725 (E_RNA)
where:
Base-Base interactions energy: -119.471
where: short stacking energy: -55.345
Base-Backbone interact. energy: -1.747
local terms energy: -65.347917
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -12.332
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -8.991
tors. eta vs tors. theta energy: -15.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -130.371955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.371955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.371955 (E_RNA)
where:
Base-Base interactions energy: -66.328
where: short stacking energy: -35.817
Base-Backbone interact. energy: -0.233
local terms energy: -63.811254
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -15.619
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -3.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -161.303724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.303724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.303724 (E_RNA)
where:
Base-Base interactions energy: -91.067
where: short stacking energy: -47.575
Base-Backbone interact. energy: -0.269
local terms energy: -69.968561
where:
bonds (distance) C4'-P energy: -19.344
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: -7.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -88.635480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.635480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.635480 (E_RNA)
where:
Base-Base interactions energy: -36.202
where: short stacking energy: -29.863
Base-Backbone interact. energy: -0.118
local terms energy: -52.315095
where:
bonds (distance) C4'-P energy: -16.665
bonds (distance) P-C4' energy: -9.161
flat angles C4'-P-C4' energy: -14.649
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -1.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -80.424332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.424332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.424332 (E_RNA)
where:
Base-Base interactions energy: -17.654
where: short stacking energy: -16.065
Base-Backbone interact. energy: -0.299
local terms energy: -62.471076
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -14.891
tors. eta vs tors. theta energy: -0.687
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: 134
Temperature: 1.350000
Total energy: -81.681355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.681355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.681355 (E_RNA)
where:
Base-Base interactions energy: -31.684
where: short stacking energy: -17.798
Base-Backbone interact. energy: -0.196
local terms energy: -49.802116
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -15.520
flat angles C4'-P-C4' energy: -8.385
flat angles P-C4'-P energy: -9.504
tors. eta vs tors. theta energy: -1.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -256.858582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.858582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.858582 (E_RNA)
where:
Base-Base interactions energy: -173.784
where: short stacking energy: -78.348
Base-Backbone interact. energy: -0.380
local terms energy: -82.694670
where:
bonds (distance) C4'-P energy: -14.926
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -17.485
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -22.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -240.319927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.319927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.319927 (E_RNA)
where:
Base-Base interactions energy: -159.009
where: short stacking energy: -72.363
Base-Backbone interact. energy: -0.146
local terms energy: -81.164959
where:
bonds (distance) C4'-P energy: -14.994
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -21.441
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: 1
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -236.075848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.075848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.075848 (E_RNA)
where:
Base-Base interactions energy: -156.711
where: short stacking energy: -73.464
Base-Backbone interact. energy: -0.188
local terms energy: -79.177047
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -20.296
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: 4, replica: 9
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -188.173019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.173019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.173019 (E_RNA)
where:
Base-Base interactions energy: -113.389
where: short stacking energy: -58.044
Base-Backbone interact. energy: -0.202
local terms energy: -74.581993
where:
bonds (distance) C4'-P energy: -12.470
bonds (distance) P-C4' energy: -18.650
flat angles C4'-P-C4' energy: -18.686
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -14.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -187.453035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.453035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.453035 (E_RNA)
where:
Base-Base interactions energy: -111.809
where: short stacking energy: -52.198
Base-Backbone interact. energy: -0.757
local terms energy: -74.886815
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -7.998
tors. eta vs tors. theta energy: -22.653
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: 6, replica: 4
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -166.096922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.096922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.096922 (E_RNA)
where:
Base-Base interactions energy: -90.493
where: short stacking energy: -59.452
Base-Backbone interact. energy: -0.140
local terms energy: -75.463831
where:
bonds (distance) C4'-P energy: -18.864
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -9.283
tors. eta vs tors. theta energy: -14.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -104.400687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.400687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.400687 (E_RNA)
where:
Base-Base interactions energy: -40.088
where: short stacking energy: -40.088
Base-Backbone interact. energy: -0.157
local terms energy: -64.155867
where:
bonds (distance) C4'-P energy: -17.782
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -8.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -100.809074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.809074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.809074 (E_RNA)
where:
Base-Base interactions energy: -31.814
where: short stacking energy: -33.214
Base-Backbone interact. energy: -0.106
local terms energy: -68.888236
where:
bonds (distance) C4'-P energy: -18.235
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -8.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -95.833007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.833007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.833007 (E_RNA)
where:
Base-Base interactions energy: -32.867
where: short stacking energy: -30.199
Base-Backbone interact. energy: -0.268
local terms energy: -62.698164
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -19.307
flat angles C4'-P-C4' energy: -10.711
flat angles P-C4'-P energy: -15.029
tors. eta vs tors. theta energy: -1.823
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: 135
Temperature: 1.350000
Total energy: -80.569948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.569948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.569948 (E_RNA)
where:
Base-Base interactions energy: -19.274
where: short stacking energy: -18.823
Base-Backbone interact. energy: -1.164
local terms energy: -60.131418
where:
bonds (distance) C4'-P energy: -17.254
bonds (distance) P-C4' energy: -20.649
flat angles C4'-P-C4' energy: -10.778
flat angles P-C4'-P energy: -9.721
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: 1, replica: 6
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -260.402532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.402532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.402532 (E_RNA)
where:
Base-Base interactions energy: -170.928
where: short stacking energy: -88.235
Base-Backbone interact. energy: -0.104
local terms energy: -89.370338
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -18.220
flat angles C4'-P-C4' energy: -18.944
flat angles P-C4'-P energy: -11.971
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: 2, replica: 10
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -231.001378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.001378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.001378 (E_RNA)
where:
Base-Base interactions energy: -157.156
where: short stacking energy: -66.085
Base-Backbone interact. energy: -0.291
local terms energy: -73.553916
where:
bonds (distance) C4'-P energy: -12.800
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -18.032
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -16.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -197.959513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.959513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.959513 (E_RNA)
where:
Base-Base interactions energy: -122.677
where: short stacking energy: -65.696
Base-Backbone interact. energy: -0.300
local terms energy: -74.981871
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -8.730
tors. eta vs tors. theta energy: -19.384
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: 1
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -229.571895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.571895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.571895 (E_RNA)
where:
Base-Base interactions energy: -147.093
where: short stacking energy: -72.264
Base-Backbone interact. energy: -0.035
local terms energy: -82.443657
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -18.820
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -13.621
tors. eta vs tors. theta energy: -20.858
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: 3
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -182.423295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.423295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.423295 (E_RNA)
where:
Base-Base interactions energy: -108.428
where: short stacking energy: -52.164
Base-Backbone interact. energy: -0.175
local terms energy: -73.820029
where:
bonds (distance) C4'-P energy: -16.168
bonds (distance) P-C4' energy: -14.157
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -8.560
tors. eta vs tors. theta energy: -18.668
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: 6, replica: 4
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -156.267724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.267724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.267724 (E_RNA)
where:
Base-Base interactions energy: -90.298
where: short stacking energy: -48.310
Base-Backbone interact. energy: -1.615
local terms energy: -64.354717
where:
bonds (distance) C4'-P energy: -18.383
bonds (distance) P-C4' energy: -13.428
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: -7.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -99.184069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.184069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.184069 (E_RNA)
where:
Base-Base interactions energy: -34.480
where: short stacking energy: -27.933
Base-Backbone interact. energy: -0.328
local terms energy: -64.376899
where:
bonds (distance) C4'-P energy: -18.248
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -9.746
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: 8, replica: 2
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -86.808065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.808065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.808065 (E_RNA)
where:
Base-Base interactions energy: -27.545
where: short stacking energy: -26.504
Base-Backbone interact. energy: -0.004
local terms energy: -59.259053
where:
bonds (distance) C4'-P energy: -16.830
bonds (distance) P-C4' energy: -14.459
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -4.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -77.830804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.830804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.830804 (E_RNA)
where:
Base-Base interactions energy: -30.943
where: short stacking energy: -26.743
Base-Backbone interact. energy: -0.488
local terms energy: -46.400090
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -13.593
flat angles C4'-P-C4' energy: -9.465
flat angles P-C4'-P energy: -6.450
tors. eta vs tors. theta energy: 0.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -78.244221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.244221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.244221 (E_RNA)
where:
Base-Base interactions energy: -25.307
where: short stacking energy: -25.307
Base-Backbone interact. energy: -0.130
local terms energy: -52.807273
where:
bonds (distance) C4'-P energy: -7.655
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -12.627
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -5.599
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: 6
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -258.756475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.756475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.756475 (E_RNA)
where:
Base-Base interactions energy: -168.524
where: short stacking energy: -73.904
Base-Backbone interact. energy: -0.098
local terms energy: -90.134275
where:
bonds (distance) C4'-P energy: -17.006
bonds (distance) P-C4' energy: -17.164
flat angles C4'-P-C4' energy: -18.293
flat angles P-C4'-P energy: -13.913
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: 2, replica: 10
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -235.783761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.783761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.783761 (E_RNA)
where:
Base-Base interactions energy: -148.883
where: short stacking energy: -59.357
Base-Backbone interact. energy: -0.332
local terms energy: -86.568503
where:
bonds (distance) C4'-P energy: -20.793
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -16.997
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -19.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -181.470274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.470274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.470274 (E_RNA)
where:
Base-Base interactions energy: -108.061
where: short stacking energy: -45.753
Base-Backbone interact. energy: 0.031
local terms energy: -73.440572
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -18.015
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: -14.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -193.545190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.545190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.545190 (E_RNA)
where:
Base-Base interactions energy: -105.948
where: short stacking energy: -55.741
Base-Backbone interact. energy: -0.692
local terms energy: -86.904519
where:
bonds (distance) C4'-P energy: -18.107
bonds (distance) P-C4' energy: -18.706
flat angles C4'-P-C4' energy: -17.521
flat angles P-C4'-P energy: -12.107
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: 137
Temperature: 1.100000
Total energy: -223.557093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.557093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.557093 (E_RNA)
where:
Base-Base interactions energy: -140.898
where: short stacking energy: -67.052
Base-Backbone interact. energy: -0.257
local terms energy: -82.402398
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -17.912
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -18.685
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: 137
Temperature: 1.150000
Total energy: -179.438997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.438997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.438997 (E_RNA)
where:
Base-Base interactions energy: -113.595
where: short stacking energy: -56.372
Base-Backbone interact. energy: -0.878
local terms energy: -64.965627
where:
bonds (distance) C4'-P energy: -17.949
bonds (distance) P-C4' energy: -18.620
flat angles C4'-P-C4' energy: -7.169
flat angles P-C4'-P energy: -7.370
tors. eta vs tors. theta energy: -13.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -93.152342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.152342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.152342 (E_RNA)
where:
Base-Base interactions energy: -46.550
where: short stacking energy: -12.371
Base-Backbone interact. energy: -0.171
local terms energy: -46.430772
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -18.302
flat angles C4'-P-C4' energy: -10.690
flat angles P-C4'-P energy: -9.882
tors. eta vs tors. theta energy: 9.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -99.483445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.483445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.483445 (E_RNA)
where:
Base-Base interactions energy: -34.959
where: short stacking energy: -34.959
Base-Backbone interact. energy: -0.018
local terms energy: -64.507105
where:
bonds (distance) C4'-P energy: -18.293
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -7.382
tors. eta vs tors. theta energy: -8.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -100.482715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.482715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.482715 (E_RNA)
where:
Base-Base interactions energy: -37.494
where: short stacking energy: -36.532
Base-Backbone interact. energy: -0.272
local terms energy: -62.717309
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -19.381
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -6.367
tors. eta vs tors. theta energy: -8.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -85.137453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.137453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.137453 (E_RNA)
where:
Base-Base interactions energy: -23.301
where: short stacking energy: -21.767
Base-Backbone interact. energy: -0.064
local terms energy: -61.772320
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -17.038
flat angles C4'-P-C4' energy: -16.419
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: -4.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -261.240993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.240993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.240993 (E_RNA)
where:
Base-Base interactions energy: -164.425
where: short stacking energy: -77.198
Base-Backbone interact. energy: -0.544
local terms energy: -96.271294
where:
bonds (distance) C4'-P energy: -18.408
bonds (distance) P-C4' energy: -19.365
flat angles C4'-P-C4' energy: -16.783
flat angles P-C4'-P energy: -16.606
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: 2, replica: 10
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -236.440494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.440494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.440494 (E_RNA)
where:
Base-Base interactions energy: -160.487
where: short stacking energy: -65.796
Base-Backbone interact. energy: 1.058
local terms energy: -77.011182
where:
bonds (distance) C4'-P energy: -18.023
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -18.280
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -14.117
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: 138
Temperature: 1.000000
Total energy: -200.541038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.541038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.541038 (E_RNA)
where:
Base-Base interactions energy: -118.384
where: short stacking energy: -65.603
Base-Backbone interact. energy: -0.257
local terms energy: -81.900417
where:
bonds (distance) C4'-P energy: -17.486
bonds (distance) P-C4' energy: -19.932
flat angles C4'-P-C4' energy: -17.665
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -16.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -185.900258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.900258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.900258 (E_RNA)
where:
Base-Base interactions energy: -108.712
where: short stacking energy: -51.697
Base-Backbone interact. energy: -0.196
local terms energy: -76.991884
where:
bonds (distance) C4'-P energy: -18.421
bonds (distance) P-C4' energy: -16.613
flat angles C4'-P-C4' energy: -16.533
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -16.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -221.712983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.712983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.712983 (E_RNA)
where:
Base-Base interactions energy: -144.859
where: short stacking energy: -67.951
Base-Backbone interact. energy: -0.187
local terms energy: -76.667136
where:
bonds (distance) C4'-P energy: -19.468
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -18.686
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: 4
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -179.732093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.732093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.732093 (E_RNA)
where:
Base-Base interactions energy: -112.341
where: short stacking energy: -51.200
Base-Backbone interact. energy: -0.215
local terms energy: -67.175769
where:
bonds (distance) C4'-P energy: -15.110
bonds (distance) P-C4' energy: -11.541
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -13.112
tors. eta vs tors. theta energy: -10.934
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: 5
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -91.228262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.228262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.228262 (E_RNA)
where:
Base-Base interactions energy: -30.909
where: short stacking energy: -29.453
Base-Backbone interact. energy: 0.354
local terms energy: -60.672745
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -12.443
tors. eta vs tors. theta energy: -2.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -83.758929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.758929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.758929 (E_RNA)
where:
Base-Base interactions energy: -29.333
where: short stacking energy: -23.400
Base-Backbone interact. energy: -0.392
local terms energy: -54.033592
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -16.683
flat angles C4'-P-C4' energy: -9.706
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -3.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -81.894139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.894139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.894139 (E_RNA)
where:
Base-Base interactions energy: -27.732
where: short stacking energy: -27.732
Base-Backbone interact. energy: -1.132
local terms energy: -53.030636
where:
bonds (distance) C4'-P energy: -16.714
bonds (distance) P-C4' energy: -9.745
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: 1.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -78.204292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.204292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.204292 (E_RNA)
where:
Base-Base interactions energy: -34.009
where: short stacking energy: -30.086
Base-Backbone interact. energy: -0.467
local terms energy: -43.728339
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -3.772
tors. eta vs tors. theta energy: 3.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -256.582560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.582560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.582560 (E_RNA)
where:
Base-Base interactions energy: -168.973
where: short stacking energy: -84.011
Base-Backbone interact. energy: -0.312
local terms energy: -87.297922
where:
bonds (distance) C4'-P energy: -16.488
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -18.717
flat angles P-C4'-P energy: -11.050
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: 10
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -230.585791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.585791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.585791 (E_RNA)
where:
Base-Base interactions energy: -151.269
where: short stacking energy: -59.727
Base-Backbone interact. energy: 0.464
local terms energy: -79.780432
where:
bonds (distance) C4'-P energy: -17.138
bonds (distance) P-C4' energy: -19.052
flat angles C4'-P-C4' energy: -18.758
flat angles P-C4'-P energy: -15.689
tors. eta vs tors. theta energy: -9.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -199.352327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.352327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.352327 (E_RNA)
where:
Base-Base interactions energy: -128.872
where: short stacking energy: -49.823
Base-Backbone interact. energy: 0.380
local terms energy: -70.860614
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -19.147
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -14.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -224.227172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.227172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.227172 (E_RNA)
where:
Base-Base interactions energy: -146.679
where: short stacking energy: -64.028
Base-Backbone interact. energy: -0.173
local terms energy: -77.374271
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -19.163
flat angles P-C4'-P energy: -13.109
tors. eta vs tors. theta energy: -16.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -180.682854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.682854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.682854 (E_RNA)
where:
Base-Base interactions energy: -111.012
where: short stacking energy: -57.943
Base-Backbone interact. energy: -0.027
local terms energy: -69.644055
where:
bonds (distance) C4'-P energy: -12.986
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -14.657
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -16.445
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: 6, replica: 4
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -189.535122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.535122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.535122 (E_RNA)
where:
Base-Base interactions energy: -112.760
where: short stacking energy: -58.144
Base-Backbone interact. energy: -0.118
local terms energy: -76.657769
where:
bonds (distance) C4'-P energy: -17.586
bonds (distance) P-C4' energy: -12.868
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -19.308
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: 5
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -118.757932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.757932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.757932 (E_RNA)
where:
Base-Base interactions energy: -58.574
where: short stacking energy: -32.544
Base-Backbone interact. energy: -0.031
local terms energy: -60.153707
where:
bonds (distance) C4'-P energy: -16.480
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: -4.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -96.575716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.575716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.575716 (E_RNA)
where:
Base-Base interactions energy: -36.534
where: short stacking energy: -26.707
Base-Backbone interact. energy: -0.028
local terms energy: -60.013238
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -8.067
tors. eta vs tors. theta energy: -4.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -88.590146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.590146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.590146 (E_RNA)
where:
Base-Base interactions energy: -36.468
where: short stacking energy: -36.197
Base-Backbone interact. energy: 0.333
local terms energy: -52.454909
where:
bonds (distance) C4'-P energy: -8.514
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -10.903
tors. eta vs tors. theta energy: -3.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -82.326262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.326262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.326262 (E_RNA)
where:
Base-Base interactions energy: -30.183
where: short stacking energy: -19.043
Base-Backbone interact. energy: -1.614
local terms energy: -50.528986
where:
bonds (distance) C4'-P energy: -18.603
bonds (distance) P-C4' energy: -15.239
flat angles C4'-P-C4' energy: -8.119
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: 1.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -259.772297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.772297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.772297 (E_RNA)
where:
Base-Base interactions energy: -167.199
where: short stacking energy: -84.707
Base-Backbone interact. energy: -0.000
local terms energy: -92.572448
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -15.623
flat angles C4'-P-C4' energy: -19.439
flat angles P-C4'-P energy: -14.545
tors. eta vs tors. theta energy: -26.888
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: 10
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -241.274056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.274056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.274056 (E_RNA)
where:
Base-Base interactions energy: -162.217
where: short stacking energy: -72.270
Base-Backbone interact. energy: -0.766
local terms energy: -78.291706
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -18.354
flat angles P-C4'-P energy: -12.973
tors. eta vs tors. theta energy: -18.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -239.989673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.989673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.989673 (E_RNA)
where:
Base-Base interactions energy: -156.748
where: short stacking energy: -76.107
Base-Backbone interact. energy: -0.122
local terms energy: -83.119694
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -17.603
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -22.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -233.990668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.990668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.990668 (E_RNA)
where:
Base-Base interactions energy: -144.347
where: short stacking energy: -64.825
Base-Backbone interact. energy: -3.069
local terms energy: -86.574801
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -17.694
flat angles C4'-P-C4' energy: -18.844
flat angles P-C4'-P energy: -13.622
tors. eta vs tors. theta energy: -19.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -190.914183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.914183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.914183 (E_RNA)
where:
Base-Base interactions energy: -119.089
where: short stacking energy: -55.560
Base-Backbone interact. energy: 0.204
local terms energy: -72.028504
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -13.358
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -13.753
tors. eta vs tors. theta energy: -15.645
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: 140
Temperature: 1.150000
Total energy: -172.870680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.870680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.870680 (E_RNA)
where:
Base-Base interactions energy: -104.296
where: short stacking energy: -46.801
Base-Backbone interact. energy: -0.322
local terms energy: -68.252136
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -12.003
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: 8
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -92.502844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.502844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.502844 (E_RNA)
where:
Base-Base interactions energy: -38.210
where: short stacking energy: -21.025
Base-Backbone interact. energy: 1.523
local terms energy: -55.816026
where:
bonds (distance) C4'-P energy: -15.148
bonds (distance) P-C4' energy: -16.985
flat angles C4'-P-C4' energy: -16.466
flat angles P-C4'-P energy: -11.436
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: 8, replica: 5
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -88.641122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.641122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.641122 (E_RNA)
where:
Base-Base interactions energy: -32.566
where: short stacking energy: -29.627
Base-Backbone interact. energy: -0.109
local terms energy: -55.965774
where:
bonds (distance) C4'-P energy: -11.129
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -4.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -89.173176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.173176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.173176 (E_RNA)
where:
Base-Base interactions energy: -42.279
where: short stacking energy: -26.299
Base-Backbone interact. energy: -0.347
local terms energy: -46.547390
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -11.093
flat angles C4'-P-C4' energy: -11.536
flat angles P-C4'-P energy: -4.572
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: 140
Temperature: 1.350000
Total energy: -82.208889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.208889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.208889 (E_RNA)
where:
Base-Base interactions energy: -32.242
where: short stacking energy: -32.242
Base-Backbone interact. energy: -0.220
local terms energy: -49.746063
where:
bonds (distance) C4'-P energy: -10.866
bonds (distance) P-C4' energy: -11.184
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -4.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -267.797058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.797058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.797058 (E_RNA)
where:
Base-Base interactions energy: -171.537
where: short stacking energy: -79.538
Base-Backbone interact. energy: -0.019
local terms energy: -96.241851
where:
bonds (distance) C4'-P energy: -18.445
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -19.925
flat angles P-C4'-P energy: -15.175
tors. eta vs tors. theta energy: -24.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -240.254527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.254527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.254527 (E_RNA)
where:
Base-Base interactions energy: -151.260
where: short stacking energy: -64.432
Base-Backbone interact. energy: -0.981
local terms energy: -88.013010
where:
bonds (distance) C4'-P energy: -16.484
bonds (distance) P-C4' energy: -17.240
flat angles C4'-P-C4' energy: -19.975
flat angles P-C4'-P energy: -15.915
tors. eta vs tors. theta energy: -18.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -235.506276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.506276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.506276 (E_RNA)
where:
Base-Base interactions energy: -158.534
where: short stacking energy: -70.902
Base-Backbone interact. energy: -0.106
local terms energy: -76.866119
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -12.632
flat angles C4'-P-C4' energy: -17.839
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -22.338
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: 3
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -202.429969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.429969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.429969 (E_RNA)
where:
Base-Base interactions energy: -119.166
where: short stacking energy: -59.650
Base-Backbone interact. energy: -1.386
local terms energy: -81.878140
where:
bonds (distance) C4'-P energy: -19.543
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -17.244
flat angles P-C4'-P energy: -6.255
tors. eta vs tors. theta energy: -20.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -208.295281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.295281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.295281 (E_RNA)
where:
Base-Base interactions energy: -126.041
where: short stacking energy: -62.256
Base-Backbone interact. energy: -0.350
local terms energy: -81.904198
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -13.376
tors. eta vs tors. theta energy: -21.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -178.158460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.158460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.158460 (E_RNA)
where:
Base-Base interactions energy: -114.375
where: short stacking energy: -56.955
Base-Backbone interact. energy: 0.056
local terms energy: -63.839084
where:
bonds (distance) C4'-P energy: -8.234
bonds (distance) P-C4' energy: -12.745
flat angles C4'-P-C4' energy: -17.573
flat angles P-C4'-P energy: -11.477
tors. eta vs tors. theta energy: -13.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -104.998580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.998580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.998580 (E_RNA)
where:
Base-Base interactions energy: -39.485
where: short stacking energy: -30.830
Base-Backbone interact. energy: -0.356
local terms energy: -65.158205
where:
bonds (distance) C4'-P energy: -14.026
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -18.684
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: -4.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -87.308827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.308827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.308827 (E_RNA)
where:
Base-Base interactions energy: -34.796
where: short stacking energy: -16.607
Base-Backbone interact. energy: -0.504
local terms energy: -52.008735
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -14.517
flat angles C4'-P-C4' energy: -11.625
flat angles P-C4'-P energy: -13.680
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: 9, replica: 5
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -86.547482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.547482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.547482 (E_RNA)
where:
Base-Base interactions energy: -20.421
where: short stacking energy: -20.421
Base-Backbone interact. energy: -0.291
local terms energy: -65.834972
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -18.185
flat angles C4'-P-C4' energy: -17.670
flat angles P-C4'-P energy: -12.681
tors. eta vs tors. theta energy: -2.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -78.695354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.695354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.695354 (E_RNA)
where:
Base-Base interactions energy: -26.177
where: short stacking energy: -22.898
Base-Backbone interact. energy: -0.229
local terms energy: -52.289449
where:
bonds (distance) C4'-P energy: -18.880
bonds (distance) P-C4' energy: -17.286
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -4.191
tors. eta vs tors. theta energy: -0.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -262.769040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.769040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.769040 (E_RNA)
where:
Base-Base interactions energy: -173.354
where: short stacking energy: -78.667
Base-Backbone interact. energy: -0.038
local terms energy: -89.376718
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -19.364
flat angles C4'-P-C4' energy: -18.385
flat angles P-C4'-P energy: -11.513
tors. eta vs tors. theta energy: -22.645
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: 10
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -228.810166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.810166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.810166 (E_RNA)
where:
Base-Base interactions energy: -154.196
where: short stacking energy: -57.159
Base-Backbone interact. energy: -0.780
local terms energy: -73.833268
where:
bonds (distance) C4'-P energy: -16.969
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -10.979
tors. eta vs tors. theta energy: -12.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -231.849484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.849484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.849484 (E_RNA)
where:
Base-Base interactions energy: -152.849
where: short stacking energy: -72.084
Base-Backbone interact. energy: 0.142
local terms energy: -79.142556
where:
bonds (distance) C4'-P energy: -17.414
bonds (distance) P-C4' energy: -11.905
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -13.632
tors. eta vs tors. theta energy: -19.071
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: 3
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -194.825254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.825254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.825254 (E_RNA)
where:
Base-Base interactions energy: -120.497
where: short stacking energy: -60.654
Base-Backbone interact. energy: -0.985
local terms energy: -73.342863
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -9.782
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: -18.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -198.987008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.987008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.987008 (E_RNA)
where:
Base-Base interactions energy: -121.754
where: short stacking energy: -52.156
Base-Backbone interact. energy: -0.041
local terms energy: -77.191657
where:
bonds (distance) C4'-P energy: -14.801
bonds (distance) P-C4' energy: -17.248
flat angles C4'-P-C4' energy: -19.283
flat angles P-C4'-P energy: -7.410
tors. eta vs tors. theta energy: -18.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -183.918114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.918114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.918114 (E_RNA)
where:
Base-Base interactions energy: -115.654
where: short stacking energy: -39.326
Base-Backbone interact. energy: -1.265
local terms energy: -66.998953
where:
bonds (distance) C4'-P energy: -18.143
bonds (distance) P-C4' energy: -18.277
flat angles C4'-P-C4' energy: -8.680
flat angles P-C4'-P energy: -6.588
tors. eta vs tors. theta energy: -15.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -96.698034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.698034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.698034 (E_RNA)
where:
Base-Base interactions energy: -41.326
where: short stacking energy: -37.878
Base-Backbone interact. energy: -0.163
local terms energy: -55.209071
where:
bonds (distance) C4'-P energy: -9.765
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -17.825
flat angles P-C4'-P energy: -4.645
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: 8, replica: 8
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -91.342087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.342087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.342087 (E_RNA)
where:
Base-Base interactions energy: -50.799
where: short stacking energy: -29.871
Base-Backbone interact. energy: 2.297
local terms energy: -42.840018
where:
bonds (distance) C4'-P energy: -10.096
bonds (distance) P-C4' energy: -17.901
flat angles C4'-P-C4' energy: -5.579
flat angles P-C4'-P energy: -4.315
tors. eta vs tors. theta energy: -4.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -86.608088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.608088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.608088 (E_RNA)
where:
Base-Base interactions energy: -27.260
where: short stacking energy: -26.889
Base-Backbone interact. energy: -0.698
local terms energy: -58.650011
where:
bonds (distance) C4'-P energy: -18.164
bonds (distance) P-C4' energy: -13.252
flat angles C4'-P-C4' energy: -11.867
flat angles P-C4'-P energy: -12.674
tors. eta vs tors. theta energy: -2.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -78.673187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.673187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.673187 (E_RNA)
where:
Base-Base interactions energy: -25.836
where: short stacking energy: -25.836
Base-Backbone interact. energy: -0.265
local terms energy: -52.571943
where:
bonds (distance) C4'-P energy: -18.197
bonds (distance) P-C4' energy: -11.596
flat angles C4'-P-C4' energy: -11.884
flat angles P-C4'-P energy: -12.615
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: 1, replica: 6
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -260.152429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.152429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.152429 (E_RNA)
where:
Base-Base interactions energy: -165.151
where: short stacking energy: -74.826
Base-Backbone interact. energy: -2.073
local terms energy: -92.928544
where:
bonds (distance) C4'-P energy: -19.858
bonds (distance) P-C4' energy: -16.126
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -13.773
tors. eta vs tors. theta energy: -26.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -239.876445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.876445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.876445 (E_RNA)
where:
Base-Base interactions energy: -157.707
where: short stacking energy: -68.233
Base-Backbone interact. energy: -0.267
local terms energy: -81.902486
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -18.403
flat angles C4'-P-C4' energy: -19.478
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -19.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -227.557147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.557147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.557147 (E_RNA)
where:
Base-Base interactions energy: -147.963
where: short stacking energy: -66.327
Base-Backbone interact. energy: -0.166
local terms energy: -79.428279
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -15.289
flat angles P-C4'-P energy: -15.278
tors. eta vs tors. theta energy: -15.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -193.011707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.011707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.011707 (E_RNA)
where:
Base-Base interactions energy: -117.859
where: short stacking energy: -59.731
Base-Backbone interact. energy: -0.070
local terms energy: -75.083003
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -17.734
flat angles P-C4'-P energy: -4.595
tors. eta vs tors. theta energy: -20.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -191.198430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.198430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.198430 (E_RNA)
where:
Base-Base interactions energy: -108.625
where: short stacking energy: -48.911
Base-Backbone interact. energy: -0.068
local terms energy: -82.505178
where:
bonds (distance) C4'-P energy: -18.462
bonds (distance) P-C4' energy: -19.914
flat angles C4'-P-C4' energy: -16.293
flat angles P-C4'-P energy: -13.657
tors. eta vs tors. theta energy: -14.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -173.580635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.580635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.580635 (E_RNA)
where:
Base-Base interactions energy: -109.314
where: short stacking energy: -54.503
Base-Backbone interact. energy: 0.548
local terms energy: -64.814225
where:
bonds (distance) C4'-P energy: -8.663
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -12.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -99.296852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.296852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.296852 (E_RNA)
where:
Base-Base interactions energy: -45.356
where: short stacking energy: -35.590
Base-Backbone interact. energy: -0.701
local terms energy: -53.239919
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -9.580
tors. eta vs tors. theta energy: -1.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -105.715368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.715368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.715368 (E_RNA)
where:
Base-Base interactions energy: -42.233
where: short stacking energy: -42.233
Base-Backbone interact. energy: -0.100
local terms energy: -63.382340
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -11.500
flat angles P-C4'-P energy: -11.286
tors. eta vs tors. theta energy: -10.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -79.642306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.642306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.642306 (E_RNA)
where:
Base-Base interactions energy: -24.621
where: short stacking energy: -24.557
Base-Backbone interact. energy: -0.495
local terms energy: -54.526281
where:
bonds (distance) C4'-P energy: -10.902
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -17.181
flat angles P-C4'-P energy: -6.040
tors. eta vs tors. theta energy: -3.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -83.461221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.461221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.461221 (E_RNA)
where:
Base-Base interactions energy: -26.936
where: short stacking energy: -26.499
Base-Backbone interact. energy: -0.260
local terms energy: -56.265118
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -16.867
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -1.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -266.517055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.517055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.517055 (E_RNA)
where:
Base-Base interactions energy: -172.739
where: short stacking energy: -79.672
Base-Backbone interact. energy: -0.009
local terms energy: -93.769216
where:
bonds (distance) C4'-P energy: -18.473
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -18.095
flat angles P-C4'-P energy: -14.700
tors. eta vs tors. theta energy: -23.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -232.755716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.755716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.755716 (E_RNA)
where:
Base-Base interactions energy: -148.960
where: short stacking energy: -64.111
Base-Backbone interact. energy: -0.166
local terms energy: -83.629736
where:
bonds (distance) C4'-P energy: -14.437
bonds (distance) P-C4' energy: -19.517
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -13.552
tors. eta vs tors. theta energy: -19.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -245.326128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.326128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.326128 (E_RNA)
where:
Base-Base interactions energy: -160.820
where: short stacking energy: -70.756
Base-Backbone interact. energy: -0.176
local terms energy: -84.329618
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -15.563
flat angles C4'-P-C4' energy: -20.137
flat angles P-C4'-P energy: -13.105
tors. eta vs tors. theta energy: -20.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -193.276890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.276890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.276890 (E_RNA)
where:
Base-Base interactions energy: -110.662
where: short stacking energy: -62.985
Base-Backbone interact. energy: -0.896
local terms energy: -81.718945
where:
bonds (distance) C4'-P energy: -18.172
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -18.620
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -17.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -177.700381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.700381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.700381 (E_RNA)
where:
Base-Base interactions energy: -106.981
where: short stacking energy: -44.881
Base-Backbone interact. energy: -0.903
local terms energy: -69.815623
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -18.634
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -11.664
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: 4
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -151.411616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.411616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.411616 (E_RNA)
where:
Base-Base interactions energy: -78.817
where: short stacking energy: -36.390
Base-Backbone interact. energy: 0.141
local terms energy: -72.734995
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -18.043
flat angles P-C4'-P energy: -12.834
tors. eta vs tors. theta energy: -8.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -96.888035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.888035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.888035 (E_RNA)
where:
Base-Base interactions energy: -42.389
where: short stacking energy: -37.822
Base-Backbone interact. energy: -0.134
local terms energy: -54.365067
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -13.531
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -13.109
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: 2
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -95.676077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.676077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.676077 (E_RNA)
where:
Base-Base interactions energy: -38.242
where: short stacking energy: -38.242
Base-Backbone interact. energy: -0.117
local terms energy: -57.316799
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -10.702
flat angles P-C4'-P energy: -6.949
tors. eta vs tors. theta energy: -8.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -78.443140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.443140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.443140 (E_RNA)
where:
Base-Base interactions energy: -26.803
where: short stacking energy: -26.803
Base-Backbone interact. energy: -1.398
local terms energy: -50.242664
where:
bonds (distance) C4'-P energy: -17.130
bonds (distance) P-C4' energy: -18.827
flat angles C4'-P-C4' energy: -13.195
flat angles P-C4'-P energy: -3.186
tors. eta vs tors. theta energy: 2.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -84.287590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.287590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.287590 (E_RNA)
where:
Base-Base interactions energy: -27.856
where: short stacking energy: -21.988
Base-Backbone interact. energy: -0.386
local terms energy: -56.045530
where:
bonds (distance) C4'-P energy: -15.768
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -16.138
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: -3.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -260.086826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.086826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.086826 (E_RNA)
where:
Base-Base interactions energy: -171.373
where: short stacking energy: -83.445
Base-Backbone interact. energy: -0.001
local terms energy: -88.712600
where:
bonds (distance) C4'-P energy: -12.316
bonds (distance) P-C4' energy: -19.099
flat angles C4'-P-C4' energy: -17.284
flat angles P-C4'-P energy: -14.524
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: 1
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -235.813720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.813720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.813720 (E_RNA)
where:
Base-Base interactions energy: -153.476
where: short stacking energy: -63.507
Base-Backbone interact. energy: -0.952
local terms energy: -81.386361
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -20.892
flat angles C4'-P-C4' energy: -16.155
flat angles P-C4'-P energy: -12.301
tors. eta vs tors. theta energy: -17.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -219.124517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.124517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.124517 (E_RNA)
where:
Base-Base interactions energy: -143.454
where: short stacking energy: -52.367
Base-Backbone interact. energy: -0.357
local terms energy: -75.313417
where:
bonds (distance) C4'-P energy: -17.609
bonds (distance) P-C4' energy: -13.860
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -10.703
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: 4, replica: 3
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -186.322784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.322784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.322784 (E_RNA)
where:
Base-Base interactions energy: -111.361
where: short stacking energy: -46.563
Base-Backbone interact. energy: -0.372
local terms energy: -74.589955
where:
bonds (distance) C4'-P energy: -16.926
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -18.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -197.331783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.331783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.331783 (E_RNA)
where:
Base-Base interactions energy: -117.450
where: short stacking energy: -58.288
Base-Backbone interact. energy: -0.617
local terms energy: -79.264815
where:
bonds (distance) C4'-P energy: -18.098
bonds (distance) P-C4' energy: -11.726
flat angles C4'-P-C4' energy: -17.683
flat angles P-C4'-P energy: -12.731
tors. eta vs tors. theta energy: -19.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -156.739759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.739759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.739759 (E_RNA)
where:
Base-Base interactions energy: -84.858
where: short stacking energy: -45.864
Base-Backbone interact. energy: -0.110
local terms energy: -71.771551
where:
bonds (distance) C4'-P energy: -17.654
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -6.012
flat angles P-C4'-P energy: -14.467
tors. eta vs tors. theta energy: -14.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -105.772684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.772684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.772684 (E_RNA)
where:
Base-Base interactions energy: -54.947
where: short stacking energy: -28.317
Base-Backbone interact. energy: 0.253
local terms energy: -51.079466
where:
bonds (distance) C4'-P energy: -15.737
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -6.493
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -3.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -111.898986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.898986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.898986 (E_RNA)
where:
Base-Base interactions energy: -45.437
where: short stacking energy: -45.437
Base-Backbone interact. energy: -0.007
local terms energy: -66.454758
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -12.704
flat angles P-C4'-P energy: -6.796
tors. eta vs tors. theta energy: -14.036
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: 2
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -93.180912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.180912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.180912 (E_RNA)
where:
Base-Base interactions energy: -29.122
where: short stacking energy: -27.217
Base-Backbone interact. energy: -0.199
local terms energy: -63.859679
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -12.236
tors. eta vs tors. theta energy: -3.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -83.172490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.172490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.172490 (E_RNA)
where:
Base-Base interactions energy: -25.911
where: short stacking energy: -23.827
Base-Backbone interact. energy: -0.574
local terms energy: -56.687405
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -13.105
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -14.237
tors. eta vs tors. theta energy: 1.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -263.810267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.810267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.810267 (E_RNA)
where:
Base-Base interactions energy: -168.803
where: short stacking energy: -81.654
Base-Backbone interact. energy: -0.077
local terms energy: -94.931034
where:
bonds (distance) C4'-P energy: -18.259
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -18.430
flat angles P-C4'-P energy: -13.705
tors. eta vs tors. theta energy: -27.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -231.302239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.302239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.302239 (E_RNA)
where:
Base-Base interactions energy: -149.143
where: short stacking energy: -66.819
Base-Backbone interact. energy: -0.152
local terms energy: -82.008075
where:
bonds (distance) C4'-P energy: -19.754
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -18.558
flat angles P-C4'-P energy: -13.019
tors. eta vs tors. theta energy: -15.607
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: 3, replica: 10
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -225.343470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.343470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.343470 (E_RNA)
where:
Base-Base interactions energy: -147.810
where: short stacking energy: -62.078
Base-Backbone interact. energy: 0.007
local terms energy: -77.540341
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -15.249
flat angles C4'-P-C4' energy: -19.262
flat angles P-C4'-P energy: -16.517
tors. eta vs tors. theta energy: -11.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -196.567044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.567044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.567044 (E_RNA)
where:
Base-Base interactions energy: -119.903
where: short stacking energy: -59.311
Base-Backbone interact. energy: -0.053
local terms energy: -76.610628
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -18.822
flat angles P-C4'-P energy: -11.696
tors. eta vs tors. theta energy: -15.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -199.637383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.637383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.637383 (E_RNA)
where:
Base-Base interactions energy: -121.733
where: short stacking energy: -65.548
Base-Backbone interact. energy: -0.018
local terms energy: -77.886622
where:
bonds (distance) C4'-P energy: -17.142
bonds (distance) P-C4' energy: -12.569
flat angles C4'-P-C4' energy: -18.353
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -20.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -153.595291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.595291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.595291 (E_RNA)
where:
Base-Base interactions energy: -87.199
where: short stacking energy: -40.705
Base-Backbone interact. energy: -0.132
local terms energy: -66.264098
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -16.837
flat angles C4'-P-C4' energy: -17.317
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -11.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -106.912160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.912160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.912160 (E_RNA)
where:
Base-Base interactions energy: -43.415
where: short stacking energy: -39.330
Base-Backbone interact. energy: -0.017
local terms energy: -63.480089
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -8.209
tors. eta vs tors. theta energy: -9.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -102.066963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.066963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.066963 (E_RNA)
where:
Base-Base interactions energy: -51.323
where: short stacking energy: -32.437
Base-Backbone interact. energy: -0.077
local terms energy: -50.666893
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -18.442
flat angles C4'-P-C4' energy: -4.490
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -2.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -83.904816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.904816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.904816 (E_RNA)
where:
Base-Base interactions energy: -27.553
where: short stacking energy: -27.553
Base-Backbone interact. energy: -0.389
local terms energy: -55.963226
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -6.738
tors. eta vs tors. theta energy: -3.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -85.925837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.925837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.925837 (E_RNA)
where:
Base-Base interactions energy: -32.969
where: short stacking energy: -32.153
Base-Backbone interact. energy: -0.021
local terms energy: -52.935960
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -12.355
flat angles C4'-P-C4' energy: -9.288
flat angles P-C4'-P energy: -6.504
tors. eta vs tors. theta energy: -7.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -264.749983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.749983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.749983 (E_RNA)
where:
Base-Base interactions energy: -171.157
where: short stacking energy: -85.122
Base-Backbone interact. energy: -0.014
local terms energy: -93.579715
where:
bonds (distance) C4'-P energy: -18.851
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -19.536
flat angles P-C4'-P energy: -13.792
tors. eta vs tors. theta energy: -25.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -234.257720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.257720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.257720 (E_RNA)
where:
Base-Base interactions energy: -156.051
where: short stacking energy: -68.079
Base-Backbone interact. energy: -0.214
local terms energy: -77.991862
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -13.555
tors. eta vs tors. theta energy: -15.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -232.395499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.395499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.395499 (E_RNA)
where:
Base-Base interactions energy: -148.213
where: short stacking energy: -60.764
Base-Backbone interact. energy: -1.204
local terms energy: -82.978275
where:
bonds (distance) C4'-P energy: -18.951
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -19.863
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -16.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -185.416657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.416657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.416657 (E_RNA)
where:
Base-Base interactions energy: -108.346
where: short stacking energy: -56.856
Base-Backbone interact. energy: -0.058
local terms energy: -77.012656
where:
bonds (distance) C4'-P energy: -16.336
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -18.412
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -14.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -193.972672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.972672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.972672 (E_RNA)
where:
Base-Base interactions energy: -120.752
where: short stacking energy: -54.969
Base-Backbone interact. energy: -0.366
local terms energy: -72.855410
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -18.323
flat angles C4'-P-C4' energy: -10.505
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -16.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -151.027975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.027975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.027975 (E_RNA)
where:
Base-Base interactions energy: -86.662
where: short stacking energy: -47.183
Base-Backbone interact. energy: -0.108
local terms energy: -64.258333
where:
bonds (distance) C4'-P energy: -9.119
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -11.501
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: 147
Temperature: 1.200000
Total energy: -90.530700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.530700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.530700 (E_RNA)
where:
Base-Base interactions energy: -31.514
where: short stacking energy: -24.526
Base-Backbone interact. energy: -0.566
local terms energy: -58.451201
where:
bonds (distance) C4'-P energy: -14.415
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -10.372
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -6.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -87.458324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.458324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.458324 (E_RNA)
where:
Base-Base interactions energy: -41.502
where: short stacking energy: -24.623
Base-Backbone interact. energy: 0.841
local terms energy: -46.797087
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -14.133
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: 5.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -90.699286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.699286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.699286 (E_RNA)
where:
Base-Base interactions energy: -30.177
where: short stacking energy: -22.043
Base-Backbone interact. energy: -0.239
local terms energy: -60.283275
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -18.116
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -7.339
tors. eta vs tors. theta energy: -1.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -84.135926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.135926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.135926 (E_RNA)
where:
Base-Base interactions energy: -34.523
where: short stacking energy: -22.568
Base-Backbone interact. energy: -0.335
local terms energy: -49.277763
where:
bonds (distance) C4'-P energy: -16.940
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -5.221
tors. eta vs tors. theta energy: -1.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -261.043287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.043287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.043287 (E_RNA)
where:
Base-Base interactions energy: -169.112
where: short stacking energy: -83.389
Base-Backbone interact. energy: -0.058
local terms energy: -91.873224
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -19.098
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -13.785
tors. eta vs tors. theta energy: -26.078
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: 2, replica: 1
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -234.992030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.992030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.992030 (E_RNA)
where:
Base-Base interactions energy: -152.862
where: short stacking energy: -68.891
Base-Backbone interact. energy: -0.058
local terms energy: -82.072365
where:
bonds (distance) C4'-P energy: -19.158
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -19.091
flat angles P-C4'-P energy: -12.095
tors. eta vs tors. theta energy: -16.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -233.109384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.109384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.109384 (E_RNA)
where:
Base-Base interactions energy: -159.599
where: short stacking energy: -73.278
Base-Backbone interact. energy: 0.865
local terms energy: -74.375140
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -12.182
flat angles C4'-P-C4' energy: -14.435
flat angles P-C4'-P energy: -15.013
tors. eta vs tors. theta energy: -18.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -193.160853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.160853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.160853 (E_RNA)
where:
Base-Base interactions energy: -116.737
where: short stacking energy: -62.090
Base-Backbone interact. energy: -0.118
local terms energy: -76.305707
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -18.614
flat angles P-C4'-P energy: -7.863
tors. eta vs tors. theta energy: -20.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -191.614905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.614905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.614905 (E_RNA)
where:
Base-Base interactions energy: -111.605
where: short stacking energy: -56.206
Base-Backbone interact. energy: -1.133
local terms energy: -78.876729
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -18.430
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -13.222
tors. eta vs tors. theta energy: -16.894
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: 4
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -140.585895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.585895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.585895 (E_RNA)
where:
Base-Base interactions energy: -75.090
where: short stacking energy: -36.644
Base-Backbone interact. energy: -0.005
local terms energy: -65.491463
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -17.055
flat angles P-C4'-P energy: -7.945
tors. eta vs tors. theta energy: -8.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -109.190684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.190684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.190684 (E_RNA)
where:
Base-Base interactions energy: -47.150
where: short stacking energy: -39.567
Base-Backbone interact. energy: -2.628
local terms energy: -59.413017
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -18.904
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -3.367
tors. eta vs tors. theta energy: -5.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -92.079546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.079546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.079546 (E_RNA)
where:
Base-Base interactions energy: -35.813
where: short stacking energy: -33.656
Base-Backbone interact. energy: -0.003
local terms energy: -56.263018
where:
bonds (distance) C4'-P energy: -13.715
bonds (distance) P-C4' energy: -17.786
flat angles C4'-P-C4' energy: -10.956
flat angles P-C4'-P energy: -6.760
tors. eta vs tors. theta energy: -7.047
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: 2
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -83.647638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.647638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.647638 (E_RNA)
where:
Base-Base interactions energy: -25.901
where: short stacking energy: -16.358
Base-Backbone interact. energy: -0.790
local terms energy: -56.955901
where:
bonds (distance) C4'-P energy: -12.750
bonds (distance) P-C4' energy: -15.733
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -13.925
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: 8
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -86.130009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.130009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.130009 (E_RNA)
where:
Base-Base interactions energy: -31.440
where: short stacking energy: -24.756
Base-Backbone interact. energy: -0.973
local terms energy: -53.716745
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -11.697
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -6.883
tors. eta vs tors. theta energy: -8.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -269.314871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.314871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.314871 (E_RNA)
where:
Base-Base interactions energy: -175.234
where: short stacking energy: -79.978
Base-Backbone interact. energy: -0.103
local terms energy: -93.977704
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -18.828
flat angles C4'-P-C4' energy: -21.820
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -26.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -237.233224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.233224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.233224 (E_RNA)
where:
Base-Base interactions energy: -153.738
where: short stacking energy: -65.729
Base-Backbone interact. energy: -0.044
local terms energy: -83.451410
where:
bonds (distance) C4'-P energy: -17.433
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -18.515
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -16.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -221.808667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.808667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.808667 (E_RNA)
where:
Base-Base interactions energy: -134.329
where: short stacking energy: -61.279
Base-Backbone interact. energy: -0.763
local terms energy: -86.716203
where:
bonds (distance) C4'-P energy: -15.661
bonds (distance) P-C4' energy: -20.426
flat angles C4'-P-C4' energy: -18.806
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -20.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -194.332008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.332008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.332008 (E_RNA)
where:
Base-Base interactions energy: -120.173
where: short stacking energy: -58.306
Base-Backbone interact. energy: -1.118
local terms energy: -73.040864
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -18.868
flat angles C4'-P-C4' energy: -12.811
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: -18.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -191.330388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.330388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.330388 (E_RNA)
where:
Base-Base interactions energy: -113.930
where: short stacking energy: -54.595
Base-Backbone interact. energy: -0.532
local terms energy: -76.868453
where:
bonds (distance) C4'-P energy: -18.757
bonds (distance) P-C4' energy: -17.915
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -16.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -153.660089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.660089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.660089 (E_RNA)
where:
Base-Base interactions energy: -85.155
where: short stacking energy: -40.479
Base-Backbone interact. energy: -0.274
local terms energy: -68.231865
where:
bonds (distance) C4'-P energy: -17.701
bonds (distance) P-C4' energy: -14.680
flat angles C4'-P-C4' energy: -16.156
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -9.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -94.681689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.681689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.681689 (E_RNA)
where:
Base-Base interactions energy: -37.651
where: short stacking energy: -32.169
Base-Backbone interact. energy: -0.186
local terms energy: -56.845472
where:
bonds (distance) C4'-P energy: -14.804
bonds (distance) P-C4' energy: -19.320
flat angles C4'-P-C4' energy: -11.785
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -0.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -88.396260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.396260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.396260 (E_RNA)
where:
Base-Base interactions energy: -28.320
where: short stacking energy: -24.917
Base-Backbone interact. energy: -0.142
local terms energy: -59.934034
where:
bonds (distance) C4'-P energy: -17.895
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -12.080
tors. eta vs tors. theta energy: -0.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -94.961241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.961241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.961241 (E_RNA)
where:
Base-Base interactions energy: -30.079
where: short stacking energy: -30.079
Base-Backbone interact. energy: -0.709
local terms energy: -64.173456
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -18.041
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -7.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -86.550197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.550197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.550197 (E_RNA)
where:
Base-Base interactions energy: -23.863
where: short stacking energy: -22.488
Base-Backbone interact. energy: -0.108
local terms energy: -62.579139
where:
bonds (distance) C4'-P energy: -13.323
bonds (distance) P-C4' energy: -19.743
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -7.316
tors. eta vs tors. theta energy: -7.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -266.766493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.766493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.766493 (E_RNA)
where:
Base-Base interactions energy: -170.130
where: short stacking energy: -82.611
Base-Backbone interact. energy: -0.015
local terms energy: -96.621376
where:
bonds (distance) C4'-P energy: -18.440
bonds (distance) P-C4' energy: -18.528
flat angles C4'-P-C4' energy: -18.958
flat angles P-C4'-P energy: -13.433
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: 2, replica: 1
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -233.725868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.725868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.725868 (E_RNA)
where:
Base-Base interactions energy: -153.381
where: short stacking energy: -65.093
Base-Backbone interact. energy: -0.136
local terms energy: -80.209255
where:
bonds (distance) C4'-P energy: -14.316
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -18.770
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: -18.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -204.726872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.726872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.726872 (E_RNA)
where:
Base-Base interactions energy: -128.274
where: short stacking energy: -62.035
Base-Backbone interact. energy: -0.455
local terms energy: -75.997663
where:
bonds (distance) C4'-P energy: -10.576
bonds (distance) P-C4' energy: -16.789
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -13.707
tors. eta vs tors. theta energy: -18.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -213.011333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.011333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.011333 (E_RNA)
where:
Base-Base interactions energy: -141.843
where: short stacking energy: -56.666
Base-Backbone interact. energy: -0.219
local terms energy: -70.949119
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -14.186
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: 9
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -178.064801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.064801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.064801 (E_RNA)
where:
Base-Base interactions energy: -103.000
where: short stacking energy: -46.171
Base-Backbone interact. energy: -0.320
local terms energy: -74.744470
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -13.990
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: 4
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -143.884962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.884962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.884962 (E_RNA)
where:
Base-Base interactions energy: -80.393
where: short stacking energy: -40.213
Base-Backbone interact. energy: -0.258
local terms energy: -63.233772
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -13.198
flat angles P-C4'-P energy: -11.467
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: 7, replica: 2
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -96.169130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.169130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.169130 (E_RNA)
where:
Base-Base interactions energy: -33.990
where: short stacking energy: -32.985
Base-Backbone interact. energy: -0.005
local terms energy: -62.174614
where:
bonds (distance) C4'-P energy: -12.486
bonds (distance) P-C4' energy: -19.525
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -12.032
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: 8, replica: 7
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -99.775406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.775406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.775406 (E_RNA)
where:
Base-Base interactions energy: -40.731
where: short stacking energy: -28.634
Base-Backbone interact. energy: -0.396
local terms energy: -58.648227
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -21.318
flat angles C4'-P-C4' energy: -17.142
flat angles P-C4'-P energy: -11.688
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: 9, replica: 8
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -92.311990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.311990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.311990 (E_RNA)
where:
Base-Base interactions energy: -37.841
where: short stacking energy: -34.068
Base-Backbone interact. energy: -0.041
local terms energy: -54.430344
where:
bonds (distance) C4'-P energy: -13.392
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -6.379
tors. eta vs tors. theta energy: -3.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -82.842782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.842782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.842782 (E_RNA)
where:
Base-Base interactions energy: -25.547
where: short stacking energy: -25.547
Base-Backbone interact. energy: 0.319
local terms energy: -57.614793
where:
bonds (distance) C4'-P energy: -17.887
bonds (distance) P-C4' energy: -17.457
flat angles C4'-P-C4' energy: -10.719
flat angles P-C4'-P energy: -9.567
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: 6
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -264.553161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.553161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.553161 (E_RNA)
where:
Base-Base interactions energy: -174.043
where: short stacking energy: -81.722
Base-Backbone interact. energy: -1.583
local terms energy: -88.926765
where:
bonds (distance) C4'-P energy: -19.385
bonds (distance) P-C4' energy: -14.053
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -27.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -238.817578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.817578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.817578 (E_RNA)
where:
Base-Base interactions energy: -152.986
where: short stacking energy: -68.695
Base-Backbone interact. energy: -0.198
local terms energy: -85.633499
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -19.497
flat angles C4'-P-C4' energy: -18.805
flat angles P-C4'-P energy: -7.968
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: 3, replica: 3
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -197.096838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.096838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.096838 (E_RNA)
where:
Base-Base interactions energy: -114.476
where: short stacking energy: -53.201
Base-Backbone interact. energy: -0.536
local terms energy: -82.084767
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -19.894
flat angles P-C4'-P energy: -10.554
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: 4, replica: 10
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -224.515882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.515882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.515882 (E_RNA)
where:
Base-Base interactions energy: -143.035
where: short stacking energy: -66.670
Base-Backbone interact. energy: 0.401
local terms energy: -81.881529
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -18.559
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -18.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -194.290883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.290883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.290883 (E_RNA)
where:
Base-Base interactions energy: -116.170
where: short stacking energy: -48.773
Base-Backbone interact. energy: -0.007
local terms energy: -78.114413
where:
bonds (distance) C4'-P energy: -19.146
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -13.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -149.567549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.567549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.567549 (E_RNA)
where:
Base-Base interactions energy: -88.237
where: short stacking energy: -38.449
Base-Backbone interact. energy: -1.827
local terms energy: -59.503405
where:
bonds (distance) C4'-P energy: -15.180
bonds (distance) P-C4' energy: -9.833
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -9.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -105.987215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.987215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.987215 (E_RNA)
where:
Base-Base interactions energy: -47.798
where: short stacking energy: -34.303
Base-Backbone interact. energy: -0.136
local terms energy: -58.053581
where:
bonds (distance) C4'-P energy: -18.561
bonds (distance) P-C4' energy: -16.535
flat angles C4'-P-C4' energy: -15.970
flat angles P-C4'-P energy: -5.683
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: 8, replica: 8
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -96.318048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.318048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.318048 (E_RNA)
where:
Base-Base interactions energy: -49.001
where: short stacking energy: -19.428
Base-Backbone interact. energy: -0.088
local terms energy: -47.228869
where:
bonds (distance) C4'-P energy: -15.735
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -7.871
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: 2.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -85.688817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.688817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.688817 (E_RNA)
where:
Base-Base interactions energy: -36.861
where: short stacking energy: -28.545
Base-Backbone interact. energy: -0.025
local terms energy: -48.802742
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -12.891
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -6.514
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: 10, replica: 5
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -86.013878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.013878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.013878 (E_RNA)
where:
Base-Base interactions energy: -26.740
where: short stacking energy: -24.372
Base-Backbone interact. energy: -0.866
local terms energy: -58.407757
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -13.792
flat angles C4'-P-C4' energy: -11.997
flat angles P-C4'-P energy: -7.111
tors. eta vs tors. theta energy: -9.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -241.071477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.071477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.071477 (E_RNA)
where:
Base-Base interactions energy: -154.733
where: short stacking energy: -64.862
Base-Backbone interact. energy: -0.344
local terms energy: -85.993988
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -20.817
flat angles C4'-P-C4' energy: -17.416
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: -19.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -250.950981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.950981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.950981 (E_RNA)
where:
Base-Base interactions energy: -158.943
where: short stacking energy: -77.791
Base-Backbone interact. energy: -0.006
local terms energy: -92.001774
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -18.131
flat angles C4'-P-C4' energy: -18.468
flat angles P-C4'-P energy: -13.458
tors. eta vs tors. theta energy: -28.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -222.104137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.104137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.104137 (E_RNA)
where:
Base-Base interactions energy: -150.482
where: short stacking energy: -62.013
Base-Backbone interact. energy: -0.236
local terms energy: -71.385963
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -14.936
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: 3
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -203.014866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.014866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.014866 (E_RNA)
where:
Base-Base interactions energy: -122.489
where: short stacking energy: -59.263
Base-Backbone interact. energy: -0.336
local terms energy: -80.190626
where:
bonds (distance) C4'-P energy: -12.238
bonds (distance) P-C4' energy: -19.747
flat angles C4'-P-C4' energy: -16.919
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -19.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -183.621627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.621627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.621627 (E_RNA)
where:
Base-Base interactions energy: -115.087
where: short stacking energy: -58.626
Base-Backbone interact. energy: -0.067
local terms energy: -68.468319
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -17.934
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -15.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -165.513298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.513298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.513298 (E_RNA)
where:
Base-Base interactions energy: -90.112
where: short stacking energy: -42.344
Base-Backbone interact. energy: -0.196
local terms energy: -75.205100
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -18.427
flat angles P-C4'-P energy: -14.748
tors. eta vs tors. theta energy: -10.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -96.225419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.225419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.225419 (E_RNA)
where:
Base-Base interactions energy: -28.867
where: short stacking energy: -28.867
Base-Backbone interact. energy: -0.340
local terms energy: -67.017917
where:
bonds (distance) C4'-P energy: -14.469
bonds (distance) P-C4' energy: -19.067
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -7.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -89.689979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.689979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.689979 (E_RNA)
where:
Base-Base interactions energy: -33.828
where: short stacking energy: -23.840
Base-Backbone interact. energy: -1.255
local terms energy: -54.606335
where:
bonds (distance) C4'-P energy: -13.098
bonds (distance) P-C4' energy: -18.389
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -7.499
tors. eta vs tors. theta energy: -1.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -83.630158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.630158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.630158 (E_RNA)
where:
Base-Base interactions energy: -31.495
where: short stacking energy: -31.495
Base-Backbone interact. energy: -0.150
local terms energy: -51.985024
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -4.739
tors. eta vs tors. theta energy: -4.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -84.842444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.842444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.842444 (E_RNA)
where:
Base-Base interactions energy: -31.766
where: short stacking energy: -31.100
Base-Backbone interact. energy: -0.703
local terms energy: -52.372646
where:
bonds (distance) C4'-P energy: -11.389
bonds (distance) P-C4' energy: -11.862
flat angles C4'-P-C4' energy: -16.059
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -3.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -241.464405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.464405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.464405 (E_RNA)
where:
Base-Base interactions energy: -164.019
where: short stacking energy: -70.333
Base-Backbone interact. energy: 0.236
local terms energy: -77.681081
where:
bonds (distance) C4'-P energy: -17.495
bonds (distance) P-C4' energy: -13.389
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -12.853
tors. eta vs tors. theta energy: -18.256
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: 6
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -268.465484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.465484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.465484 (E_RNA)
where:
Base-Base interactions energy: -180.339
where: short stacking energy: -77.300
Base-Backbone interact. energy: -0.984
local terms energy: -87.142427
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -18.332
flat angles C4'-P-C4' energy: -18.845
flat angles P-C4'-P energy: -13.661
tors. eta vs tors. theta energy: -20.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -230.332755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.332755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.332755 (E_RNA)
where:
Base-Base interactions energy: -154.449
where: short stacking energy: -60.612
Base-Backbone interact. energy: -0.214
local terms energy: -75.669263
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -18.297
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -11.218
tors. eta vs tors. theta energy: -16.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -201.101398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.101398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.101398 (E_RNA)
where:
Base-Base interactions energy: -126.350
where: short stacking energy: -52.800
Base-Backbone interact. energy: 0.327
local terms energy: -75.078834
where:
bonds (distance) C4'-P energy: -17.368
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -13.434
tors. eta vs tors. theta energy: -11.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -188.335556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.335556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.335556 (E_RNA)
where:
Base-Base interactions energy: -102.314
where: short stacking energy: -57.698
Base-Backbone interact. energy: -0.775
local terms energy: -85.246982
where:
bonds (distance) C4'-P energy: -20.462
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -18.778
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: 4
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -168.692140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.692140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.692140 (E_RNA)
where:
Base-Base interactions energy: -99.052
where: short stacking energy: -46.690
Base-Backbone interact. energy: -1.666
local terms energy: -67.974151
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -11.006
flat angles C4'-P-C4' energy: -18.010
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -15.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -102.173503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.173503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.173503 (E_RNA)
where:
Base-Base interactions energy: -43.829
where: short stacking energy: -37.296
Base-Backbone interact. energy: 0.549
local terms energy: -58.893754
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -12.392
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -8.189
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: 2
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -92.602916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.602916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.602916 (E_RNA)
where:
Base-Base interactions energy: -32.291
where: short stacking energy: -32.291
Base-Backbone interact. energy: -0.088
local terms energy: -60.224648
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: -1.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -86.477850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.477850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.477850 (E_RNA)
where:
Base-Base interactions energy: -37.862
where: short stacking energy: -31.927
Base-Backbone interact. energy: -0.051
local terms energy: -48.564484
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -16.095
flat angles C4'-P-C4' energy: -10.735
flat angles P-C4'-P energy: -4.635
tors. eta vs tors. theta energy: -2.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -84.040729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.040729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.040729 (E_RNA)
where:
Base-Base interactions energy: -34.027
where: short stacking energy: -30.488
Base-Backbone interact. energy: -0.145
local terms energy: -49.868322
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -16.127
flat angles C4'-P-C4' energy: -11.907
flat angles P-C4'-P energy: -4.741
tors. eta vs tors. theta energy: -4.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -264.188767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.188767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.188767 (E_RNA)
where:
Base-Base interactions energy: -175.459
where: short stacking energy: -78.644
Base-Backbone interact. energy: -0.811
local terms energy: -87.918651
where:
bonds (distance) C4'-P energy: -20.205
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -13.131
tors. eta vs tors. theta energy: -19.753
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: 2, replica: 1
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -234.851199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.851199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.851199 (E_RNA)
where:
Base-Base interactions energy: -150.006
where: short stacking energy: -70.490
Base-Backbone interact. energy: -0.274
local terms energy: -84.571457
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -19.289
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -19.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -191.765327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.765327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.765327 (E_RNA)
where:
Base-Base interactions energy: -117.740
where: short stacking energy: -59.077
Base-Backbone interact. energy: -0.483
local terms energy: -73.543064
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -16.658
flat angles C4'-P-C4' energy: -17.345
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -16.069
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: 10
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -221.894226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.894226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.894226 (E_RNA)
where:
Base-Base interactions energy: -145.564
where: short stacking energy: -69.293
Base-Backbone interact. energy: -0.378
local terms energy: -75.952578
where:
bonds (distance) C4'-P energy: -13.758
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -17.120
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -15.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -187.959853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.959853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.959853 (E_RNA)
where:
Base-Base interactions energy: -113.530
where: short stacking energy: -56.862
Base-Backbone interact. energy: 0.684
local terms energy: -75.113840
where:
bonds (distance) C4'-P energy: -18.686
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -14.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -176.178464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.178464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.178464 (E_RNA)
where:
Base-Base interactions energy: -101.974
where: short stacking energy: -50.139
Base-Backbone interact. energy: -0.012
local terms energy: -74.193053
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -19.274
flat angles C4'-P-C4' energy: -17.288
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -10.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -95.693082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.693082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.693082 (E_RNA)
where:
Base-Base interactions energy: -35.979
where: short stacking energy: -35.510
Base-Backbone interact. energy: -0.259
local terms energy: -59.455116
where:
bonds (distance) C4'-P energy: -12.220
bonds (distance) P-C4' energy: -12.006
flat angles C4'-P-C4' energy: -16.784
flat angles P-C4'-P energy: -13.417
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: 8, replica: 8
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -101.262342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.262342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.262342 (E_RNA)
where:
Base-Base interactions energy: -40.983
where: short stacking energy: -40.983
Base-Backbone interact. energy: -0.098
local terms energy: -60.181606
where:
bonds (distance) C4'-P energy: -10.303
bonds (distance) P-C4' energy: -19.552
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: -8.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -90.843906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.843906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.843906 (E_RNA)
where:
Base-Base interactions energy: -34.219
where: short stacking energy: -27.441
Base-Backbone interact. energy: -0.087
local terms energy: -56.537630
where:
bonds (distance) C4'-P energy: -12.771
bonds (distance) P-C4' energy: -17.257
flat angles C4'-P-C4' energy: -8.901
flat angles P-C4'-P energy: -12.098
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: 10, replica: 5
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -85.476026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.476026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.476026 (E_RNA)
where:
Base-Base interactions energy: -34.835
where: short stacking energy: -24.091
Base-Backbone interact. energy: -0.666
local terms energy: -49.974764
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -10.689
flat angles P-C4'-P energy: -8.475
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: 1, replica: 6
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -260.774012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.774012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.774012 (E_RNA)
where:
Base-Base interactions energy: -173.171
where: short stacking energy: -73.998
Base-Backbone interact. energy: -0.029
local terms energy: -87.574160
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -19.588
flat angles C4'-P-C4' energy: -17.265
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -20.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -247.743710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.743710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.743710 (E_RNA)
where:
Base-Base interactions energy: -165.236
where: short stacking energy: -68.843
Base-Backbone interact. energy: -0.245
local terms energy: -82.262382
where:
bonds (distance) C4'-P energy: -17.099
bonds (distance) P-C4' energy: -13.496
flat angles C4'-P-C4' energy: -18.080
flat angles P-C4'-P energy: -12.442
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: 3, replica: 3
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -191.225920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.225920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.225920 (E_RNA)
where:
Base-Base interactions energy: -114.115
where: short stacking energy: -54.398
Base-Backbone interact. energy: -1.173
local terms energy: -75.937902
where:
bonds (distance) C4'-P energy: -17.154
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -17.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -195.687636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.687636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.687636 (E_RNA)
where:
Base-Base interactions energy: -117.414
where: short stacking energy: -57.108
Base-Backbone interact. energy: -0.025
local terms energy: -78.249152
where:
bonds (distance) C4'-P energy: -17.985
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -16.442
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: -16.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -217.015238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.015238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.015238 (E_RNA)
where:
Base-Base interactions energy: -144.983
where: short stacking energy: -62.888
Base-Backbone interact. energy: -0.450
local terms energy: -71.581275
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -11.697
flat angles C4'-P-C4' energy: -19.603
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -15.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -184.208309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.208309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.208309 (E_RNA)
where:
Base-Base interactions energy: -111.038
where: short stacking energy: -55.757
Base-Backbone interact. energy: -0.680
local terms energy: -72.490502
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -7.984
tors. eta vs tors. theta energy: -12.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -92.753294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.753294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.753294 (E_RNA)
where:
Base-Base interactions energy: -33.564
where: short stacking energy: -20.169
Base-Backbone interact. energy: -0.355
local terms energy: -58.834004
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -17.483
flat angles C4'-P-C4' energy: -14.132
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: 2.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -105.737369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.737369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.737369 (E_RNA)
where:
Base-Base interactions energy: -40.185
where: short stacking energy: -35.985
Base-Backbone interact. energy: -0.216
local terms energy: -65.336042
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -17.390
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -14.540
tors. eta vs tors. theta energy: -4.143
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: 9, replica: 8
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -92.522460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.522460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.522460 (E_RNA)
where:
Base-Base interactions energy: -28.313
where: short stacking energy: -28.313
Base-Backbone interact. energy: -0.175
local terms energy: -64.033834
where:
bonds (distance) C4'-P energy: -16.606
bonds (distance) P-C4' energy: -19.263
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -8.093
tors. eta vs tors. theta energy: -6.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -86.344972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.344972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.344972 (E_RNA)
where:
Base-Base interactions energy: -51.882
where: short stacking energy: -20.203
Base-Backbone interact. energy: -0.112
local terms energy: -34.351483
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -7.350
flat angles C4'-P-C4' energy: -9.636
flat angles P-C4'-P energy: -7.475
tors. eta vs tors. theta energy: 6.414
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: 1, replica: 6
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -267.914549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.914549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.914549 (E_RNA)
where:
Base-Base interactions energy: -178.007
where: short stacking energy: -75.322
Base-Backbone interact. energy: -0.340
local terms energy: -89.568134
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -17.825
flat angles C4'-P-C4' energy: -19.278
flat angles P-C4'-P energy: -14.655
tors. eta vs tors. theta energy: -20.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -239.174928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.174928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.174928 (E_RNA)
where:
Base-Base interactions energy: -157.624
where: short stacking energy: -73.736
Base-Backbone interact. energy: -0.184
local terms energy: -81.367289
where:
bonds (distance) C4'-P energy: -13.943
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -19.437
flat angles P-C4'-P energy: -12.223
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: 3, replica: 9
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -191.513394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.513394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.513394 (E_RNA)
where:
Base-Base interactions energy: -116.525
where: short stacking energy: -53.764
Base-Backbone interact. energy: -0.536
local terms energy: -74.452481
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -17.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -196.672402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.672402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.672402 (E_RNA)
where:
Base-Base interactions energy: -118.717
where: short stacking energy: -59.838
Base-Backbone interact. energy: -0.550
local terms energy: -77.405040
where:
bonds (distance) C4'-P energy: -18.600
bonds (distance) P-C4' energy: -13.300
flat angles C4'-P-C4' energy: -16.947
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -17.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -231.367171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.367171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.367171 (E_RNA)
where:
Base-Base interactions energy: -151.225
where: short stacking energy: -68.649
Base-Backbone interact. energy: -0.224
local terms energy: -79.917950
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -20.419
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: -18.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -187.622075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.622075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.622075 (E_RNA)
where:
Base-Base interactions energy: -114.458
where: short stacking energy: -51.801
Base-Backbone interact. energy: -0.403
local terms energy: -72.761300
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -12.690
tors. eta vs tors. theta energy: -15.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -112.872048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.872048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.872048 (E_RNA)
where:
Base-Base interactions energy: -46.898
where: short stacking energy: -32.984
Base-Backbone interact. energy: -0.396
local terms energy: -65.577941
where:
bonds (distance) C4'-P energy: -18.943
bonds (distance) P-C4' energy: -19.266
flat angles C4'-P-C4' energy: -7.043
flat angles P-C4'-P energy: -9.365
tors. eta vs tors. theta energy: -10.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -89.910471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.910471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.910471 (E_RNA)
where:
Base-Base interactions energy: -37.282
where: short stacking energy: -17.673
Base-Backbone interact. energy: -0.625
local terms energy: -52.003075
where:
bonds (distance) C4'-P energy: -15.859
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -10.422
flat angles P-C4'-P energy: -13.004
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: 9, replica: 8
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -90.245433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.245433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.245433 (E_RNA)
where:
Base-Base interactions energy: -36.516
where: short stacking energy: -36.446
Base-Backbone interact. energy: -0.191
local terms energy: -53.538936
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -6.594
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -5.751
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: 5
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -85.450528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.450528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.450528 (E_RNA)
where:
Base-Base interactions energy: -27.602
where: short stacking energy: -26.594
Base-Backbone interact. energy: -0.279
local terms energy: -57.569819
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -19.528
flat angles C4'-P-C4' energy: -11.712
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -1.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -258.667510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.667510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.667510 (E_RNA)
where:
Base-Base interactions energy: -171.465
where: short stacking energy: -69.575
Base-Backbone interact. energy: 0.164
local terms energy: -87.366730
where:
bonds (distance) C4'-P energy: -17.853
bonds (distance) P-C4' energy: -16.673
flat angles C4'-P-C4' energy: -17.972
flat angles P-C4'-P energy: -13.728
tors. eta vs tors. theta energy: -21.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -244.069990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.069990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.069990 (E_RNA)
where:
Base-Base interactions energy: -157.932
where: short stacking energy: -72.369
Base-Backbone interact. energy: 0.359
local terms energy: -86.496281
where:
bonds (distance) C4'-P energy: -18.331
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -18.400
flat angles P-C4'-P energy: -12.943
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: 3, replica: 9
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -212.206619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.206619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.206619 (E_RNA)
where:
Base-Base interactions energy: -126.944
where: short stacking energy: -69.910
Base-Backbone interact. energy: -0.185
local terms energy: -85.077930
where:
bonds (distance) C4'-P energy: -19.519
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -21.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -220.885705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.885705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.885705 (E_RNA)
where:
Base-Base interactions energy: -148.634
where: short stacking energy: -66.433
Base-Backbone interact. energy: -0.018
local terms energy: -72.233245
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -12.521
flat angles C4'-P-C4' energy: -19.430
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: -15.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -189.158509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.158509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.158509 (E_RNA)
where:
Base-Base interactions energy: -119.070
where: short stacking energy: -55.573
Base-Backbone interact. energy: -0.133
local terms energy: -69.955139
where:
bonds (distance) C4'-P energy: -9.544
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -15.631
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -21.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -141.457613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.457613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.457613 (E_RNA)
where:
Base-Base interactions energy: -78.318
where: short stacking energy: -36.667
Base-Backbone interact. energy: -0.606
local terms energy: -62.533516
where:
bonds (distance) C4'-P energy: -11.591
bonds (distance) P-C4' energy: -19.221
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: -6.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -109.371510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.371510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.371510 (E_RNA)
where:
Base-Base interactions energy: -56.789
where: short stacking energy: -50.521
Base-Backbone interact. energy: -0.187
local terms energy: -52.395859
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -12.583
flat angles C4'-P-C4' energy: -16.909
flat angles P-C4'-P energy: -2.856
tors. eta vs tors. theta energy: -7.159
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: 8, replica: 8
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -89.784802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.784802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.784802 (E_RNA)
where:
Base-Base interactions energy: -29.311
where: short stacking energy: -29.311
Base-Backbone interact. energy: -0.132
local terms energy: -60.341944
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -10.218
flat angles P-C4'-P energy: -9.749
tors. eta vs tors. theta energy: -10.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -76.865325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.865325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.865325 (E_RNA)
where:
Base-Base interactions energy: -24.858
where: short stacking energy: -24.298
Base-Backbone interact. energy: 1.956
local terms energy: -53.963503
where:
bonds (distance) C4'-P energy: -17.812
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -10.777
flat angles P-C4'-P energy: -7.161
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: 10, replica: 5
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -87.067671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.067671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.067671 (E_RNA)
where:
Base-Base interactions energy: -33.880
where: short stacking energy: -30.472
Base-Backbone interact. energy: 0.109
local terms energy: -53.297089
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -9.070
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -4.833
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: 6
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -258.381603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.381603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.381603 (E_RNA)
where:
Base-Base interactions energy: -171.512
where: short stacking energy: -84.678
Base-Backbone interact. energy: -0.654
local terms energy: -86.215164
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -18.142
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -15.576
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: 2, replica: 1
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -232.999616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.999616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.999616 (E_RNA)
where:
Base-Base interactions energy: -148.163
where: short stacking energy: -66.822
Base-Backbone interact. energy: 0.323
local terms energy: -85.160523
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -18.123
flat angles P-C4'-P energy: -15.131
tors. eta vs tors. theta energy: -19.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -230.524123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.524123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.524123 (E_RNA)
where:
Base-Base interactions energy: -156.693
where: short stacking energy: -58.409
Base-Backbone interact. energy: -0.144
local terms energy: -73.687174
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -16.690
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -13.666
tors. eta vs tors. theta energy: -14.381
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: 4, replica: 9
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -203.853919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.853919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.853919 (E_RNA)
where:
Base-Base interactions energy: -134.187
where: short stacking energy: -58.966
Base-Backbone interact. energy: -0.016
local terms energy: -69.651451
where:
bonds (distance) C4'-P energy: -16.835
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -13.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -179.137794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.137794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.137794 (E_RNA)
where:
Base-Base interactions energy: -110.361
where: short stacking energy: -50.657
Base-Backbone interact. energy: -0.141
local terms energy: -68.636005
where:
bonds (distance) C4'-P energy: -16.265
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -17.554
flat angles P-C4'-P energy: -11.482
tors. eta vs tors. theta energy: -9.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -181.468830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.468830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.468830 (E_RNA)
where:
Base-Base interactions energy: -110.557
where: short stacking energy: -57.981
Base-Backbone interact. energy: -0.009
local terms energy: -70.902594
where:
bonds (distance) C4'-P energy: -16.273
bonds (distance) P-C4' energy: -12.509
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -17.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -122.474667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.474667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.474667 (E_RNA)
where:
Base-Base interactions energy: -55.878
where: short stacking energy: -45.885
Base-Backbone interact. energy: -0.411
local terms energy: -66.186089
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -15.940
flat angles C4'-P-C4' energy: -17.433
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -7.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -91.357669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.357669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.357669 (E_RNA)
where:
Base-Base interactions energy: -28.514
where: short stacking energy: -28.514
Base-Backbone interact. energy: -0.082
local terms energy: -62.761575
where:
bonds (distance) C4'-P energy: -19.096
bonds (distance) P-C4' energy: -17.558
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -8.100
tors. eta vs tors. theta energy: -4.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -90.129639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.129639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.129639 (E_RNA)
where:
Base-Base interactions energy: -42.376
where: short stacking energy: -21.503
Base-Backbone interact. energy: -0.271
local terms energy: -47.482355
where:
bonds (distance) C4'-P energy: -10.352
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -7.250
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: 7
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -81.377115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.377115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.377115 (E_RNA)
where:
Base-Base interactions energy: -26.868
where: short stacking energy: -22.383
Base-Backbone interact. energy: 1.113
local terms energy: -55.622227
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -12.433
flat angles P-C4'-P energy: -7.529
tors. eta vs tors. theta energy: -4.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -257.725747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.725747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.725747 (E_RNA)
where:
Base-Base interactions energy: -167.077
where: short stacking energy: -84.188
Base-Backbone interact. energy: 0.086
local terms energy: -90.734255
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -15.527
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -15.047
tors. eta vs tors. theta energy: -28.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -230.541640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.541640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.541640 (E_RNA)
where:
Base-Base interactions energy: -145.683
where: short stacking energy: -59.232
Base-Backbone interact. energy: -0.245
local terms energy: -84.613830
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -20.631
flat angles P-C4'-P energy: -16.174
tors. eta vs tors. theta energy: -15.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -229.745196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.745196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.745196 (E_RNA)
where:
Base-Base interactions energy: -156.687
where: short stacking energy: -61.302
Base-Backbone interact. energy: 0.228
local terms energy: -73.285685
where:
bonds (distance) C4'-P energy: -15.938
bonds (distance) P-C4' energy: -17.958
flat angles C4'-P-C4' energy: -19.152
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -10.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -206.134570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.134570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.134570 (E_RNA)
where:
Base-Base interactions energy: -123.685
where: short stacking energy: -72.058
Base-Backbone interact. energy: 0.474
local terms energy: -82.923449
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -19.038
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -11.203
tors. eta vs tors. theta energy: -23.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -188.876691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.876691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.876691 (E_RNA)
where:
Base-Base interactions energy: -110.697
where: short stacking energy: -53.976
Base-Backbone interact. energy: 0.215
local terms energy: -78.394600
where:
bonds (distance) C4'-P energy: -18.244
bonds (distance) P-C4' energy: -19.457
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -9.119
tors. eta vs tors. theta energy: -16.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -191.550506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.550506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.550506 (E_RNA)
where:
Base-Base interactions energy: -115.418
where: short stacking energy: -58.955
Base-Backbone interact. energy: -0.115
local terms energy: -76.017437
where:
bonds (distance) C4'-P energy: -18.225
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -20.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -97.009585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.009585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.009585 (E_RNA)
where:
Base-Base interactions energy: -44.545
where: short stacking energy: -20.354
Base-Backbone interact. energy: -0.313
local terms energy: -52.152062
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -17.317
flat angles C4'-P-C4' energy: -12.604
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: -1.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -94.384172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.384172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.384172 (E_RNA)
where:
Base-Base interactions energy: -32.557
where: short stacking energy: -25.819
Base-Backbone interact. energy: -0.397
local terms energy: -61.429831
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -6.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -86.386670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.386670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.386670 (E_RNA)
where:
Base-Base interactions energy: -27.280
where: short stacking energy: -26.106
Base-Backbone interact. energy: -0.043
local terms energy: -59.063768
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -11.469
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: 159
Temperature: 1.350000
Total energy: -99.077388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.077388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.077388 (E_RNA)
where:
Base-Base interactions energy: -50.971
where: short stacking energy: -30.579
Base-Backbone interact. energy: -2.926
local terms energy: -45.180038
where:
bonds (distance) C4'-P energy: -11.674
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -6.318
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -7.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -262.034811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.034811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.034811 (E_RNA)
where:
Base-Base interactions energy: -175.952
where: short stacking energy: -77.187
Base-Backbone interact. energy: -0.206
local terms energy: -85.876528
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -20.261
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -20.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -233.570132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.570132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.570132 (E_RNA)
where:
Base-Base interactions energy: -154.595
where: short stacking energy: -65.466
Base-Backbone interact. energy: -0.257
local terms energy: -78.718187
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -18.884
flat angles P-C4'-P energy: -13.848
tors. eta vs tors. theta energy: -16.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -217.574518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.574518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.574518 (E_RNA)
where:
Base-Base interactions energy: -132.407
where: short stacking energy: -72.715
Base-Backbone interact. energy: -0.076
local terms energy: -85.092381
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -20.426
flat angles C4'-P-C4' energy: -16.893
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -22.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -231.216382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.216382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.216382 (E_RNA)
where:
Base-Base interactions energy: -158.781
where: short stacking energy: -64.023
Base-Backbone interact. energy: 0.060
local terms energy: -72.495432
where:
bonds (distance) C4'-P energy: -19.067
bonds (distance) P-C4' energy: -14.058
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -13.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -207.210583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.210583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.210583 (E_RNA)
where:
Base-Base interactions energy: -120.338
where: short stacking energy: -64.937
Base-Backbone interact. energy: -0.045
local terms energy: -86.828325
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -15.530
tors. eta vs tors. theta energy: -22.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -175.004442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.004442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.004442 (E_RNA)
where:
Base-Base interactions energy: -104.974
where: short stacking energy: -52.068
Base-Backbone interact. energy: -0.071
local terms energy: -69.959931
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -16.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -107.842405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.842405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.842405 (E_RNA)
where:
Base-Base interactions energy: -49.852
where: short stacking energy: -38.010
Base-Backbone interact. energy: -0.002
local terms energy: -57.988090
where:
bonds (distance) C4'-P energy: -9.370
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -13.931
tors. eta vs tors. theta energy: -7.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -104.600847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.600847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.600847 (E_RNA)
where:
Base-Base interactions energy: -44.010
where: short stacking energy: -40.489
Base-Backbone interact. energy: 0.861
local terms energy: -61.452334
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -6.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -87.652074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.652074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.652074 (E_RNA)
where:
Base-Base interactions energy: -34.117
where: short stacking energy: -32.164
Base-Backbone interact. energy: -0.422
local terms energy: -53.112571
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -13.006
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -4.029
tors. eta vs tors. theta energy: -4.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -81.841789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.841789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.841789 (E_RNA)
where:
Base-Base interactions energy: -27.025
where: short stacking energy: -25.638
Base-Backbone interact. energy: -0.072
local terms energy: -54.744391
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -0.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -263.001005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.001005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.001005 (E_RNA)
where:
Base-Base interactions energy: -171.215
where: short stacking energy: -78.492
Base-Backbone interact. energy: -0.024
local terms energy: -91.762242
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -18.201
flat angles C4'-P-C4' energy: -19.272
flat angles P-C4'-P energy: -14.666
tors. eta vs tors. theta energy: -22.572
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: 161
Temperature: 0.950000
Total energy: -236.536433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.536433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.536433 (E_RNA)
where:
Base-Base interactions energy: -154.201
where: short stacking energy: -69.409
Base-Backbone interact. energy: -0.173
local terms energy: -82.162813
where:
bonds (distance) C4'-P energy: -18.073
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -17.892
flat angles P-C4'-P energy: -14.275
tors. eta vs tors. theta energy: -18.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -218.257877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.257877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.257877 (E_RNA)
where:
Base-Base interactions energy: -135.282
where: short stacking energy: -67.390
Base-Backbone interact. energy: -2.203
local terms energy: -80.772422
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -19.940
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -17.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -199.536551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.536551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.536551 (E_RNA)
where:
Base-Base interactions energy: -117.311
where: short stacking energy: -55.838
Base-Backbone interact. energy: -0.093
local terms energy: -82.132081
where:
bonds (distance) C4'-P energy: -17.335
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -21.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -219.602278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.602278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.602278 (E_RNA)
where:
Base-Base interactions energy: -133.949
where: short stacking energy: -63.809
Base-Backbone interact. energy: -0.596
local terms energy: -85.057054
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -19.109
flat angles P-C4'-P energy: -14.145
tors. eta vs tors. theta energy: -20.457
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: 5
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -112.481261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.481261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.481261 (E_RNA)
where:
Base-Base interactions energy: -42.816
where: short stacking energy: -34.826
Base-Backbone interact. energy: -0.096
local terms energy: -69.568739
where:
bonds (distance) C4'-P energy: -17.936
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -17.359
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: -6.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -146.427563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.427563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.427563 (E_RNA)
where:
Base-Base interactions energy: -92.893
where: short stacking energy: -37.592
Base-Backbone interact. energy: -0.822
local terms energy: -52.712413
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -8.673
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -6.499
tors. eta vs tors. theta energy: -7.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -92.342514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.342514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.342514 (E_RNA)
where:
Base-Base interactions energy: -33.115
where: short stacking energy: -28.901
Base-Backbone interact. energy: -1.403
local terms energy: -57.824338
where:
bonds (distance) C4'-P energy: -16.465
bonds (distance) P-C4' energy: -17.735
flat angles C4'-P-C4' energy: -11.491
flat angles P-C4'-P energy: -8.620
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: 9, replica: 2
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -78.652544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.652544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.652544 (E_RNA)
where:
Base-Base interactions energy: -27.331
where: short stacking energy: -16.890
Base-Backbone interact. energy: 0.080
local terms energy: -51.400725
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: 4.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -83.344012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.344012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.344012 (E_RNA)
where:
Base-Base interactions energy: -30.612
where: short stacking energy: -20.376
Base-Backbone interact. energy: -0.144
local terms energy: -52.587235
where:
bonds (distance) C4'-P energy: -9.356
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -7.601
tors. eta vs tors. theta energy: -2.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -240.755545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.755545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.755545 (E_RNA)
where:
Base-Base interactions energy: -154.594
where: short stacking energy: -68.272
Base-Backbone interact. energy: -0.260
local terms energy: -85.901119
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -18.346
flat angles C4'-P-C4' energy: -18.060
flat angles P-C4'-P energy: -14.879
tors. eta vs tors. theta energy: -18.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -255.675994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.675994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.675994 (E_RNA)
where:
Base-Base interactions energy: -165.363
where: short stacking energy: -80.713
Base-Backbone interact. energy: -0.631
local terms energy: -89.682614
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -18.311
flat angles C4'-P-C4' energy: -17.521
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: -24.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -205.153830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.153830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.153830 (E_RNA)
where:
Base-Base interactions energy: -123.286
where: short stacking energy: -61.465
Base-Backbone interact. energy: -0.247
local terms energy: -81.620461
where:
bonds (distance) C4'-P energy: -17.075
bonds (distance) P-C4' energy: -16.591
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -13.706
tors. eta vs tors. theta energy: -19.624
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: 162
Temperature: 1.050000
Total energy: -197.231991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.231991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.231991 (E_RNA)
where:
Base-Base interactions energy: -119.604
where: short stacking energy: -56.650
Base-Backbone interact. energy: -0.312
local terms energy: -77.315949
where:
bonds (distance) C4'-P energy: -18.503
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -16.661
flat angles P-C4'-P energy: -12.027
tors. eta vs tors. theta energy: -15.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -228.540287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.540287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.540287 (E_RNA)
where:
Base-Base interactions energy: -147.179
where: short stacking energy: -59.102
Base-Backbone interact. energy: -0.403
local terms energy: -80.958287
where:
bonds (distance) C4'-P energy: -15.584
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -20.197
flat angles P-C4'-P energy: -12.336
tors. eta vs tors. theta energy: -16.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -105.454160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.454160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.454160 (E_RNA)
where:
Base-Base interactions energy: -49.705
where: short stacking energy: -31.170
Base-Backbone interact. energy: 0.033
local terms energy: -55.782533
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -10.581
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -10.780
tors. eta vs tors. theta energy: -2.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -121.085263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.085263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.085263 (E_RNA)
where:
Base-Base interactions energy: -60.097
where: short stacking energy: -42.963
Base-Backbone interact. energy: -0.596
local terms energy: -60.392685
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -7.088
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: 8
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -97.678055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.678055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.678055 (E_RNA)
where:
Base-Base interactions energy: -39.590
where: short stacking energy: -36.464
Base-Backbone interact. energy: -0.078
local terms energy: -58.010232
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -18.089
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -5.173
tors. eta vs tors. theta energy: -5.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -87.657505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.657505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.657505 (E_RNA)
where:
Base-Base interactions energy: -27.185
where: short stacking energy: -17.630
Base-Backbone interact. energy: -0.652
local terms energy: -59.820935
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -19.620
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -7.277
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: 10, replica: 7
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -87.103539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.103539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.103539 (E_RNA)
where:
Base-Base interactions energy: -44.173
where: short stacking energy: -40.121
Base-Backbone interact. energy: -0.832
local terms energy: -42.098186
where:
bonds (distance) C4'-P energy: -5.953
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -11.003
flat angles P-C4'-P energy: -4.341
tors. eta vs tors. theta energy: -6.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -247.972754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.972754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.972754 (E_RNA)
where:
Base-Base interactions energy: -168.597
where: short stacking energy: -82.876
Base-Backbone interact. energy: -0.141
local terms energy: -79.235092
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -17.603
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: -21.524
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: 2, replica: 6
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -261.562236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.562236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.562236 (E_RNA)
where:
Base-Base interactions energy: -173.571
where: short stacking energy: -76.372
Base-Backbone interact. energy: -2.387
local terms energy: -85.604424
where:
bonds (distance) C4'-P energy: -16.926
bonds (distance) P-C4' energy: -20.345
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -12.281
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: 3, replica: 3
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -191.220474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.220474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.220474 (E_RNA)
where:
Base-Base interactions energy: -118.858
where: short stacking energy: -58.327
Base-Backbone interact. energy: -0.235
local terms energy: -72.127244
where:
bonds (distance) C4'-P energy: -17.440
bonds (distance) P-C4' energy: -14.002
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -13.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -232.164626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.164626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.164626 (E_RNA)
where:
Base-Base interactions energy: -148.864
where: short stacking energy: -63.356
Base-Backbone interact. energy: -0.220
local terms energy: -83.080831
where:
bonds (distance) C4'-P energy: -18.318
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -13.507
flat angles P-C4'-P energy: -16.470
tors. eta vs tors. theta energy: -16.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -189.042166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.042166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.042166 (E_RNA)
where:
Base-Base interactions energy: -117.100
where: short stacking energy: -55.778
Base-Backbone interact. energy: 0.356
local terms energy: -72.298652
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -16.387
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -14.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -92.062270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.062270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.062270 (E_RNA)
where:
Base-Base interactions energy: -39.427
where: short stacking energy: -21.580
Base-Backbone interact. energy: 0.798
local terms energy: -53.433208
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -12.204
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -2.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -95.078252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.078252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.078252 (E_RNA)
where:
Base-Base interactions energy: -38.915
where: short stacking energy: -33.107
Base-Backbone interact. energy: -1.571
local terms energy: -54.591561
where:
bonds (distance) C4'-P energy: -9.672
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -16.825
flat angles P-C4'-P energy: -6.491
tors. eta vs tors. theta energy: -4.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -101.766583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.766583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.766583 (E_RNA)
where:
Base-Base interactions energy: -30.950
where: short stacking energy: -30.950
Base-Backbone interact. energy: -0.221
local terms energy: -70.595310
where:
bonds (distance) C4'-P energy: -17.840
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -10.273
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: 163
Temperature: 1.300000
Total energy: -85.963402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.963402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.963402 (E_RNA)
where:
Base-Base interactions energy: -35.620
where: short stacking energy: -23.745
Base-Backbone interact. energy: -0.176
local terms energy: -50.167947
where:
bonds (distance) C4'-P energy: -11.077
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: 1.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -87.665855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.665855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.665855 (E_RNA)
where:
Base-Base interactions energy: -36.952
where: short stacking energy: -31.569
Base-Backbone interact. energy: -0.183
local terms energy: -50.531526
where:
bonds (distance) C4'-P energy: -9.020
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -6.641
flat angles P-C4'-P energy: -10.808
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: 1, replica: 6
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -277.076902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.076902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.076902 (E_RNA)
where:
Base-Base interactions energy: -188.788
where: short stacking energy: -76.278
Base-Backbone interact. energy: -0.441
local terms energy: -87.848663
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -18.249
flat angles P-C4'-P energy: -14.503
tors. eta vs tors. theta energy: -21.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -237.796366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.796366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.796366 (E_RNA)
where:
Base-Base interactions energy: -154.134
where: short stacking energy: -69.355
Base-Backbone interact. energy: -0.030
local terms energy: -83.632445
where:
bonds (distance) C4'-P energy: -18.810
bonds (distance) P-C4' energy: -17.600
flat angles C4'-P-C4' energy: -17.021
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -20.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -233.812356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.812356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.812356 (E_RNA)
where:
Base-Base interactions energy: -153.602
where: short stacking energy: -57.753
Base-Backbone interact. energy: -0.400
local terms energy: -79.810277
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -21.098
flat angles C4'-P-C4' energy: -18.203
flat angles P-C4'-P energy: -13.789
tors. eta vs tors. theta energy: -13.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -197.408557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.408557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.408557 (E_RNA)
where:
Base-Base interactions energy: -127.299
where: short stacking energy: -58.724
Base-Backbone interact. energy: -0.270
local terms energy: -69.840278
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -6.136
tors. eta vs tors. theta energy: -17.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -156.349219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.349219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.349219 (E_RNA)
where:
Base-Base interactions energy: -82.195
where: short stacking energy: -52.109
Base-Backbone interact. energy: -0.064
local terms energy: -74.090329
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -18.446
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -10.869
tors. eta vs tors. theta energy: -13.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -101.052231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.052231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.052231 (E_RNA)
where:
Base-Base interactions energy: -45.006
where: short stacking energy: -28.351
Base-Backbone interact. energy: -0.053
local terms energy: -55.993054
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -19.445
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -2.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -109.379153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.379153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.379153 (E_RNA)
where:
Base-Base interactions energy: -59.607
where: short stacking energy: -31.110
Base-Backbone interact. energy: -0.592
local terms energy: -49.179844
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -9.219
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -6.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -100.254845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.254845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.254845 (E_RNA)
where:
Base-Base interactions energy: -48.316
where: short stacking energy: -37.037
Base-Backbone interact. energy: 1.666
local terms energy: -53.605003
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -14.128
flat angles C4'-P-C4' energy: -8.608
flat angles P-C4'-P energy: -12.198
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: 7
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -85.624750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.624750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.624750 (E_RNA)
where:
Base-Base interactions energy: -22.481
where: short stacking energy: -17.862
Base-Backbone interact. energy: 1.576
local terms energy: -64.719921
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -17.707
flat angles C4'-P-C4' energy: -17.718
flat angles P-C4'-P energy: -14.430
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: 10, replica: 8
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -87.643846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.643846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.643846 (E_RNA)
where:
Base-Base interactions energy: -40.897
where: short stacking energy: -33.988
Base-Backbone interact. energy: -0.185
local terms energy: -46.561499
where:
bonds (distance) C4'-P energy: -9.614
bonds (distance) P-C4' energy: -14.500
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: 0.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -263.305340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.305340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.305340 (E_RNA)
where:
Base-Base interactions energy: -174.955
where: short stacking energy: -73.748
Base-Backbone interact. energy: -0.096
local terms energy: -88.253813
where:
bonds (distance) C4'-P energy: -16.197
bonds (distance) P-C4' energy: -18.966
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -14.118
tors. eta vs tors. theta energy: -21.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -223.946119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.946119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.946119 (E_RNA)
where:
Base-Base interactions energy: -146.184
where: short stacking energy: -59.102
Base-Backbone interact. energy: 0.268
local terms energy: -78.030176
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -15.861
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: -12.410
tors. eta vs tors. theta energy: -17.377
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: 3, replica: 10
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -229.997193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.997193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.997193 (E_RNA)
where:
Base-Base interactions energy: -154.407
where: short stacking energy: -70.336
Base-Backbone interact. energy: -0.145
local terms energy: -75.445634
where:
bonds (distance) C4'-P energy: -18.182
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -15.896
flat angles P-C4'-P energy: -6.415
tors. eta vs tors. theta energy: -20.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -171.625927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.625927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.625927 (E_RNA)
where:
Base-Base interactions energy: -102.128
where: short stacking energy: -52.926
Base-Backbone interact. energy: -0.031
local terms energy: -69.466852
where:
bonds (distance) C4'-P energy: -12.661
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -13.318
flat angles P-C4'-P energy: -14.105
tors. eta vs tors. theta energy: -14.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -187.942460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.942460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.942460 (E_RNA)
where:
Base-Base interactions energy: -114.413
where: short stacking energy: -53.009
Base-Backbone interact. energy: -0.574
local terms energy: -72.955279
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -16.790
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: 2
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -105.439042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.439042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.439042 (E_RNA)
where:
Base-Base interactions energy: -43.027
where: short stacking energy: -37.882
Base-Backbone interact. energy: 1.003
local terms energy: -63.415190
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -19.402
flat angles C4'-P-C4' energy: -11.202
flat angles P-C4'-P energy: -11.078
tors. eta vs tors. theta energy: -6.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -91.274480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.274480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.274480 (E_RNA)
where:
Base-Base interactions energy: -30.458
where: short stacking energy: -13.071
Base-Backbone interact. energy: -0.201
local terms energy: -60.615293
where:
bonds (distance) C4'-P energy: -18.265
bonds (distance) P-C4' energy: -18.278
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -10.668
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: 7
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -90.267163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.267163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.267163 (E_RNA)
where:
Base-Base interactions energy: -35.284
where: short stacking energy: -35.284
Base-Backbone interact. energy: -0.469
local terms energy: -54.514125
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -17.750
flat angles C4'-P-C4' energy: -12.444
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: -1.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -83.159731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.159731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.159731 (E_RNA)
where:
Base-Base interactions energy: -42.715
where: short stacking energy: -25.303
Base-Backbone interact. energy: -0.282
local terms energy: -40.162398
where:
bonds (distance) C4'-P energy: -7.293
bonds (distance) P-C4' energy: -12.161
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -7.116
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: 8
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -87.503810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.503810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.503810 (E_RNA)
where:
Base-Base interactions energy: -33.782
where: short stacking energy: -25.101
Base-Backbone interact. energy: -0.570
local terms energy: -53.151522
where:
bonds (distance) C4'-P energy: -19.050
bonds (distance) P-C4' energy: -6.523
flat angles C4'-P-C4' energy: -16.878
flat angles P-C4'-P energy: -11.106
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: 6
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -246.901289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.901289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.901289 (E_RNA)
where:
Base-Base interactions energy: -168.152
where: short stacking energy: -77.268
Base-Backbone interact. energy: -0.004
local terms energy: -78.745390
where:
bonds (distance) C4'-P energy: -16.779
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -13.424
flat angles P-C4'-P energy: -13.538
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: 2, replica: 1
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -229.657936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.657936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.657936 (E_RNA)
where:
Base-Base interactions energy: -151.111
where: short stacking energy: -61.408
Base-Backbone interact. energy: -0.106
local terms energy: -78.440769
where:
bonds (distance) C4'-P energy: -18.615
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -13.454
flat angles P-C4'-P energy: -11.855
tors. eta vs tors. theta energy: -18.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -227.052306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.052306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.052306 (E_RNA)
where:
Base-Base interactions energy: -148.364
where: short stacking energy: -55.327
Base-Backbone interact. energy: -0.315
local terms energy: -78.373026
where:
bonds (distance) C4'-P energy: -18.284
bonds (distance) P-C4' energy: -16.465
flat angles C4'-P-C4' energy: -17.174
flat angles P-C4'-P energy: -11.719
tors. eta vs tors. theta energy: -14.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -193.543770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.543770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.543770 (E_RNA)
where:
Base-Base interactions energy: -114.487
where: short stacking energy: -51.054
Base-Backbone interact. energy: -0.089
local terms energy: -78.967187
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -7.856
tors. eta vs tors. theta energy: -18.910
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: 5, replica: 3
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -204.455551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.455551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.455551 (E_RNA)
where:
Base-Base interactions energy: -123.919
where: short stacking energy: -63.462
Base-Backbone interact. energy: -0.509
local terms energy: -80.026916
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -15.447
flat angles C4'-P-C4' energy: -19.581
flat angles P-C4'-P energy: -6.755
tors. eta vs tors. theta energy: -24.481
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: 2
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -115.378520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.378520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.378520 (E_RNA)
where:
Base-Base interactions energy: -51.937
where: short stacking energy: -28.670
Base-Backbone interact. energy: -1.703
local terms energy: -61.738336
where:
bonds (distance) C4'-P energy: -17.824
bonds (distance) P-C4' energy: -10.837
flat angles C4'-P-C4' energy: -16.965
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -8.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -100.489594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.489594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.489594 (E_RNA)
where:
Base-Base interactions energy: -44.410
where: short stacking energy: -40.934
Base-Backbone interact. energy: -0.129
local terms energy: -55.951131
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -13.354
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -7.820
tors. eta vs tors. theta energy: -4.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -94.911744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.911744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.911744 (E_RNA)
where:
Base-Base interactions energy: -35.474
where: short stacking energy: -31.086
Base-Backbone interact. energy: -0.127
local terms energy: -59.310357
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -11.436
flat angles C4'-P-C4' energy: -19.093
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -3.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -86.046360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.046360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.046360 (E_RNA)
where:
Base-Base interactions energy: -38.179
where: short stacking energy: -23.595
Base-Backbone interact. energy: -0.482
local terms energy: -47.385793
where:
bonds (distance) C4'-P energy: -14.926
bonds (distance) P-C4' energy: -11.571
flat angles C4'-P-C4' energy: -10.462
flat angles P-C4'-P energy: -9.780
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: 10, replica: 5
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -78.047983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.047983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.047983 (E_RNA)
where:
Base-Base interactions energy: -27.914
where: short stacking energy: -17.998
Base-Backbone interact. energy: -1.269
local terms energy: -48.865122
where:
bonds (distance) C4'-P energy: -17.378
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -4.998
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: 6
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -249.322486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.322486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.322486 (E_RNA)
where:
Base-Base interactions energy: -164.090
where: short stacking energy: -81.263
Base-Backbone interact. energy: -0.003
local terms energy: -85.229581
where:
bonds (distance) C4'-P energy: -17.655
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -20.505
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: -21.918
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: 2, replica: 10
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -230.958373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.958373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.958373 (E_RNA)
where:
Base-Base interactions energy: -153.113
where: short stacking energy: -68.954
Base-Backbone interact. energy: -0.188
local terms energy: -77.657156
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -20.252
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -15.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -226.095645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.095645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.095645 (E_RNA)
where:
Base-Base interactions energy: -143.706
where: short stacking energy: -67.560
Base-Backbone interact. energy: -1.186
local terms energy: -81.202926
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -12.635
tors. eta vs tors. theta energy: -18.604
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: 3
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -200.373332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.373332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.373332 (E_RNA)
where:
Base-Base interactions energy: -125.068
where: short stacking energy: -63.463
Base-Backbone interact. energy: -0.035
local terms energy: -75.270805
where:
bonds (distance) C4'-P energy: -15.536
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -17.064
flat angles P-C4'-P energy: -5.347
tors. eta vs tors. theta energy: -19.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -188.746334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.746334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.746334 (E_RNA)
where:
Base-Base interactions energy: -118.785
where: short stacking energy: -54.402
Base-Backbone interact. energy: -0.209
local terms energy: -69.752220
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -17.478
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -14.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -164.823428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.823428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.823428 (E_RNA)
where:
Base-Base interactions energy: -90.497
where: short stacking energy: -51.540
Base-Backbone interact. energy: 0.054
local terms energy: -74.380981
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -14.397
flat angles C4'-P-C4' energy: -19.260
flat angles P-C4'-P energy: -12.667
tors. eta vs tors. theta energy: -12.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -99.604612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.604612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.604612 (E_RNA)
where:
Base-Base interactions energy: -42.684
where: short stacking energy: -33.376
Base-Backbone interact. energy: -0.318
local terms energy: -56.602211
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -7.969
tors. eta vs tors. theta energy: -3.670
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: 167
Temperature: 1.250000
Total energy: -93.801403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.801403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.801403 (E_RNA)
where:
Base-Base interactions energy: -43.428
where: short stacking energy: -32.294
Base-Backbone interact. energy: -0.586
local terms energy: -49.787817
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -1.980
tors. eta vs tors. theta energy: -5.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -87.869644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.869644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.869644 (E_RNA)
where:
Base-Base interactions energy: -22.368
where: short stacking energy: -21.299
Base-Backbone interact. energy: -1.928
local terms energy: -63.573651
where:
bonds (distance) C4'-P energy: -18.900
bonds (distance) P-C4' energy: -18.947
flat angles C4'-P-C4' energy: -12.213
flat angles P-C4'-P energy: -12.493
tors. eta vs tors. theta energy: -1.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -80.597662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.597662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.597662 (E_RNA)
where:
Base-Base interactions energy: -27.368
where: short stacking energy: -26.251
Base-Backbone interact. energy: -0.562
local terms energy: -52.667298
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -17.120
flat angles C4'-P-C4' energy: -11.810
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: -3.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -241.398710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.398710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.398710 (E_RNA)
where:
Base-Base interactions energy: -156.670
where: short stacking energy: -71.931
Base-Backbone interact. energy: 0.901
local terms energy: -85.630297
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -18.791
flat angles C4'-P-C4' energy: -20.295
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -19.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -247.733106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.733106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.733106 (E_RNA)
where:
Base-Base interactions energy: -156.225
where: short stacking energy: -81.750
Base-Backbone interact. energy: -0.002
local terms energy: -91.506507
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -18.068
flat angles C4'-P-C4' energy: -19.262
flat angles P-C4'-P energy: -14.568
tors. eta vs tors. theta energy: -23.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -206.525051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.525051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.525051 (E_RNA)
where:
Base-Base interactions energy: -131.532
where: short stacking energy: -56.595
Base-Backbone interact. energy: -0.379
local terms energy: -74.614113
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -18.295
flat angles C4'-P-C4' energy: -16.869
flat angles P-C4'-P energy: -7.464
tors. eta vs tors. theta energy: -17.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -218.642455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.642455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.642455 (E_RNA)
where:
Base-Base interactions energy: -145.895
where: short stacking energy: -55.282
Base-Backbone interact. energy: -0.354
local terms energy: -72.393017
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -15.930
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -14.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -163.858164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.858164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.858164 (E_RNA)
where:
Base-Base interactions energy: -101.143
where: short stacking energy: -43.561
Base-Backbone interact. energy: -0.979
local terms energy: -61.736073
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -18.907
flat angles P-C4'-P energy: -5.998
tors. eta vs tors. theta energy: -11.065
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: 2
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -166.827444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.827444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.827444 (E_RNA)
where:
Base-Base interactions energy: -100.281
where: short stacking energy: -43.420
Base-Backbone interact. energy: -0.181
local terms energy: -66.364680
where:
bonds (distance) C4'-P energy: -15.644
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -12.738
flat angles P-C4'-P energy: -12.592
tors. eta vs tors. theta energy: -9.450
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: 8
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -101.255974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.255974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.255974 (E_RNA)
where:
Base-Base interactions energy: -40.861
where: short stacking energy: -36.371
Base-Backbone interact. energy: -0.121
local terms energy: -60.273698
where:
bonds (distance) C4'-P energy: -16.902
bonds (distance) P-C4' energy: -17.536
flat angles C4'-P-C4' energy: -9.952
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: -6.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -96.272490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.272490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.272490 (E_RNA)
where:
Base-Base interactions energy: -40.760
where: short stacking energy: -26.169
Base-Backbone interact. energy: -0.250
local terms energy: -55.261884
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -16.719
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -3.436
tors. eta vs tors. theta energy: -7.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -90.997678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.997678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.997678 (E_RNA)
where:
Base-Base interactions energy: -39.347
where: short stacking energy: -26.985
Base-Backbone interact. energy: 0.735
local terms energy: -52.385556
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -15.527
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -7.464
tors. eta vs tors. theta energy: -2.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -88.499129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.499129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.499129 (E_RNA)
where:
Base-Base interactions energy: -38.131
where: short stacking energy: -22.046
Base-Backbone interact. energy: -0.413
local terms energy: -49.954835
where:
bonds (distance) C4'-P energy: -10.252
bonds (distance) P-C4' energy: -19.334
flat angles C4'-P-C4' energy: -8.568
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -1.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -228.565597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.565597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.565597 (E_RNA)
where:
Base-Base interactions energy: -146.690
where: short stacking energy: -64.101
Base-Backbone interact. energy: 1.721
local terms energy: -83.596446
where:
bonds (distance) C4'-P energy: -17.702
bonds (distance) P-C4' energy: -17.818
flat angles C4'-P-C4' energy: -19.775
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -17.296
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: 6
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -253.295586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.295586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.295586 (E_RNA)
where:
Base-Base interactions energy: -165.356
where: short stacking energy: -74.250
Base-Backbone interact. energy: -0.006
local terms energy: -87.933165
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -20.371
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -14.534
tors. eta vs tors. theta energy: -23.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -194.892453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.892453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.892453 (E_RNA)
where:
Base-Base interactions energy: -115.669
where: short stacking energy: -57.306
Base-Backbone interact. energy: -0.439
local terms energy: -78.784318
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -12.662
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: 4, replica: 1
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -227.414251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.414251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.414251 (E_RNA)
where:
Base-Base interactions energy: -150.614
where: short stacking energy: -66.236
Base-Backbone interact. energy: -0.125
local terms energy: -76.675339
where:
bonds (distance) C4'-P energy: -16.613
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -13.513
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -17.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -140.892254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.892254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.892254 (E_RNA)
where:
Base-Base interactions energy: -76.699
where: short stacking energy: -40.475
Base-Backbone interact. energy: -0.431
local terms energy: -63.762097
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -17.508
flat angles C4'-P-C4' energy: -16.384
flat angles P-C4'-P energy: -9.587
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: 6, replica: 2
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -166.183335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.183335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.183335 (E_RNA)
where:
Base-Base interactions energy: -96.395
where: short stacking energy: -47.802
Base-Backbone interact. energy: -0.557
local terms energy: -69.231250
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -17.507
flat angles C4'-P-C4' energy: -18.277
flat angles P-C4'-P energy: -7.890
tors. eta vs tors. theta energy: -12.207
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: 8
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -104.709677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.709677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.709677 (E_RNA)
where:
Base-Base interactions energy: -38.588
where: short stacking energy: -38.588
Base-Backbone interact. energy: 0.360
local terms energy: -66.482295
where:
bonds (distance) C4'-P energy: -16.778
bonds (distance) P-C4' energy: -18.675
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -5.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -88.795599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.795599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.795599 (E_RNA)
where:
Base-Base interactions energy: -37.673
where: short stacking energy: -23.854
Base-Backbone interact. energy: -1.444
local terms energy: -49.678683
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -9.935
flat angles P-C4'-P energy: -8.397
tors. eta vs tors. theta energy: -2.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -88.902190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.902190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.902190 (E_RNA)
where:
Base-Base interactions energy: -38.731
where: short stacking energy: -33.174
Base-Backbone interact. energy: -0.797
local terms energy: -49.374513
where:
bonds (distance) C4'-P energy: -16.724
bonds (distance) P-C4' energy: -11.876
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -6.678
tors. eta vs tors. theta energy: -1.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -76.465860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.465860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.465860 (E_RNA)
where:
Base-Base interactions energy: -28.371
where: short stacking energy: -17.671
Base-Backbone interact. energy: -0.443
local terms energy: -47.651697
where:
bonds (distance) C4'-P energy: -16.182
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -12.792
flat angles P-C4'-P energy: -2.653
tors. eta vs tors. theta energy: 1.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -258.959780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.959780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.959780 (E_RNA)
where:
Base-Base interactions energy: -164.253
where: short stacking energy: -81.914
Base-Backbone interact. energy: -0.018
local terms energy: -94.688792
where:
bonds (distance) C4'-P energy: -17.367
bonds (distance) P-C4' energy: -16.592
flat angles C4'-P-C4' energy: -19.132
flat angles P-C4'-P energy: -14.679
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: 2, replica: 10
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -232.511688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.511688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.511688 (E_RNA)
where:
Base-Base interactions energy: -156.765
where: short stacking energy: -67.133
Base-Backbone interact. energy: -0.192
local terms energy: -75.554442
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -20.656
flat angles C4'-P-C4' energy: -12.221
flat angles P-C4'-P energy: -12.162
tors. eta vs tors. theta energy: -14.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -222.550181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.550181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.550181 (E_RNA)
where:
Base-Base interactions energy: -154.268
where: short stacking energy: -58.552
Base-Backbone interact. energy: -0.395
local terms energy: -67.887004
where:
bonds (distance) C4'-P energy: -16.383
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -11.559
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -12.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -195.403756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.403756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.403756 (E_RNA)
where:
Base-Base interactions energy: -112.255
where: short stacking energy: -53.632
Base-Backbone interact. energy: -0.050
local terms energy: -83.098665
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -19.577
flat angles C4'-P-C4' energy: -19.242
flat angles P-C4'-P energy: -12.392
tors. eta vs tors. theta energy: -18.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -196.142456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.142456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.142456 (E_RNA)
where:
Base-Base interactions energy: -122.435
where: short stacking energy: -56.837
Base-Backbone interact. energy: -0.137
local terms energy: -73.570179
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -17.538
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: -15.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -148.261180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.261180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.261180 (E_RNA)
where:
Base-Base interactions energy: -79.552
where: short stacking energy: -40.878
Base-Backbone interact. energy: -0.104
local terms energy: -68.605161
where:
bonds (distance) C4'-P energy: -18.103
bonds (distance) P-C4' energy: -14.689
flat angles C4'-P-C4' energy: -16.969
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -8.708
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: 5
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -107.538015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.538015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.538015 (E_RNA)
where:
Base-Base interactions energy: -39.708
where: short stacking energy: -33.790
Base-Backbone interact. energy: -0.087
local terms energy: -67.743111
where:
bonds (distance) C4'-P energy: -17.262
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: -7.722
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: 8
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -85.778477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.778477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.778477 (E_RNA)
where:
Base-Base interactions energy: -32.824
where: short stacking energy: -28.444
Base-Backbone interact. energy: -1.138
local terms energy: -51.816004
where:
bonds (distance) C4'-P energy: -7.416
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -14.417
tors. eta vs tors. theta energy: -0.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -88.867534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.867534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.867534 (E_RNA)
where:
Base-Base interactions energy: -27.971
where: short stacking energy: -24.690
Base-Backbone interact. energy: 0.452
local terms energy: -61.348502
where:
bonds (distance) C4'-P energy: -17.970
bonds (distance) P-C4' energy: -17.171
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -6.743
tors. eta vs tors. theta energy: -6.067
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: 7
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -84.294959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.294959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.294959 (E_RNA)
where:
Base-Base interactions energy: -18.506
where: short stacking energy: -13.983
Base-Backbone interact. energy: -0.321
local terms energy: -65.467446
where:
bonds (distance) C4'-P energy: -16.401
bonds (distance) P-C4' energy: -17.633
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -12.091
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: 6
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -262.031130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.031130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.031130 (E_RNA)
where:
Base-Base interactions energy: -172.702
where: short stacking energy: -85.507
Base-Backbone interact. energy: -0.367
local terms energy: -88.962077
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -19.153
flat angles C4'-P-C4' energy: -19.857
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -25.860
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: 2, replica: 1
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -226.217584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.217584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.217584 (E_RNA)
where:
Base-Base interactions energy: -150.925
where: short stacking energy: -69.158
Base-Backbone interact. energy: -0.068
local terms energy: -75.225271
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -16.229
flat angles C4'-P-C4' energy: -17.297
flat angles P-C4'-P energy: -10.421
tors. eta vs tors. theta energy: -17.366
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: 171
Temperature: 1.000000
Total energy: -240.950334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.950334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.950334 (E_RNA)
where:
Base-Base interactions energy: -152.998
where: short stacking energy: -69.816
Base-Backbone interact. energy: -0.080
local terms energy: -87.871912
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -19.359
flat angles C4'-P-C4' energy: -21.014
flat angles P-C4'-P energy: -15.820
tors. eta vs tors. theta energy: -17.262
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: 4, replica: 2
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -191.617638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.617638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.617638 (E_RNA)
where:
Base-Base interactions energy: -117.936
where: short stacking energy: -48.787
Base-Backbone interact. energy: -0.075
local terms energy: -73.607394
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -9.601
flat angles P-C4'-P energy: -13.380
tors. eta vs tors. theta energy: -16.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -167.706654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.706654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.706654 (E_RNA)
where:
Base-Base interactions energy: -99.931
where: short stacking energy: -43.387
Base-Backbone interact. energy: -0.229
local terms energy: -67.546930
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -15.477
flat angles P-C4'-P energy: -12.414
tors. eta vs tors. theta energy: -8.316
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: 4
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -155.985147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.985147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.985147 (E_RNA)
where:
Base-Base interactions energy: -86.684
where: short stacking energy: -45.118
Base-Backbone interact. energy: -0.119
local terms energy: -69.182276
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -17.072
flat angles P-C4'-P energy: -13.485
tors. eta vs tors. theta energy: -10.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -114.528701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.528701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.528701 (E_RNA)
where:
Base-Base interactions energy: -50.058
where: short stacking energy: -40.018
Base-Backbone interact. energy: 0.434
local terms energy: -64.904846
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -19.010
flat angles C4'-P-C4' energy: -10.642
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -11.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -102.291414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.291414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.291414 (E_RNA)
where:
Base-Base interactions energy: -52.523
where: short stacking energy: -34.801
Base-Backbone interact. energy: -0.181
local terms energy: -49.587359
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -8.917
flat angles P-C4'-P energy: -7.062
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: 9, replica: 8
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -81.239519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.239519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.239519 (E_RNA)
where:
Base-Base interactions energy: -25.028
where: short stacking energy: -11.160
Base-Backbone interact. energy: -0.160
local terms energy: -56.051465
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -18.508
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -13.681
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: 10, replica: 7
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -89.601750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.601750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.601750 (E_RNA)
where:
Base-Base interactions energy: -32.924
where: short stacking energy: -32.924
Base-Backbone interact. energy: -0.129
local terms energy: -56.549038
where:
bonds (distance) C4'-P energy: -12.399
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -15.069
flat angles P-C4'-P energy: -8.924
tors. eta vs tors. theta energy: -6.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -237.885203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.885203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.885203 (E_RNA)
where:
Base-Base interactions energy: -157.288
where: short stacking energy: -66.810
Base-Backbone interact. energy: -0.065
local terms energy: -80.531645
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -18.792
flat angles P-C4'-P energy: -13.044
tors. eta vs tors. theta energy: -18.868
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: 2, replica: 6
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -246.437004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.437004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.437004 (E_RNA)
where:
Base-Base interactions energy: -156.181
where: short stacking energy: -65.338
Base-Backbone interact. energy: -0.549
local terms energy: -89.707245
where:
bonds (distance) C4'-P energy: -17.228
bonds (distance) P-C4' energy: -20.327
flat angles C4'-P-C4' energy: -17.810
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -22.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -233.017045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.017045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.017045 (E_RNA)
where:
Base-Base interactions energy: -149.921
where: short stacking energy: -68.171
Base-Backbone interact. energy: -0.271
local terms energy: -82.824632
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -19.991
flat angles P-C4'-P energy: -12.045
tors. eta vs tors. theta energy: -20.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -179.481724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.481724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.481724 (E_RNA)
where:
Base-Base interactions energy: -104.822
where: short stacking energy: -53.226
Base-Backbone interact. energy: -0.856
local terms energy: -73.803725
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -18.706
flat angles C4'-P-C4' energy: -11.685
flat angles P-C4'-P energy: -15.786
tors. eta vs tors. theta energy: -14.463
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: 4
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -202.827746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.827746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.827746 (E_RNA)
where:
Base-Base interactions energy: -127.203
where: short stacking energy: -69.279
Base-Backbone interact. energy: -0.055
local terms energy: -75.569287
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -12.033
flat angles C4'-P-C4' energy: -18.088
flat angles P-C4'-P energy: -11.456
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: 6, replica: 3
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -152.384614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.384614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.384614 (E_RNA)
where:
Base-Base interactions energy: -86.145
where: short stacking energy: -28.573
Base-Backbone interact. energy: -0.291
local terms energy: -65.949168
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -7.854
tors. eta vs tors. theta energy: -12.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -95.737208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.737208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.737208 (E_RNA)
where:
Base-Base interactions energy: -32.507
where: short stacking energy: -24.049
Base-Backbone interact. energy: -0.899
local terms energy: -62.330422
where:
bonds (distance) C4'-P energy: -15.920
bonds (distance) P-C4' energy: -16.872
flat angles C4'-P-C4' energy: -18.006
flat angles P-C4'-P energy: -5.957
tors. eta vs tors. theta energy: -5.575
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: 8, replica: 5
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -92.445116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.445116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.445116 (E_RNA)
where:
Base-Base interactions energy: -36.702
where: short stacking energy: -32.840
Base-Backbone interact. energy: -0.874
local terms energy: -54.868216
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -19.771
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -7.690
tors. eta vs tors. theta energy: -0.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -96.762765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.762765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.762765 (E_RNA)
where:
Base-Base interactions energy: -34.265
where: short stacking energy: -26.244
Base-Backbone interact. energy: -0.328
local terms energy: -62.170306
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -16.864
flat angles P-C4'-P energy: -13.146
tors. eta vs tors. theta energy: 0.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -71.756965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.756965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.756965 (E_RNA)
where:
Base-Base interactions energy: -22.378
where: short stacking energy: -18.144
Base-Backbone interact. energy: -1.262
local terms energy: -48.116537
where:
bonds (distance) C4'-P energy: -9.153
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -9.362
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -1.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -239.870486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.870486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.870486 (E_RNA)
where:
Base-Base interactions energy: -154.560
where: short stacking energy: -70.103
Base-Backbone interact. energy: -0.094
local terms energy: -85.216218
where:
bonds (distance) C4'-P energy: -18.052
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -18.281
flat angles P-C4'-P energy: -13.293
tors. eta vs tors. theta energy: -19.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -240.150555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.150555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.150555 (E_RNA)
where:
Base-Base interactions energy: -160.674
where: short stacking energy: -72.801
Base-Backbone interact. energy: -0.120
local terms energy: -79.355707
where:
bonds (distance) C4'-P energy: -16.472
bonds (distance) P-C4' energy: -19.527
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -13.557
tors. eta vs tors. theta energy: -14.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -254.555196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.555196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.555196 (E_RNA)
where:
Base-Base interactions energy: -168.418
where: short stacking energy: -82.687
Base-Backbone interact. energy: 0.635
local terms energy: -86.771870
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -19.425
flat angles C4'-P-C4' energy: -18.630
flat angles P-C4'-P energy: -11.515
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: 2
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -193.701947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.701947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.701947 (E_RNA)
where:
Base-Base interactions energy: -116.908
where: short stacking energy: -64.029
Base-Backbone interact. energy: -0.436
local terms energy: -76.357753
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -11.166
tors. eta vs tors. theta energy: -19.866
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: -193.735615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.735615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.735615 (E_RNA)
where:
Base-Base interactions energy: -119.114
where: short stacking energy: -66.192
Base-Backbone interact. energy: -0.125
local terms energy: -74.496276
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -8.603
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: 3
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -180.371319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.371319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.371319 (E_RNA)
where:
Base-Base interactions energy: -112.423
where: short stacking energy: -60.164
Base-Backbone interact. energy: 1.602
local terms energy: -69.549663
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -16.236
flat angles C4'-P-C4' energy: -13.550
flat angles P-C4'-P energy: -7.100
tors. eta vs tors. theta energy: -16.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -89.143089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.143089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.143089 (E_RNA)
where:
Base-Base interactions energy: -33.506
where: short stacking energy: -28.230
Base-Backbone interact. energy: 0.354
local terms energy: -55.991351
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -15.951
flat angles C4'-P-C4' energy: -17.146
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: -1.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -89.620493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.620493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.620493 (E_RNA)
where:
Base-Base interactions energy: -41.968
where: short stacking energy: -28.425
Base-Backbone interact. energy: -0.955
local terms energy: -46.697616
where:
bonds (distance) C4'-P energy: -9.826
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -2.484
tors. eta vs tors. theta energy: -1.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -86.166797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.166797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.166797 (E_RNA)
where:
Base-Base interactions energy: -32.103
where: short stacking energy: -25.618
Base-Backbone interact. energy: -0.374
local terms energy: -53.690477
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -14.852
tors. eta vs tors. theta energy: 4.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -95.111085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.111085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.111085 (E_RNA)
where:
Base-Base interactions energy: -41.264
where: short stacking energy: -32.337
Base-Backbone interact. energy: -0.482
local terms energy: -53.365314
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -9.093
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: -6.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -245.891077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.891077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.891077 (E_RNA)
where:
Base-Base interactions energy: -160.179
where: short stacking energy: -74.696
Base-Backbone interact. energy: -0.294
local terms energy: -85.418216
where:
bonds (distance) C4'-P energy: -19.209
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -20.522
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -19.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -234.277031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.277031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.277031 (E_RNA)
where:
Base-Base interactions energy: -154.645
where: short stacking energy: -66.990
Base-Backbone interact. energy: -0.165
local terms energy: -79.467099
where:
bonds (distance) C4'-P energy: -18.649
bonds (distance) P-C4' energy: -15.590
flat angles C4'-P-C4' energy: -16.900
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -18.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -249.637414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.637414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.637414 (E_RNA)
where:
Base-Base interactions energy: -163.336
where: short stacking energy: -82.733
Base-Backbone interact. energy: -0.729
local terms energy: -85.572487
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -17.281
flat angles P-C4'-P energy: -11.037
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: 4, replica: 2
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -196.880629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.880629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.880629 (E_RNA)
where:
Base-Base interactions energy: -122.886
where: short stacking energy: -58.897
Base-Backbone interact. energy: -0.036
local terms energy: -73.957830
where:
bonds (distance) C4'-P energy: -16.346
bonds (distance) P-C4' energy: -17.930
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -15.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -143.042806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.042806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.042806 (E_RNA)
where:
Base-Base interactions energy: -72.667
where: short stacking energy: -34.884
Base-Backbone interact. energy: -0.100
local terms energy: -70.276391
where:
bonds (distance) C4'-P energy: -17.838
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -10.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -105.401857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.401857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.401857 (E_RNA)
where:
Base-Base interactions energy: -48.509
where: short stacking energy: -32.659
Base-Backbone interact. energy: -0.747
local terms energy: -56.146213
where:
bonds (distance) C4'-P energy: -16.364
bonds (distance) P-C4' energy: -10.155
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -9.877
tors. eta vs tors. theta energy: -4.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -97.212706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.212706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.212706 (E_RNA)
where:
Base-Base interactions energy: -47.300
where: short stacking energy: -36.524
Base-Backbone interact. energy: -0.113
local terms energy: -49.799214
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -7.700
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -8.065
tors. eta vs tors. theta energy: -5.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -82.371996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.371996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.371996 (E_RNA)
where:
Base-Base interactions energy: -32.676
where: short stacking energy: -32.676
Base-Backbone interact. energy: -0.540
local terms energy: -49.156426
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -10.284
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -4.502
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: 9, replica: 5
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -98.615131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.615131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.615131 (E_RNA)
where:
Base-Base interactions energy: -50.324
where: short stacking energy: -37.253
Base-Backbone interact. energy: -0.002
local terms energy: -48.289425
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -14.837
flat angles C4'-P-C4' energy: -10.579
flat angles P-C4'-P energy: -3.080
tors. eta vs tors. theta energy: -8.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -91.582261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.582261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.582261 (E_RNA)
where:
Base-Base interactions energy: -43.239
where: short stacking energy: -35.287
Base-Backbone interact. energy: -0.160
local terms energy: -48.183277
where:
bonds (distance) C4'-P energy: -11.778
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -9.110
flat angles P-C4'-P energy: -8.099
tors. eta vs tors. theta energy: -4.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -247.730428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.730428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.730428 (E_RNA)
where:
Base-Base interactions energy: -163.327
where: short stacking energy: -67.128
Base-Backbone interact. energy: 1.614
local terms energy: -86.017813
where:
bonds (distance) C4'-P energy: -18.069
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -16.989
flat angles P-C4'-P energy: -13.215
tors. eta vs tors. theta energy: -18.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -252.946603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.946603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.946603 (E_RNA)
where:
Base-Base interactions energy: -165.418
where: short stacking energy: -83.314
Base-Backbone interact. energy: -0.016
local terms energy: -87.512687
where:
bonds (distance) C4'-P energy: -11.487
bonds (distance) P-C4' energy: -18.312
flat angles C4'-P-C4' energy: -17.207
flat angles P-C4'-P energy: -14.077
tors. eta vs tors. theta energy: -26.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -227.388390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.388390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.388390 (E_RNA)
where:
Base-Base interactions energy: -151.145
where: short stacking energy: -65.057
Base-Backbone interact. energy: -0.204
local terms energy: -76.039559
where:
bonds (distance) C4'-P energy: -17.879
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -8.480
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: 2
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -184.765237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.765237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.765237 (E_RNA)
where:
Base-Base interactions energy: -106.683
where: short stacking energy: -56.973
Base-Backbone interact. energy: 0.089
local terms energy: -78.171360
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -12.546
flat angles C4'-P-C4' energy: -17.111
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -22.391
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: 5, replica: 4
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -180.561165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.561165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.561165 (E_RNA)
where:
Base-Base interactions energy: -111.117
where: short stacking energy: -55.270
Base-Backbone interact. energy: -0.009
local terms energy: -69.435055
where:
bonds (distance) C4'-P energy: -17.737
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -7.438
tors. eta vs tors. theta energy: -17.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -106.814108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.814108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.814108 (E_RNA)
where:
Base-Base interactions energy: -49.716
where: short stacking energy: -39.047
Base-Backbone interact. energy: -1.872
local terms energy: -55.226098
where:
bonds (distance) C4'-P energy: -10.833
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -17.390
flat angles P-C4'-P energy: -3.957
tors. eta vs tors. theta energy: -8.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -91.933092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.933092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.933092 (E_RNA)
where:
Base-Base interactions energy: -27.104
where: short stacking energy: -27.104
Base-Backbone interact. energy: -0.124
local terms energy: -64.704250
where:
bonds (distance) C4'-P energy: -17.680
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -10.967
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -7.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -96.753291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.753291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.753291 (E_RNA)
where:
Base-Base interactions energy: -43.444
where: short stacking energy: -31.289
Base-Backbone interact. energy: -0.043
local terms energy: -53.265854
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -11.705
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -2.721
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: 5
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -83.587694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.587694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.587694 (E_RNA)
where:
Base-Base interactions energy: -34.926
where: short stacking energy: -16.416
Base-Backbone interact. energy: -0.144
local terms energy: -48.517398
where:
bonds (distance) C4'-P energy: -12.249
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -7.524
tors. eta vs tors. theta energy: 2.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -81.330977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.330977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.330977 (E_RNA)
where:
Base-Base interactions energy: -27.567
where: short stacking energy: -24.347
Base-Backbone interact. energy: -0.152
local terms energy: -53.612126
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -2.399
tors. eta vs tors. theta energy: -4.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -263.536311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.536311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.536311 (E_RNA)
where:
Base-Base interactions energy: -169.927
where: short stacking energy: -78.162
Base-Backbone interact. energy: -0.180
local terms energy: -93.429689
where:
bonds (distance) C4'-P energy: -17.610
bonds (distance) P-C4' energy: -16.466
flat angles C4'-P-C4' energy: -18.015
flat angles P-C4'-P energy: -14.423
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: 10
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -220.215793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.215793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.215793 (E_RNA)
where:
Base-Base interactions energy: -154.207
where: short stacking energy: -63.695
Base-Backbone interact. energy: -0.310
local terms energy: -65.698447
where:
bonds (distance) C4'-P energy: -9.840
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -13.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -189.552110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.552110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.552110 (E_RNA)
where:
Base-Base interactions energy: -120.283
where: short stacking energy: -51.684
Base-Backbone interact. energy: 0.724
local terms energy: -69.993431
where:
bonds (distance) C4'-P energy: -16.601
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -8.692
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: 4, replica: 1
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -224.069630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.069630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.069630 (E_RNA)
where:
Base-Base interactions energy: -141.657
where: short stacking energy: -61.102
Base-Backbone interact. energy: -0.284
local terms energy: -82.128752
where:
bonds (distance) C4'-P energy: -17.894
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -16.147
flat angles P-C4'-P energy: -14.605
tors. eta vs tors. theta energy: -16.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -175.156273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.156273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.156273 (E_RNA)
where:
Base-Base interactions energy: -108.248
where: short stacking energy: -54.376
Base-Backbone interact. energy: -0.107
local terms energy: -66.801602
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -11.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -126.491819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.491819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.491819 (E_RNA)
where:
Base-Base interactions energy: -52.323
where: short stacking energy: -49.978
Base-Backbone interact. energy: -0.268
local terms energy: -73.900744
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -18.852
flat angles C4'-P-C4' energy: -18.053
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -15.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -96.210921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.210921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.210921 (E_RNA)
where:
Base-Base interactions energy: -39.698
where: short stacking energy: -21.152
Base-Backbone interact. energy: -0.132
local terms energy: -56.380919
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -12.427
tors. eta vs tors. theta energy: 1.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -93.958767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.958767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.958767 (E_RNA)
where:
Base-Base interactions energy: -37.245
where: short stacking energy: -33.990
Base-Backbone interact. energy: -0.098
local terms energy: -56.615218
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -18.574
flat angles C4'-P-C4' energy: -8.971
flat angles P-C4'-P energy: -8.541
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: 9, replica: 8
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -79.346154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.346154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.346154 (E_RNA)
where:
Base-Base interactions energy: -18.995
where: short stacking energy: -18.418
Base-Backbone interact. energy: -0.184
local terms energy: -60.167420
where:
bonds (distance) C4'-P energy: -17.978
bonds (distance) P-C4' energy: -17.700
flat angles C4'-P-C4' energy: -15.998
flat angles P-C4'-P energy: -9.109
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: 5
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -80.928251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.928251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.928251 (E_RNA)
where:
Base-Base interactions energy: -32.587
where: short stacking energy: -31.375
Base-Backbone interact. energy: -0.244
local terms energy: -48.096906
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -17.152
flat angles P-C4'-P energy: -5.568
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: 1, replica: 6
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -265.695863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.695863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.695863 (E_RNA)
where:
Base-Base interactions energy: -172.655
where: short stacking energy: -82.914
Base-Backbone interact. energy: -1.301
local terms energy: -91.739517
where:
bonds (distance) C4'-P energy: -14.526
bonds (distance) P-C4' energy: -17.085
flat angles C4'-P-C4' energy: -21.223
flat angles P-C4'-P energy: -14.872
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: 2, replica: 10
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -228.361106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.361106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.361106 (E_RNA)
where:
Base-Base interactions energy: -148.476
where: short stacking energy: -56.036
Base-Backbone interact. energy: 0.148
local terms energy: -80.033488
where:
bonds (distance) C4'-P energy: -17.038
bonds (distance) P-C4' energy: -18.611
flat angles C4'-P-C4' energy: -17.938
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -15.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -207.292111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.292111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.292111 (E_RNA)
where:
Base-Base interactions energy: -131.349
where: short stacking energy: -68.714
Base-Backbone interact. energy: -0.348
local terms energy: -75.594890
where:
bonds (distance) C4'-P energy: -8.492
bonds (distance) P-C4' energy: -19.785
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -10.675
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: 4, replica: 1
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -230.496240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.496240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.496240 (E_RNA)
where:
Base-Base interactions energy: -145.978
where: short stacking energy: -65.273
Base-Backbone interact. energy: -0.082
local terms energy: -84.435902
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -17.448
flat angles C4'-P-C4' energy: -18.944
flat angles P-C4'-P energy: -13.885
tors. eta vs tors. theta energy: -17.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -186.927615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.927615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.927615 (E_RNA)
where:
Base-Base interactions energy: -115.990
where: short stacking energy: -56.446
Base-Backbone interact. energy: -0.128
local terms energy: -70.810036
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -11.795
flat angles C4'-P-C4' energy: -19.092
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: -12.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -108.339671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.339671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.339671 (E_RNA)
where:
Base-Base interactions energy: -53.790
where: short stacking energy: -33.614
Base-Backbone interact. energy: -0.372
local terms energy: -54.178570
where:
bonds (distance) C4'-P energy: -18.295
bonds (distance) P-C4' energy: -16.552
flat angles C4'-P-C4' energy: -12.196
flat angles P-C4'-P energy: -3.418
tors. eta vs tors. theta energy: -3.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -92.720060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.720060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.720060 (E_RNA)
where:
Base-Base interactions energy: -45.662
where: short stacking energy: -35.847
Base-Backbone interact. energy: -0.462
local terms energy: -46.595203
where:
bonds (distance) C4'-P energy: -7.930
bonds (distance) P-C4' energy: -10.666
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -5.269
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: 8, replica: 8
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -90.180866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.180866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.180866 (E_RNA)
where:
Base-Base interactions energy: -28.527
where: short stacking energy: -24.998
Base-Backbone interact. energy: 0.993
local terms energy: -62.647241
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -18.190
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -4.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -103.760382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.760382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.760382 (E_RNA)
where:
Base-Base interactions energy: -44.499
where: short stacking energy: -44.468
Base-Backbone interact. energy: -0.126
local terms energy: -59.135767
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -12.975
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: -7.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -94.384293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.384293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.384293 (E_RNA)
where:
Base-Base interactions energy: -45.736
where: short stacking energy: -31.578
Base-Backbone interact. energy: 0.927
local terms energy: -49.575031
where:
bonds (distance) C4'-P energy: -11.676
bonds (distance) P-C4' energy: -12.136
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -11.154
tors. eta vs tors. theta energy: 0.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -260.056412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.056412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.056412 (E_RNA)
where:
Base-Base interactions energy: -167.562
where: short stacking energy: -79.392
Base-Backbone interact. energy: -0.013
local terms energy: -92.480816
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -19.372
flat angles P-C4'-P energy: -15.460
tors. eta vs tors. theta energy: -25.230
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: 10
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -230.299752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.299752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.299752 (E_RNA)
where:
Base-Base interactions energy: -144.728
where: short stacking energy: -65.431
Base-Backbone interact. energy: -0.137
local terms energy: -85.435046
where:
bonds (distance) C4'-P energy: -16.095
bonds (distance) P-C4' energy: -17.585
flat angles C4'-P-C4' energy: -19.229
flat angles P-C4'-P energy: -14.873
tors. eta vs tors. theta energy: -17.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -227.510884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.510884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.510884 (E_RNA)
where:
Base-Base interactions energy: -141.276
where: short stacking energy: -67.096
Base-Backbone interact. energy: -0.285
local terms energy: -85.950169
where:
bonds (distance) C4'-P energy: -15.603
bonds (distance) P-C4' energy: -18.540
flat angles C4'-P-C4' energy: -17.377
flat angles P-C4'-P energy: -14.520
tors. eta vs tors. theta energy: -19.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -211.848998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.848998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.848998 (E_RNA)
where:
Base-Base interactions energy: -134.854
where: short stacking energy: -56.703
Base-Backbone interact. energy: -0.213
local terms energy: -76.781772
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -18.374
flat angles C4'-P-C4' energy: -16.306
flat angles P-C4'-P energy: -6.041
tors. eta vs tors. theta energy: -20.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -185.453019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.453019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.453019 (E_RNA)
where:
Base-Base interactions energy: -119.067
where: short stacking energy: -49.631
Base-Backbone interact. energy: -0.168
local terms energy: -66.218781
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -14.690
flat angles C4'-P-C4' energy: -18.179
flat angles P-C4'-P energy: -10.239
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: 6, replica: 7
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -113.748115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.748115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.748115 (E_RNA)
where:
Base-Base interactions energy: -58.820
where: short stacking energy: -39.733
Base-Backbone interact. energy: -0.901
local terms energy: -54.026501
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -16.409
flat angles C4'-P-C4' energy: -10.015
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: -5.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -110.357106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.357106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.357106 (E_RNA)
where:
Base-Base interactions energy: -50.639
where: short stacking energy: -34.775
Base-Backbone interact. energy: -0.195
local terms energy: -59.522846
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -16.953
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: -3.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -87.064227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.064227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.064227 (E_RNA)
where:
Base-Base interactions energy: -34.045
where: short stacking energy: -28.730
Base-Backbone interact. energy: -0.287
local terms energy: -52.732956
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -17.637
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -3.875
tors. eta vs tors. theta energy: -1.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -83.885732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.885732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.885732 (E_RNA)
where:
Base-Base interactions energy: -28.228
where: short stacking energy: -21.394
Base-Backbone interact. energy: -0.446
local terms energy: -55.211436
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -4.151
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: 10, replica: 5
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -84.195741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.195741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.195741 (E_RNA)
where:
Base-Base interactions energy: -30.422
where: short stacking energy: -30.813
Base-Backbone interact. energy: -0.170
local terms energy: -53.604314
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -12.562
flat angles P-C4'-P energy: -5.945
tors. eta vs tors. theta energy: -7.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -257.024286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.024286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.024286 (E_RNA)
where:
Base-Base interactions energy: -164.792
where: short stacking energy: -72.334
Base-Backbone interact. energy: -0.096
local terms energy: -92.135690
where:
bonds (distance) C4'-P energy: -17.419
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -14.263
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: 2, replica: 1
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -236.968237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.968237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.968237 (E_RNA)
where:
Base-Base interactions energy: -150.259
where: short stacking energy: -64.562
Base-Backbone interact. energy: -0.138
local terms energy: -86.572104
where:
bonds (distance) C4'-P energy: -18.884
bonds (distance) P-C4' energy: -18.819
flat angles C4'-P-C4' energy: -20.046
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: -15.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -226.489307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.489307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.489307 (E_RNA)
where:
Base-Base interactions energy: -150.985
where: short stacking energy: -70.595
Base-Backbone interact. energy: -0.558
local terms energy: -74.946308
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -18.011
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -17.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -197.443622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.443622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.443622 (E_RNA)
where:
Base-Base interactions energy: -116.401
where: short stacking energy: -46.852
Base-Backbone interact. energy: -0.253
local terms energy: -80.789821
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -17.666
flat angles C4'-P-C4' energy: -17.514
flat angles P-C4'-P energy: -14.503
tors. eta vs tors. theta energy: -18.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -169.019892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.019892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.019892 (E_RNA)
where:
Base-Base interactions energy: -99.038
where: short stacking energy: -37.372
Base-Backbone interact. energy: 0.111
local terms energy: -70.092889
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -18.238
flat angles C4'-P-C4' energy: -17.532
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -8.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -104.907226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.907226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.907226 (E_RNA)
where:
Base-Base interactions energy: -39.253
where: short stacking energy: -39.208
Base-Backbone interact. energy: 1.303
local terms energy: -66.957358
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -18.226
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -10.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -91.122278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.122278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.122278 (E_RNA)
where:
Base-Base interactions energy: -32.409
where: short stacking energy: -26.967
Base-Backbone interact. energy: -0.056
local terms energy: -58.657802
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -21.057
flat angles C4'-P-C4' energy: -12.144
flat angles P-C4'-P energy: -9.714
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: 8, replica: 3
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -79.916615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.916615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.916615 (E_RNA)
where:
Base-Base interactions energy: -30.989
where: short stacking energy: -28.603
Base-Backbone interact. energy: -0.664
local terms energy: -48.263099
where:
bonds (distance) C4'-P energy: -12.535
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -0.497
tors. eta vs tors. theta energy: -3.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -85.657994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.657994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.657994 (E_RNA)
where:
Base-Base interactions energy: -24.910
where: short stacking energy: -21.788
Base-Backbone interact. energy: -0.611
local terms energy: -60.136532
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -12.267
flat angles P-C4'-P energy: -9.428
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: 10, replica: 5
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -87.855595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.855595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.855595 (E_RNA)
where:
Base-Base interactions energy: -29.433
where: short stacking energy: -25.171
Base-Backbone interact. energy: -0.176
local terms energy: -58.246595
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -7.944
tors. eta vs tors. theta energy: -2.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -260.074469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.074469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.074469 (E_RNA)
where:
Base-Base interactions energy: -162.764
where: short stacking energy: -82.310
Base-Backbone interact. energy: -0.958
local terms energy: -96.352217
where:
bonds (distance) C4'-P energy: -17.548
bonds (distance) P-C4' energy: -19.249
flat angles C4'-P-C4' energy: -19.873
flat angles P-C4'-P energy: -11.743
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: 2, replica: 1
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -245.708719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.708719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.708719 (E_RNA)
where:
Base-Base interactions energy: -159.361
where: short stacking energy: -70.725
Base-Backbone interact. energy: -0.283
local terms energy: -86.065401
where:
bonds (distance) C4'-P energy: -13.301
bonds (distance) P-C4' energy: -20.190
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -15.149
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: 3, replica: 10
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -226.832440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.832440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.832440 (E_RNA)
where:
Base-Base interactions energy: -149.909
where: short stacking energy: -69.159
Base-Backbone interact. energy: 1.314
local terms energy: -78.237057
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -18.721
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -14.414
tors. eta vs tors. theta energy: -16.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -195.618166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.618166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.618166 (E_RNA)
where:
Base-Base interactions energy: -115.007
where: short stacking energy: -54.880
Base-Backbone interact. energy: -0.056
local terms energy: -80.555056
where:
bonds (distance) C4'-P energy: -18.900
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -18.813
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -18.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -204.552942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.552942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.552942 (E_RNA)
where:
Base-Base interactions energy: -132.578
where: short stacking energy: -55.853
Base-Backbone interact. energy: -0.085
local terms energy: -71.890130
where:
bonds (distance) C4'-P energy: -10.045
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -11.103
tors. eta vs tors. theta energy: -16.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -98.907970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.907970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.907970 (E_RNA)
where:
Base-Base interactions energy: -36.867
where: short stacking energy: -32.316
Base-Backbone interact. energy: -0.301
local terms energy: -61.739609
where:
bonds (distance) C4'-P energy: -12.845
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -4.950
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: 3
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -98.925320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.925320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.925320 (E_RNA)
where:
Base-Base interactions energy: -45.282
where: short stacking energy: -40.819
Base-Backbone interact. energy: -0.454
local terms energy: -53.188993
where:
bonds (distance) C4'-P energy: -14.498
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -8.541
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -3.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -90.820665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.820665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.820665 (E_RNA)
where:
Base-Base interactions energy: -34.851
where: short stacking energy: -23.598
Base-Backbone interact. energy: -0.235
local terms energy: -55.734649
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -16.236
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -10.294
tors. eta vs tors. theta energy: -0.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -82.559099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.559099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.559099 (E_RNA)
where:
Base-Base interactions energy: -17.056
where: short stacking energy: -17.056
Base-Backbone interact. energy: -0.160
local terms energy: -65.342777
where:
bonds (distance) C4'-P energy: -17.216
bonds (distance) P-C4' energy: -17.697
flat angles C4'-P-C4' energy: -16.772
flat angles P-C4'-P energy: -10.686
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: 5
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -80.114061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.114061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.114061 (E_RNA)
where:
Base-Base interactions energy: -25.320
where: short stacking energy: -17.148
Base-Backbone interact. energy: -0.406
local terms energy: -54.387946
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -13.421
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: -0.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -258.470628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.470628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.470628 (E_RNA)
where:
Base-Base interactions energy: -168.995
where: short stacking energy: -79.923
Base-Backbone interact. energy: -0.024
local terms energy: -89.451495
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -18.371
flat angles C4'-P-C4' energy: -17.299
flat angles P-C4'-P energy: -14.183
tors. eta vs tors. theta energy: -25.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -241.808087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.808087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.808087 (E_RNA)
where:
Base-Base interactions energy: -159.280
where: short stacking energy: -73.901
Base-Backbone interact. energy: 1.365
local terms energy: -83.893222
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -13.347
flat angles C4'-P-C4' energy: -21.897
flat angles P-C4'-P energy: -12.698
tors. eta vs tors. theta energy: -21.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -230.435874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.435874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.435874 (E_RNA)
where:
Base-Base interactions energy: -150.796
where: short stacking energy: -64.594
Base-Backbone interact. energy: -0.242
local terms energy: -79.397903
where:
bonds (distance) C4'-P energy: -17.335
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -18.467
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -18.919
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: 4
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -239.792230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.792230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.792230 (E_RNA)
where:
Base-Base interactions energy: -155.677
where: short stacking energy: -78.212
Base-Backbone interact. energy: -0.959
local terms energy: -83.155563
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -16.583
flat angles P-C4'-P energy: -14.687
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: 5, replica: 2
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -183.739643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.739643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.739643 (E_RNA)
where:
Base-Base interactions energy: -110.875
where: short stacking energy: -47.025
Base-Backbone interact. energy: -0.105
local terms energy: -72.759984
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -19.265
flat angles P-C4'-P energy: -5.905
tors. eta vs tors. theta energy: -15.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -121.459668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.459668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.459668 (E_RNA)
where:
Base-Base interactions energy: -61.691
where: short stacking energy: -40.880
Base-Backbone interact. energy: 0.747
local terms energy: -60.516046
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -10.480
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -9.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -96.145812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.145812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.145812 (E_RNA)
where:
Base-Base interactions energy: -40.658
where: short stacking energy: -29.822
Base-Backbone interact. energy: 0.046
local terms energy: -55.533955
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -6.403
tors. eta vs tors. theta energy: -2.822
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: 8, replica: 8
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -108.209913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.209913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.209913 (E_RNA)
where:
Base-Base interactions energy: -40.789
where: short stacking energy: -39.116
Base-Backbone interact. energy: -0.100
local terms energy: -67.320878
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -7.983
tors. eta vs tors. theta energy: -10.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -88.988751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.988751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.988751 (E_RNA)
where:
Base-Base interactions energy: -37.182
where: short stacking energy: -34.460
Base-Backbone interact. energy: 2.038
local terms energy: -53.844278
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -10.782
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -4.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -79.080914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.080914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.080914 (E_RNA)
where:
Base-Base interactions energy: -30.202
where: short stacking energy: -20.569
Base-Backbone interact. energy: 1.263
local terms energy: -50.142111
where:
bonds (distance) C4'-P energy: -16.058
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -7.871
flat angles P-C4'-P energy: -9.538
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: 1, replica: 1
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -238.586359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.586359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.586359 (E_RNA)
where:
Base-Base interactions energy: -155.686
where: short stacking energy: -75.659
Base-Backbone interact. energy: -0.116
local terms energy: -82.783575
where:
bonds (distance) C4'-P energy: -14.808
bonds (distance) P-C4' energy: -18.755
flat angles C4'-P-C4' energy: -17.577
flat angles P-C4'-P energy: -13.244
tors. eta vs tors. theta energy: -18.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -253.881083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.881083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.881083 (E_RNA)
where:
Base-Base interactions energy: -165.026
where: short stacking energy: -78.007
Base-Backbone interact. energy: -0.147
local terms energy: -88.707617
where:
bonds (distance) C4'-P energy: -20.279
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -19.065
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -23.409
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: 4
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -231.500546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.500546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.500546 (E_RNA)
where:
Base-Base interactions energy: -157.781
where: short stacking energy: -69.015
Base-Backbone interact. energy: -0.550
local terms energy: -73.169660
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -11.688
tors. eta vs tors. theta energy: -19.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -229.355190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.355190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.355190 (E_RNA)
where:
Base-Base interactions energy: -149.482
where: short stacking energy: -65.769
Base-Backbone interact. energy: -0.163
local terms energy: -79.710541
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -16.179
flat angles C4'-P-C4' energy: -18.228
flat angles P-C4'-P energy: -12.390
tors. eta vs tors. theta energy: -17.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -174.062867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.062867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.062867 (E_RNA)
where:
Base-Base interactions energy: -99.872
where: short stacking energy: -49.641
Base-Backbone interact. energy: -0.090
local terms energy: -74.100845
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -18.434
flat angles P-C4'-P energy: -11.845
tors. eta vs tors. theta energy: -14.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -90.295087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.295087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.295087 (E_RNA)
where:
Base-Base interactions energy: -31.880
where: short stacking energy: -26.392
Base-Backbone interact. energy: -0.002
local terms energy: -58.413179
where:
bonds (distance) C4'-P energy: -18.127
bonds (distance) P-C4' energy: -14.175
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: 0.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -98.129672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.129672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.129672 (E_RNA)
where:
Base-Base interactions energy: -38.201
where: short stacking energy: -25.413
Base-Backbone interact. energy: -1.305
local terms energy: -58.623108
where:
bonds (distance) C4'-P energy: -12.884
bonds (distance) P-C4' energy: -18.107
flat angles C4'-P-C4' energy: -12.306
flat angles P-C4'-P energy: -13.725
tors. eta vs tors. theta energy: -1.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -91.744536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.744536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.744536 (E_RNA)
where:
Base-Base interactions energy: -30.411
where: short stacking energy: -28.245
Base-Backbone interact. energy: -0.662
local terms energy: -60.672381
where:
bonds (distance) C4'-P energy: -17.461
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -11.375
flat angles P-C4'-P energy: -10.230
tors. eta vs tors. theta energy: -5.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -95.339524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.339524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.339524 (E_RNA)
where:
Base-Base interactions energy: -44.697
where: short stacking energy: -12.525
Base-Backbone interact. energy: -1.399
local terms energy: -49.243005
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -18.135
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -6.609
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: 10, replica: 7
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -79.899182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.899182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.899182 (E_RNA)
where:
Base-Base interactions energy: -29.808
where: short stacking energy: -27.376
Base-Backbone interact. energy: -0.109
local terms energy: -49.982020
where:
bonds (distance) C4'-P energy: -17.272
bonds (distance) P-C4' energy: -13.199
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -6.935
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: 1, replica: 1
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -246.178965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.178965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.178965 (E_RNA)
where:
Base-Base interactions energy: -159.408
where: short stacking energy: -73.583
Base-Backbone interact. energy: -0.290
local terms energy: -86.481637
where:
bonds (distance) C4'-P energy: -15.689
bonds (distance) P-C4' energy: -19.936
flat angles C4'-P-C4' energy: -19.550
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -21.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -238.132348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.132348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.132348 (E_RNA)
where:
Base-Base interactions energy: -156.375
where: short stacking energy: -68.566
Base-Backbone interact. energy: -0.011
local terms energy: -81.746318
where:
bonds (distance) C4'-P energy: -18.207
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -21.147
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: 3, replica: 6
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -234.480111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.480111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.480111 (E_RNA)
where:
Base-Base interactions energy: -154.735
where: short stacking energy: -73.027
Base-Backbone interact. energy: -0.597
local terms energy: -79.147832
where:
bonds (distance) C4'-P energy: -18.057
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -20.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -220.639133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.639133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.639133 (E_RNA)
where:
Base-Base interactions energy: -140.142
where: short stacking energy: -56.560
Base-Backbone interact. energy: -0.104
local terms energy: -80.393418
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -19.951
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -13.189
tors. eta vs tors. theta energy: -17.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -185.017575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.017575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.017575 (E_RNA)
where:
Base-Base interactions energy: -114.349
where: short stacking energy: -56.879
Base-Backbone interact. energy: -0.190
local terms energy: -70.478767
where:
bonds (distance) C4'-P energy: -11.445
bonds (distance) P-C4' energy: -16.999
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -8.535
tors. eta vs tors. theta energy: -17.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -111.154245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.154245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.154245 (E_RNA)
where:
Base-Base interactions energy: -37.505
where: short stacking energy: -35.298
Base-Backbone interact. energy: -0.578
local terms energy: -73.071556
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -12.803
tors. eta vs tors. theta energy: -11.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -90.479907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.479907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.479907 (E_RNA)
where:
Base-Base interactions energy: -36.631
where: short stacking energy: -26.471
Base-Backbone interact. energy: -0.007
local terms energy: -53.842306
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -18.960
flat angles C4'-P-C4' energy: -10.908
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: 0.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -103.962327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.962327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.962327 (E_RNA)
where:
Base-Base interactions energy: -49.637
where: short stacking energy: -35.450
Base-Backbone interact. energy: -0.790
local terms energy: -53.535027
where:
bonds (distance) C4'-P energy: -16.670
bonds (distance) P-C4' energy: -13.344
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -4.947
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: 9, replica: 3
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -87.067631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.067631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.067631 (E_RNA)
where:
Base-Base interactions energy: -29.937
where: short stacking energy: -26.286
Base-Backbone interact. energy: -0.868
local terms energy: -56.263159
where:
bonds (distance) C4'-P energy: -14.507
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -7.683
flat angles P-C4'-P energy: -14.474
tors. eta vs tors. theta energy: -1.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -82.782761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.782761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.782761 (E_RNA)
where:
Base-Base interactions energy: -34.600
where: short stacking energy: -25.105
Base-Backbone interact. energy: -0.251
local terms energy: -47.931600
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: 4.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -251.025080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.025080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.025080 (E_RNA)
where:
Base-Base interactions energy: -159.870
where: short stacking energy: -76.454
Base-Backbone interact. energy: -0.076
local terms energy: -91.079961
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -19.121
flat angles C4'-P-C4' energy: -19.286
flat angles P-C4'-P energy: -15.625
tors. eta vs tors. theta energy: -20.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -239.163601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.163601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.163601 (E_RNA)
where:
Base-Base interactions energy: -158.624
where: short stacking energy: -72.992
Base-Backbone interact. energy: -0.173
local terms energy: -80.366210
where:
bonds (distance) C4'-P energy: -18.101
bonds (distance) P-C4' energy: -16.197
flat angles C4'-P-C4' energy: -17.896
flat angles P-C4'-P energy: -7.547
tors. eta vs tors. theta energy: -20.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -247.221249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.221249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.221249 (E_RNA)
where:
Base-Base interactions energy: -160.495
where: short stacking energy: -75.396
Base-Backbone interact. energy: -0.032
local terms energy: -86.694213
where:
bonds (distance) C4'-P energy: -19.866
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -12.214
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: 4, replica: 10
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -223.429568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.429568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.429568 (E_RNA)
where:
Base-Base interactions energy: -146.760
where: short stacking energy: -62.240
Base-Backbone interact. energy: 0.707
local terms energy: -77.375934
where:
bonds (distance) C4'-P energy: -17.559
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -17.209
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -13.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -183.480862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.480862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.480862 (E_RNA)
where:
Base-Base interactions energy: -118.104
where: short stacking energy: -52.838
Base-Backbone interact. energy: -0.169
local terms energy: -65.207475
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -13.373
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -15.065
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: 8
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -108.425756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.425756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.425756 (E_RNA)
where:
Base-Base interactions energy: -47.041
where: short stacking energy: -35.251
Base-Backbone interact. energy: -0.087
local terms energy: -61.297738
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -19.202
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: -1.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -107.735537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.735537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.735537 (E_RNA)
where:
Base-Base interactions energy: -51.094
where: short stacking energy: -27.325
Base-Backbone interact. energy: -0.486
local terms energy: -56.155521
where:
bonds (distance) C4'-P energy: -17.410
bonds (distance) P-C4' energy: -12.603
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -5.931
tors. eta vs tors. theta energy: -5.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -91.939115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.939115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.939115 (E_RNA)
where:
Base-Base interactions energy: -30.804
where: short stacking energy: -26.398
Base-Backbone interact. energy: -0.100
local terms energy: -61.035466
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -18.956
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: -0.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -87.036196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.036196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.036196 (E_RNA)
where:
Base-Base interactions energy: -34.059
where: short stacking energy: -33.874
Base-Backbone interact. energy: 0.029
local terms energy: -53.006908
where:
bonds (distance) C4'-P energy: -10.111
bonds (distance) P-C4' energy: -16.115
flat angles C4'-P-C4' energy: -12.392
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -2.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -81.357219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.357219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.357219 (E_RNA)
where:
Base-Base interactions energy: -22.289
where: short stacking energy: -20.334
Base-Backbone interact. energy: -0.191
local terms energy: -58.877374
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -12.532
tors. eta vs tors. theta energy: -2.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -247.419080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.419080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.419080 (E_RNA)
where:
Base-Base interactions energy: -158.058
where: short stacking energy: -78.649
Base-Backbone interact. energy: -0.295
local terms energy: -89.065905
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -20.029
flat angles P-C4'-P energy: -13.774
tors. eta vs tors. theta energy: -22.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -244.043556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.043556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.043556 (E_RNA)
where:
Base-Base interactions energy: -156.112
where: short stacking energy: -78.415
Base-Backbone interact. energy: -0.037
local terms energy: -87.894724
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -19.764
flat angles P-C4'-P energy: -13.900
tors. eta vs tors. theta energy: -23.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -229.107636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.107636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.107636 (E_RNA)
where:
Base-Base interactions energy: -145.194
where: short stacking energy: -60.721
Base-Backbone interact. energy: -0.288
local terms energy: -83.626013
where:
bonds (distance) C4'-P energy: -18.652
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -18.615
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -17.972
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: 2
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -191.002975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.002975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.002975 (E_RNA)
where:
Base-Base interactions energy: -116.998
where: short stacking energy: -61.211
Base-Backbone interact. energy: 0.337
local terms energy: -74.341752
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -18.899
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -9.254
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: 10
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -214.505734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.505734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.505734 (E_RNA)
where:
Base-Base interactions energy: -138.714
where: short stacking energy: -56.876
Base-Backbone interact. energy: -0.336
local terms energy: -75.456457
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -18.707
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -11.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -110.783128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.783128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.783128 (E_RNA)
where:
Base-Base interactions energy: -50.482
where: short stacking energy: -29.210
Base-Backbone interact. energy: 0.485
local terms energy: -60.786323
where:
bonds (distance) C4'-P energy: -17.559
bonds (distance) P-C4' energy: -19.693
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -5.913
tors. eta vs tors. theta energy: -1.970
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: 5
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -125.393272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.393272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.393272 (E_RNA)
where:
Base-Base interactions energy: -64.390
where: short stacking energy: -31.091
Base-Backbone interact. energy: -0.268
local terms energy: -60.735063
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -18.245
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -4.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -95.703537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.703537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.703537 (E_RNA)
where:
Base-Base interactions energy: -43.138
where: short stacking energy: -40.021
Base-Backbone interact. energy: 0.297
local terms energy: -52.862101
where:
bonds (distance) C4'-P energy: -3.496
bonds (distance) P-C4' energy: -14.883
flat angles C4'-P-C4' energy: -17.573
flat angles P-C4'-P energy: -10.403
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: 9
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -88.517064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.517064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.517064 (E_RNA)
where:
Base-Base interactions energy: -27.909
where: short stacking energy: -24.897
Base-Backbone interact. energy: -0.019
local terms energy: -60.588733
where:
bonds (distance) C4'-P energy: -17.001
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -7.529
tors. eta vs tors. theta energy: -3.853
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: 7
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -82.575010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.575010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.575010 (E_RNA)
where:
Base-Base interactions energy: -24.994
where: short stacking energy: -24.994
Base-Backbone interact. energy: -0.428
local terms energy: -57.153425
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -19.285
flat angles C4'-P-C4' energy: -10.929
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: -2.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -254.124798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.124798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.124798 (E_RNA)
where:
Base-Base interactions energy: -164.079
where: short stacking energy: -78.323
Base-Backbone interact. energy: -0.009
local terms energy: -90.037001
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -19.366
flat angles C4'-P-C4' energy: -20.123
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: -21.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -233.126151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.126151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.126151 (E_RNA)
where:
Base-Base interactions energy: -148.947
where: short stacking energy: -70.895
Base-Backbone interact. energy: -0.793
local terms energy: -83.386479
where:
bonds (distance) C4'-P energy: -15.657
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -19.461
flat angles P-C4'-P energy: -14.881
tors. eta vs tors. theta energy: -16.463
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: 186
Temperature: 1.000000
Total energy: -204.949878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.949878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.949878 (E_RNA)
where:
Base-Base interactions energy: -124.433
where: short stacking energy: -62.425
Base-Backbone interact. energy: -1.217
local terms energy: -79.300071
where:
bonds (distance) C4'-P energy: -16.524
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -19.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -201.651339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.651339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.651339 (E_RNA)
where:
Base-Base interactions energy: -123.340
where: short stacking energy: -58.882
Base-Backbone interact. energy: -0.323
local terms energy: -77.988013
where:
bonds (distance) C4'-P energy: -17.393
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -11.567
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: -19.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -217.604637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.604637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.604637 (E_RNA)
where:
Base-Base interactions energy: -148.120
where: short stacking energy: -65.899
Base-Backbone interact. energy: -0.247
local terms energy: -69.237675
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -7.708
tors. eta vs tors. theta energy: -17.679
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: 8
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -110.038056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.038056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.038056 (E_RNA)
where:
Base-Base interactions energy: -47.989
where: short stacking energy: -38.067
Base-Backbone interact. energy: -0.776
local terms energy: -61.272394
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: -7.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -108.096148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.096148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.096148 (E_RNA)
where:
Base-Base interactions energy: -42.137
where: short stacking energy: -42.137
Base-Backbone interact. energy: -0.113
local terms energy: -65.845902
where:
bonds (distance) C4'-P energy: -17.246
bonds (distance) P-C4' energy: -11.669
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -10.820
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: 8, replica: 3
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -95.595159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.595159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.595159 (E_RNA)
where:
Base-Base interactions energy: -32.490
where: short stacking energy: -32.490
Base-Backbone interact. energy: -0.023
local terms energy: -63.081459
where:
bonds (distance) C4'-P energy: -16.968
bonds (distance) P-C4' energy: -20.699
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -5.461
tors. eta vs tors. theta energy: -7.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -82.437673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.437673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.437673 (E_RNA)
where:
Base-Base interactions energy: -29.542
where: short stacking energy: -25.830
Base-Backbone interact. energy: -1.139
local terms energy: -51.756738
where:
bonds (distance) C4'-P energy: -9.140
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -9.610
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: 10, replica: 9
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -82.254980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.254980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.254980 (E_RNA)
where:
Base-Base interactions energy: -25.429
where: short stacking energy: -18.103
Base-Backbone interact. energy: -0.629
local terms energy: -56.196625
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -2.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -245.410921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.410921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.410921 (E_RNA)
where:
Base-Base interactions energy: -168.174
where: short stacking energy: -74.943
Base-Backbone interact. energy: -0.016
local terms energy: -77.221086
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -17.551
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -19.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -236.076117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.076117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.076117 (E_RNA)
where:
Base-Base interactions energy: -155.352
where: short stacking energy: -75.616
Base-Backbone interact. energy: -0.170
local terms energy: -80.554743
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -18.485
flat angles P-C4'-P energy: -14.054
tors. eta vs tors. theta energy: -17.428
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: 2
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -206.585193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.585193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.585193 (E_RNA)
where:
Base-Base interactions energy: -130.425
where: short stacking energy: -57.082
Base-Backbone interact. energy: -0.074
local terms energy: -76.085661
where:
bonds (distance) C4'-P energy: -9.824
bonds (distance) P-C4' energy: -21.575
flat angles C4'-P-C4' energy: -19.181
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -16.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -236.933359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.933359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.933359 (E_RNA)
where:
Base-Base interactions energy: -158.050
where: short stacking energy: -60.620
Base-Backbone interact. energy: -0.241
local terms energy: -78.641986
where:
bonds (distance) C4'-P energy: -19.248
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -18.363
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -15.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -204.934337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.934337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.934337 (E_RNA)
where:
Base-Base interactions energy: -126.995
where: short stacking energy: -49.054
Base-Backbone interact. energy: -0.167
local terms energy: -77.773128
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -18.060
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: -17.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -97.729330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.729330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.729330 (E_RNA)
where:
Base-Base interactions energy: -36.570
where: short stacking energy: -24.941
Base-Backbone interact. energy: -0.628
local terms energy: -60.531277
where:
bonds (distance) C4'-P energy: -17.230
bonds (distance) P-C4' energy: -19.246
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -10.943
tors. eta vs tors. theta energy: 0.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -94.434757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.434757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.434757 (E_RNA)
where:
Base-Base interactions energy: -36.595
where: short stacking energy: -29.292
Base-Backbone interact. energy: 0.213
local terms energy: -58.053176
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -17.536
flat angles C4'-P-C4' energy: -14.089
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -3.473
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: 7
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -100.897879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.897879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.897879 (E_RNA)
where:
Base-Base interactions energy: -35.230
where: short stacking energy: -29.802
Base-Backbone interact. energy: -0.437
local terms energy: -65.230728
where:
bonds (distance) C4'-P energy: -16.996
bonds (distance) P-C4' energy: -19.435
flat angles C4'-P-C4' energy: -13.682
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -4.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -82.317106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.317106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.317106 (E_RNA)
where:
Base-Base interactions energy: -30.699
where: short stacking energy: -30.699
Base-Backbone interact. energy: -0.126
local terms energy: -51.492211
where:
bonds (distance) C4'-P energy: -10.711
bonds (distance) P-C4' energy: -14.063
flat angles C4'-P-C4' energy: -11.366
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: -3.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -88.711858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.711858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.711858 (E_RNA)
where:
Base-Base interactions energy: -38.322
where: short stacking energy: -26.089
Base-Backbone interact. energy: 0.147
local terms energy: -50.536944
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -6.026
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: 1, replica: 1
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -236.005854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.005854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.005854 (E_RNA)
where:
Base-Base interactions energy: -151.618
where: short stacking energy: -65.799
Base-Backbone interact. energy: -0.107
local terms energy: -84.280902
where:
bonds (distance) C4'-P energy: -17.938
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -18.366
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: -17.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -250.472154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.472154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.472154 (E_RNA)
where:
Base-Base interactions energy: -163.047
where: short stacking energy: -80.556
Base-Backbone interact. energy: -0.004
local terms energy: -87.421266
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -16.283
tors. eta vs tors. theta energy: -25.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -240.383861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.383861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.383861 (E_RNA)
where:
Base-Base interactions energy: -155.275
where: short stacking energy: -70.056
Base-Backbone interact. energy: 0.025
local terms energy: -85.134592
where:
bonds (distance) C4'-P energy: -16.641
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -18.756
flat angles P-C4'-P energy: -12.704
tors. eta vs tors. theta energy: -19.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -189.793425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.793425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.793425 (E_RNA)
where:
Base-Base interactions energy: -106.322
where: short stacking energy: -53.180
Base-Backbone interact. energy: 1.461
local terms energy: -84.932636
where:
bonds (distance) C4'-P energy: -18.206
bonds (distance) P-C4' energy: -19.471
flat angles C4'-P-C4' energy: -18.963
flat angles P-C4'-P energy: -10.215
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: 5, replica: 4
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -204.154433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.154433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.154433 (E_RNA)
where:
Base-Base interactions energy: -129.690
where: short stacking energy: -57.627
Base-Backbone interact. energy: -0.886
local terms energy: -73.578218
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -7.875
tors. eta vs tors. theta energy: -22.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -108.999561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.999561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.999561 (E_RNA)
where:
Base-Base interactions energy: -53.036
where: short stacking energy: -35.845
Base-Backbone interact. energy: -0.203
local terms energy: -55.760770
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -10.693
flat angles C4'-P-C4' energy: -17.111
flat angles P-C4'-P energy: -8.431
tors. eta vs tors. theta energy: -7.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -95.408004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.408004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.408004 (E_RNA)
where:
Base-Base interactions energy: -43.179
where: short stacking energy: -29.852
Base-Backbone interact. energy: 1.116
local terms energy: -53.345432
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -14.062
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -7.873
tors. eta vs tors. theta energy: -1.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -90.999175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.999175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.999175 (E_RNA)
where:
Base-Base interactions energy: -33.507
where: short stacking energy: -33.946
Base-Backbone interact. energy: -0.025
local terms energy: -57.466788
where:
bonds (distance) C4'-P energy: -12.431
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -11.827
flat angles P-C4'-P energy: -12.762
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: 9, replica: 9
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -82.517796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.517796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.517796 (E_RNA)
where:
Base-Base interactions energy: -28.026
where: short stacking energy: -24.992
Base-Backbone interact. energy: -0.248
local terms energy: -54.243047
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -17.908
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -9.262
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: 3
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -88.027598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.027598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.027598 (E_RNA)
where:
Base-Base interactions energy: -29.786
where: short stacking energy: -25.806
Base-Backbone interact. energy: -0.270
local terms energy: -57.971413
where:
bonds (distance) C4'-P energy: -10.451
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -4.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -239.892400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.892400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.892400 (E_RNA)
where:
Base-Base interactions energy: -155.194
where: short stacking energy: -70.737
Base-Backbone interact. energy: -0.135
local terms energy: -84.562824
where:
bonds (distance) C4'-P energy: -17.064
bonds (distance) P-C4' energy: -19.467
flat angles C4'-P-C4' energy: -18.775
flat angles P-C4'-P energy: -11.449
tors. eta vs tors. theta energy: -17.808
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: 2, replica: 10
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -238.319656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.319656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.319656 (E_RNA)
where:
Base-Base interactions energy: -154.319
where: short stacking energy: -68.093
Base-Backbone interact. energy: -0.169
local terms energy: -83.831652
where:
bonds (distance) C4'-P energy: -18.372
bonds (distance) P-C4' energy: -16.895
flat angles C4'-P-C4' energy: -16.900
flat angles P-C4'-P energy: -13.199
tors. eta vs tors. theta energy: -18.467
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: 6
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -243.886752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.886752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.886752 (E_RNA)
where:
Base-Base interactions energy: -156.636
where: short stacking energy: -73.520
Base-Backbone interact. energy: -0.643
local terms energy: -86.607646
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -18.324
flat angles C4'-P-C4' energy: -19.371
flat angles P-C4'-P energy: -11.917
tors. eta vs tors. theta energy: -22.205
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: 189
Temperature: 1.050000
Total energy: -232.348732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.348732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.348732 (E_RNA)
where:
Base-Base interactions energy: -149.550
where: short stacking energy: -65.386
Base-Backbone interact. energy: -0.162
local terms energy: -82.636176
where:
bonds (distance) C4'-P energy: -17.526
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -14.428
tors. eta vs tors. theta energy: -17.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -194.752685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.752685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.752685 (E_RNA)
where:
Base-Base interactions energy: -110.506
where: short stacking energy: -54.047
Base-Backbone interact. energy: -0.054
local terms energy: -84.193190
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -19.048
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -13.258
tors. eta vs tors. theta energy: -20.340
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: 8
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -122.169457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.169457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.169457 (E_RNA)
where:
Base-Base interactions energy: -61.283
where: short stacking energy: -42.808
Base-Backbone interact. energy: -0.257
local terms energy: -60.629620
where:
bonds (distance) C4'-P energy: -17.046
bonds (distance) P-C4' energy: -12.307
flat angles C4'-P-C4' energy: -17.195
flat angles P-C4'-P energy: -7.551
tors. eta vs tors. theta energy: -6.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -92.678089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.678089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.678089 (E_RNA)
where:
Base-Base interactions energy: -33.945
where: short stacking energy: -30.796
Base-Backbone interact. energy: -0.890
local terms energy: -57.843196
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -19.214
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -5.789
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: 9
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -89.543388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.543388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.543388 (E_RNA)
where:
Base-Base interactions energy: -31.350
where: short stacking energy: -27.429
Base-Backbone interact. energy: -0.943
local terms energy: -57.250447
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -5.263
tors. eta vs tors. theta energy: -5.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -90.390918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.390918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.390918 (E_RNA)
where:
Base-Base interactions energy: -27.668
where: short stacking energy: -27.668
Base-Backbone interact. energy: -0.077
local terms energy: -62.646101
where:
bonds (distance) C4'-P energy: -17.846
bonds (distance) P-C4' energy: -19.069
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -12.185
tors. eta vs tors. theta energy: -1.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -83.243621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.243621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.243621 (E_RNA)
where:
Base-Base interactions energy: -31.615
where: short stacking energy: -31.615
Base-Backbone interact. energy: -0.044
local terms energy: -51.584675
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -18.217
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -3.359
tors. eta vs tors. theta energy: -0.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -239.585082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.585082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.585082 (E_RNA)
where:
Base-Base interactions energy: -156.207
where: short stacking energy: -65.524
Base-Backbone interact. energy: -0.222
local terms energy: -83.155798
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -18.582
flat angles C4'-P-C4' energy: -18.775
flat angles P-C4'-P energy: -13.306
tors. eta vs tors. theta energy: -18.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -233.626480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.626480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.626480 (E_RNA)
where:
Base-Base interactions energy: -158.014
where: short stacking energy: -73.654
Base-Backbone interact. energy: -0.102
local terms energy: -75.510229
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -16.686
flat angles C4'-P-C4' energy: -17.020
flat angles P-C4'-P energy: -13.172
tors. eta vs tors. theta energy: -14.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -230.099017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.099017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.099017 (E_RNA)
where:
Base-Base interactions energy: -157.861
where: short stacking energy: -76.055
Base-Backbone interact. energy: -0.006
local terms energy: -72.232248
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -13.838
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -7.630
tors. eta vs tors. theta energy: -20.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -230.152105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.152105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.152105 (E_RNA)
where:
Base-Base interactions energy: -154.331
where: short stacking energy: -64.902
Base-Backbone interact. energy: -0.329
local terms energy: -75.492361
where:
bonds (distance) C4'-P energy: -11.670
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -20.888
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -19.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -189.408581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.408581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.408581 (E_RNA)
where:
Base-Base interactions energy: -114.555
where: short stacking energy: -57.337
Base-Backbone interact. energy: -0.069
local terms energy: -74.784002
where:
bonds (distance) C4'-P energy: -16.091
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -18.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -100.040698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.040698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.040698 (E_RNA)
where:
Base-Base interactions energy: -39.976
where: short stacking energy: -39.976
Base-Backbone interact. energy: -0.120
local terms energy: -59.944367
where:
bonds (distance) C4'-P energy: -13.728
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -16.123
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -6.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -85.451189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.451189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.451189 (E_RNA)
where:
Base-Base interactions energy: -28.228
where: short stacking energy: -28.066
Base-Backbone interact. energy: 2.215
local terms energy: -59.437489
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -13.205
flat angles P-C4'-P energy: -14.847
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: 8, replica: 7
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -89.682533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.682533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.682533 (E_RNA)
where:
Base-Base interactions energy: -32.304
where: short stacking energy: -31.578
Base-Backbone interact. energy: -0.378
local terms energy: -57.000450
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -0.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -83.593486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.593486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.593486 (E_RNA)
where:
Base-Base interactions energy: -25.793
where: short stacking energy: -25.750
Base-Backbone interact. energy: -0.380
local terms energy: -57.419991
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -17.427
flat angles P-C4'-P energy: -6.759
tors. eta vs tors. theta energy: -1.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -84.630983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.630983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.630983 (E_RNA)
where:
Base-Base interactions energy: -29.243
where: short stacking energy: -28.442
Base-Backbone interact. energy: -0.518
local terms energy: -54.869754
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -11.987
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: -1.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -241.752520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.752520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.752520 (E_RNA)
where:
Base-Base interactions energy: -158.130
where: short stacking energy: -71.580
Base-Backbone interact. energy: -0.229
local terms energy: -83.393136
where:
bonds (distance) C4'-P energy: -17.403
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -16.408
tors. eta vs tors. theta energy: -16.633
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: 2, replica: 6
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -244.915869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.915869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.915869 (E_RNA)
where:
Base-Base interactions energy: -157.489
where: short stacking energy: -79.043
Base-Backbone interact. energy: -0.122
local terms energy: -87.304887
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -19.458
flat angles P-C4'-P energy: -14.560
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: 3, replica: 10
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -230.395000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.395000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.395000 (E_RNA)
where:
Base-Base interactions energy: -148.591
where: short stacking energy: -58.739
Base-Backbone interact. energy: -0.059
local terms energy: -81.745077
where:
bonds (distance) C4'-P energy: -17.303
bonds (distance) P-C4' energy: -18.815
flat angles C4'-P-C4' energy: -18.561
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -14.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -228.142839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.142839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.142839 (E_RNA)
where:
Base-Base interactions energy: -142.378
where: short stacking energy: -68.621
Base-Backbone interact. energy: -0.188
local terms energy: -85.576450
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -20.902
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -7.902
tors. eta vs tors. theta energy: -24.381
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: 2
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -192.835282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.835282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.835282 (E_RNA)
where:
Base-Base interactions energy: -110.908
where: short stacking energy: -50.317
Base-Backbone interact. energy: -0.532
local terms energy: -81.395582
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -18.009
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: -20.085
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: 9
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -107.650684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.650684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.650684 (E_RNA)
where:
Base-Base interactions energy: -52.571
where: short stacking energy: -30.286
Base-Backbone interact. energy: -0.038
local terms energy: -55.041022
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -13.416
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -4.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -98.871022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.871022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.871022 (E_RNA)
where:
Base-Base interactions energy: -38.405
where: short stacking energy: -37.583
Base-Backbone interact. energy: -0.204
local terms energy: -60.262122
where:
bonds (distance) C4'-P energy: -18.267
bonds (distance) P-C4' energy: -12.450
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -11.439
tors. eta vs tors. theta energy: -5.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -92.561648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.561648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.561648 (E_RNA)
where:
Base-Base interactions energy: -42.243
where: short stacking energy: -34.092
Base-Backbone interact. energy: -0.172
local terms energy: -50.146339
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: 0.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -86.539315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.539315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.539315 (E_RNA)
where:
Base-Base interactions energy: -28.700
where: short stacking energy: -28.211
Base-Backbone interact. energy: -0.059
local terms energy: -57.779949
where:
bonds (distance) C4'-P energy: -16.657
bonds (distance) P-C4' energy: -15.944
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -10.439
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: 191
Temperature: 1.350000
Total energy: -83.546601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.546601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.546601 (E_RNA)
where:
Base-Base interactions energy: -31.481
where: short stacking energy: -21.374
Base-Backbone interact. energy: 1.341
local terms energy: -53.406278
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -10.769
flat angles P-C4'-P energy: -4.935
tors. eta vs tors. theta energy: -6.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -250.884883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.884883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.884883 (E_RNA)
where:
Base-Base interactions energy: -166.798
where: short stacking energy: -76.509
Base-Backbone interact. energy: -0.010
local terms energy: -84.076820
where:
bonds (distance) C4'-P energy: -14.129
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -17.962
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -22.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -225.771644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.771644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.771644 (E_RNA)
where:
Base-Base interactions energy: -144.184
where: short stacking energy: -65.077
Base-Backbone interact. energy: -0.443
local terms energy: -81.144863
where:
bonds (distance) C4'-P energy: -20.127
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -17.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -245.470540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.470540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.470540 (E_RNA)
where:
Base-Base interactions energy: -160.053
where: short stacking energy: -72.071
Base-Backbone interact. energy: -0.074
local terms energy: -85.343249
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -15.896
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -24.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -215.025803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.025803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.025803 (E_RNA)
where:
Base-Base interactions energy: -143.800
where: short stacking energy: -67.822
Base-Backbone interact. energy: 0.508
local terms energy: -71.732911
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -18.185
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -14.046
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: 192
Temperature: 1.100000
Total energy: -192.540050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.540050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.540050 (E_RNA)
where:
Base-Base interactions energy: -121.175
where: short stacking energy: -67.877
Base-Backbone interact. energy: -0.068
local terms energy: -71.296802
where:
bonds (distance) C4'-P energy: -6.922
bonds (distance) P-C4' energy: -13.223
flat angles C4'-P-C4' energy: -19.064
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: -20.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -113.042364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.042364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.042364 (E_RNA)
where:
Base-Base interactions energy: -50.328
where: short stacking energy: -38.172
Base-Backbone interact. energy: -1.475
local terms energy: -61.238740
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -15.723
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -11.483
tors. eta vs tors. theta energy: -7.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -87.710064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.710064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.710064 (E_RNA)
where:
Base-Base interactions energy: -30.099
where: short stacking energy: -28.163
Base-Backbone interact. energy: -0.128
local terms energy: -57.482529
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -15.134
flat angles C4'-P-C4' energy: -10.329
flat angles P-C4'-P energy: -12.932
tors. eta vs tors. theta energy: -2.998
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: 8, replica: 8
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -90.109901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.109901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.109901 (E_RNA)
where:
Base-Base interactions energy: -38.226
where: short stacking energy: -27.944
Base-Backbone interact. energy: -0.091
local terms energy: -51.793067
where:
bonds (distance) C4'-P energy: -10.656
bonds (distance) P-C4' energy: -11.243
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -8.119
tors. eta vs tors. theta energy: -5.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -92.554175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.554175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.554175 (E_RNA)
where:
Base-Base interactions energy: -40.219
where: short stacking energy: -28.241
Base-Backbone interact. energy: -0.915
local terms energy: -51.420014
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -11.935
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -4.317
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: 192
Temperature: 1.350000
Total energy: -83.474032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.474032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.474032 (E_RNA)
where:
Base-Base interactions energy: -25.150
where: short stacking energy: -26.322
Base-Backbone interact. energy: 0.595
local terms energy: -58.919033
where:
bonds (distance) C4'-P energy: -17.357
bonds (distance) P-C4' energy: -20.448
flat angles C4'-P-C4' energy: -9.181
flat angles P-C4'-P energy: -5.216
tors. eta vs tors. theta energy: -6.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -265.681783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.681783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.681783 (E_RNA)
where:
Base-Base interactions energy: -169.612
where: short stacking energy: -86.680
Base-Backbone interact. energy: -0.026
local terms energy: -96.043319
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -19.710
flat angles P-C4'-P energy: -14.170
tors. eta vs tors. theta energy: -28.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -248.485672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.485672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.485672 (E_RNA)
where:
Base-Base interactions energy: -158.100
where: short stacking energy: -68.220
Base-Backbone interact. energy: -0.276
local terms energy: -90.109832
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -18.331
flat angles P-C4'-P energy: -12.238
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: 3, replica: 1
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -218.572624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.572624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.572624 (E_RNA)
where:
Base-Base interactions energy: -140.712
where: short stacking energy: -62.159
Base-Backbone interact. energy: 0.029
local terms energy: -77.890151
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -18.841
flat angles C4'-P-C4' energy: -18.811
flat angles P-C4'-P energy: -11.620
tors. eta vs tors. theta energy: -14.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -189.506846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.506846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.506846 (E_RNA)
where:
Base-Base interactions energy: -110.342
where: short stacking energy: -60.922
Base-Backbone interact. energy: 0.224
local terms energy: -79.388902
where:
bonds (distance) C4'-P energy: -18.181
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -17.575
flat angles P-C4'-P energy: -11.550
tors. eta vs tors. theta energy: -16.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -219.201727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.201727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.201727 (E_RNA)
where:
Base-Base interactions energy: -139.100
where: short stacking energy: -59.674
Base-Backbone interact. energy: -0.054
local terms energy: -80.047780
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -15.457
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -15.777
tors. eta vs tors. theta energy: -15.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -102.853028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.853028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.853028 (E_RNA)
where:
Base-Base interactions energy: -46.352
where: short stacking energy: -31.103
Base-Backbone interact. energy: 1.135
local terms energy: -57.635755
where:
bonds (distance) C4'-P energy: -17.836
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -5.710
flat angles P-C4'-P energy: -13.429
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: 193
Temperature: 1.200000
Total energy: -123.516967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.516967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.516967 (E_RNA)
where:
Base-Base interactions energy: -65.351
where: short stacking energy: -33.703
Base-Backbone interact. energy: -0.175
local terms energy: -57.990612
where:
bonds (distance) C4'-P energy: -9.591
bonds (distance) P-C4' energy: -11.975
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -9.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -85.028879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.028879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.028879 (E_RNA)
where:
Base-Base interactions energy: -28.958
where: short stacking energy: -28.515
Base-Backbone interact. energy: -0.260
local terms energy: -55.810623
where:
bonds (distance) C4'-P energy: -15.289
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -0.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -87.477061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.477061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.477061 (E_RNA)
where:
Base-Base interactions energy: -24.906
where: short stacking energy: -25.500
Base-Backbone interact. energy: 0.776
local terms energy: -63.347067
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -3.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -80.592957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.592957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.592957 (E_RNA)
where:
Base-Base interactions energy: -21.277
where: short stacking energy: -17.629
Base-Backbone interact. energy: 1.373
local terms energy: -60.688560
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -3.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -257.985257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.985257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.985257 (E_RNA)
where:
Base-Base interactions energy: -163.244
where: short stacking energy: -89.045
Base-Backbone interact. energy: -0.028
local terms energy: -94.714100
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -15.525
flat angles C4'-P-C4' energy: -19.792
flat angles P-C4'-P energy: -14.207
tors. eta vs tors. theta energy: -27.700
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: 2, replica: 4
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -253.206272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.206272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.206272 (E_RNA)
where:
Base-Base interactions energy: -162.070
where: short stacking energy: -71.502
Base-Backbone interact. energy: -0.048
local terms energy: -91.087674
where:
bonds (distance) C4'-P energy: -19.390
bonds (distance) P-C4' energy: -15.422
flat angles C4'-P-C4' energy: -16.820
flat angles P-C4'-P energy: -14.034
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: 1
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -232.416035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.416035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.416035 (E_RNA)
where:
Base-Base interactions energy: -154.467
where: short stacking energy: -78.560
Base-Backbone interact. energy: 0.771
local terms energy: -78.719765
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -19.976
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: -20.207
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: 4, replica: 2
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -199.377209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.377209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.377209 (E_RNA)
where:
Base-Base interactions energy: -118.391
where: short stacking energy: -59.058
Base-Backbone interact. energy: -0.687
local terms energy: -80.299532
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -20.433
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -16.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -211.506384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.506384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.506384 (E_RNA)
where:
Base-Base interactions energy: -146.817
where: short stacking energy: -59.093
Base-Backbone interact. energy: 0.145
local terms energy: -64.833932
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -12.150
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -13.101
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: 7
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -98.047244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.047244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.047244 (E_RNA)
where:
Base-Base interactions energy: -37.337
where: short stacking energy: -34.246
Base-Backbone interact. energy: -0.317
local terms energy: -60.393362
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -16.687
flat angles C4'-P-C4' energy: -11.692
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -7.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -90.121362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.121362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.121362 (E_RNA)
where:
Base-Base interactions energy: -34.741
where: short stacking energy: -34.511
Base-Backbone interact. energy: -0.136
local terms energy: -55.245054
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -12.322
flat angles P-C4'-P energy: -11.450
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: 9
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -101.870917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.870917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.870917 (E_RNA)
where:
Base-Base interactions energy: -40.035
where: short stacking energy: -24.213
Base-Backbone interact. energy: -0.556
local terms energy: -61.279861
where:
bonds (distance) C4'-P energy: -17.991
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -18.134
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: 1.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -93.850096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.850096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.850096 (E_RNA)
where:
Base-Base interactions energy: -38.292
where: short stacking energy: -29.824
Base-Backbone interact. energy: -0.125
local terms energy: -55.432551
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -11.831
flat angles C4'-P-C4' energy: -12.171
flat angles P-C4'-P energy: -6.987
tors. eta vs tors. theta energy: -8.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -80.190423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.190423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.190423 (E_RNA)
where:
Base-Base interactions energy: -34.825
where: short stacking energy: -29.001
Base-Backbone interact. energy: -0.292
local terms energy: -45.073267
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -11.385
flat angles C4'-P-C4' energy: -9.982
flat angles P-C4'-P energy: -6.874
tors. eta vs tors. theta energy: -2.319
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: 6
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -256.015748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.015748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.015748 (E_RNA)
where:
Base-Base interactions energy: -164.677
where: short stacking energy: -79.074
Base-Backbone interact. energy: -1.746
local terms energy: -89.592695
where:
bonds (distance) C4'-P energy: -17.996
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -12.327
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: 2, replica: 1
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -237.968375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.968375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.968375 (E_RNA)
where:
Base-Base interactions energy: -154.506
where: short stacking energy: -73.680
Base-Backbone interact. energy: -0.090
local terms energy: -83.371981
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -18.607
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -12.553
tors. eta vs tors. theta energy: -20.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -246.113007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.113007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.113007 (E_RNA)
where:
Base-Base interactions energy: -156.753
where: short stacking energy: -66.248
Base-Backbone interact. energy: -0.015
local terms energy: -89.345465
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -18.923
flat angles C4'-P-C4' energy: -16.595
flat angles P-C4'-P energy: -12.077
tors. eta vs tors. theta energy: -24.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -220.862099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.862099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.862099 (E_RNA)
where:
Base-Base interactions energy: -138.991
where: short stacking energy: -56.023
Base-Backbone interact. energy: -0.063
local terms energy: -81.808139
where:
bonds (distance) C4'-P energy: -15.872
bonds (distance) P-C4' energy: -19.880
flat angles C4'-P-C4' energy: -17.281
flat angles P-C4'-P energy: -15.024
tors. eta vs tors. theta energy: -13.751
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: 2
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -179.390382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.390382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.390382 (E_RNA)
where:
Base-Base interactions energy: -105.170
where: short stacking energy: -46.901
Base-Backbone interact. energy: -0.231
local terms energy: -73.988773
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -12.300
tors. eta vs tors. theta energy: -15.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -105.037073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.037073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.037073 (E_RNA)
where:
Base-Base interactions energy: -34.336
where: short stacking energy: -34.336
Base-Backbone interact. energy: -0.039
local terms energy: -70.661402
where:
bonds (distance) C4'-P energy: -14.697
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -18.218
flat angles P-C4'-P energy: -10.863
tors. eta vs tors. theta energy: -10.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -99.311434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.311434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.311434 (E_RNA)
where:
Base-Base interactions energy: -34.984
where: short stacking energy: -34.117
Base-Backbone interact. energy: -0.147
local terms energy: -64.180900
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -13.233
tors. eta vs tors. theta energy: -9.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -102.414759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.414759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.414759 (E_RNA)
where:
Base-Base interactions energy: -33.628
where: short stacking energy: -33.628
Base-Backbone interact. energy: -0.074
local terms energy: -68.713438
where:
bonds (distance) C4'-P energy: -16.968
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -11.269
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: 9
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -89.742748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.742748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.742748 (E_RNA)
where:
Base-Base interactions energy: -29.442
where: short stacking energy: -22.771
Base-Backbone interact. energy: -0.113
local terms energy: -60.188376
where:
bonds (distance) C4'-P energy: -16.973
bonds (distance) P-C4' energy: -18.434
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -0.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -88.245918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.245918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.245918 (E_RNA)
where:
Base-Base interactions energy: -33.243
where: short stacking energy: -30.673
Base-Backbone interact. energy: -0.166
local terms energy: -54.836975
where:
bonds (distance) C4'-P energy: -13.268
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -11.531
flat angles P-C4'-P energy: -5.633
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: 1, replica: 6
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -264.182692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.182692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.182692 (E_RNA)
where:
Base-Base interactions energy: -169.514
where: short stacking energy: -79.180
Base-Backbone interact. energy: -0.769
local terms energy: -93.899678
where:
bonds (distance) C4'-P energy: -18.959
bonds (distance) P-C4' energy: -18.798
flat angles C4'-P-C4' energy: -19.008
flat angles P-C4'-P energy: -11.518
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: 1
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -236.105487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.105487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.105487 (E_RNA)
where:
Base-Base interactions energy: -156.217
where: short stacking energy: -69.396
Base-Backbone interact. energy: -0.142
local terms energy: -79.746360
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -17.569
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -17.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -244.758356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.758356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.758356 (E_RNA)
where:
Base-Base interactions energy: -159.032
where: short stacking energy: -70.829
Base-Backbone interact. energy: -0.008
local terms energy: -85.718774
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -19.644
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -12.816
tors. eta vs tors. theta energy: -23.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -220.233887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.233887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.233887 (E_RNA)
where:
Base-Base interactions energy: -137.817
where: short stacking energy: -56.991
Base-Backbone interact. energy: -0.367
local terms energy: -82.049888
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -19.221
flat angles C4'-P-C4' energy: -16.929
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -17.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -194.009967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.009967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.009967 (E_RNA)
where:
Base-Base interactions energy: -119.876
where: short stacking energy: -59.133
Base-Backbone interact. energy: -0.471
local terms energy: -73.663191
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -15.817
flat angles C4'-P-C4' energy: -17.180
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -16.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -102.597992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.597992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.597992 (E_RNA)
where:
Base-Base interactions energy: -39.740
where: short stacking energy: -32.502
Base-Backbone interact. energy: -0.689
local terms energy: -62.169110
where:
bonds (distance) C4'-P energy: -17.948
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -6.547
tors. eta vs tors. theta energy: -7.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -84.943325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.943325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.943325 (E_RNA)
where:
Base-Base interactions energy: -38.530
where: short stacking energy: -22.847
Base-Backbone interact. energy: -0.229
local terms energy: -46.184030
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -6.615
tors. eta vs tors. theta energy: 5.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -89.092526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.092526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.092526 (E_RNA)
where:
Base-Base interactions energy: -30.428
where: short stacking energy: -19.442
Base-Backbone interact. energy: -0.903
local terms energy: -57.761667
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -11.001
flat angles P-C4'-P energy: -16.318
tors. eta vs tors. theta energy: 2.144
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: 196
Temperature: 1.300000
Total energy: -80.369507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.369507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.369507 (E_RNA)
where:
Base-Base interactions energy: -24.082
where: short stacking energy: -23.944
Base-Backbone interact. energy: -0.302
local terms energy: -55.985958
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -17.093
flat angles C4'-P-C4' energy: -16.579
flat angles P-C4'-P energy: -7.305
tors. eta vs tors. theta energy: 1.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -77.850335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.850335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.850335 (E_RNA)
where:
Base-Base interactions energy: -26.830
where: short stacking energy: -23.736
Base-Backbone interact. energy: -2.772
local terms energy: -48.247561
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -17.859
flat angles C4'-P-C4' energy: -5.796
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: 0.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -253.851921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.851921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.851921 (E_RNA)
where:
Base-Base interactions energy: -166.925
where: short stacking energy: -80.768
Base-Backbone interact. energy: 0.827
local terms energy: -87.753146
where:
bonds (distance) C4'-P energy: -10.493
bonds (distance) P-C4' energy: -21.060
flat angles C4'-P-C4' energy: -18.176
flat angles P-C4'-P energy: -14.243
tors. eta vs tors. theta energy: -23.780
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: 4
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -246.918877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.918877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.918877 (E_RNA)
where:
Base-Base interactions energy: -152.340
where: short stacking energy: -71.609
Base-Backbone interact. energy: -0.048
local terms energy: -94.531267
where:
bonds (distance) C4'-P energy: -17.179
bonds (distance) P-C4' energy: -18.407
flat angles C4'-P-C4' energy: -19.062
flat angles P-C4'-P energy: -13.620
tors. eta vs tors. theta energy: -26.263
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: 1
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -222.639177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.639177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.639177 (E_RNA)
where:
Base-Base interactions energy: -142.852
where: short stacking energy: -64.754
Base-Backbone interact. energy: -0.133
local terms energy: -79.653591
where:
bonds (distance) C4'-P energy: -18.409
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: -16.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -221.569295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.569295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.569295 (E_RNA)
where:
Base-Base interactions energy: -150.957
where: short stacking energy: -65.014
Base-Backbone interact. energy: 0.187
local terms energy: -70.799051
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -13.757
flat angles C4'-P-C4' energy: -16.566
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -17.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -183.935930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.935930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.935930 (E_RNA)
where:
Base-Base interactions energy: -107.851
where: short stacking energy: -42.725
Base-Backbone interact. energy: -0.030
local terms energy: -76.055717
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -12.003
tors. eta vs tors. theta energy: -14.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -100.623266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.623266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.623266 (E_RNA)
where:
Base-Base interactions energy: -41.003
where: short stacking energy: -24.692
Base-Backbone interact. energy: 0.101
local terms energy: -59.721331
where:
bonds (distance) C4'-P energy: -16.704
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -18.038
flat angles P-C4'-P energy: -6.522
tors. eta vs tors. theta energy: -3.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -111.648622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.648622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.648622 (E_RNA)
where:
Base-Base interactions energy: -55.418
where: short stacking energy: -45.175
Base-Backbone interact. energy: 2.656
local terms energy: -58.886172
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -14.544
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -7.885
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: 3
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -88.364855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.364855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.364855 (E_RNA)
where:
Base-Base interactions energy: -30.884
where: short stacking energy: -26.477
Base-Backbone interact. energy: -0.122
local terms energy: -57.359279
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -17.030
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: -4.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -97.469157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.469157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.469157 (E_RNA)
where:
Base-Base interactions energy: -39.177
where: short stacking energy: -23.866
Base-Backbone interact. energy: -0.937
local terms energy: -57.354749
where:
bonds (distance) C4'-P energy: -14.601
bonds (distance) P-C4' energy: -19.947
flat angles C4'-P-C4' energy: -15.131
flat angles P-C4'-P energy: -7.041
tors. eta vs tors. theta energy: -0.634
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: 9
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -86.933396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.933396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.933396 (E_RNA)
where:
Base-Base interactions energy: -32.053
where: short stacking energy: -32.053
Base-Backbone interact. energy: -0.143
local terms energy: -54.737517
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -13.537
flat angles C4'-P-C4' energy: -10.387
flat angles P-C4'-P energy: -10.602
tors. eta vs tors. theta energy: -4.435
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: 4
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -243.199989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.199989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.199989 (E_RNA)
where:
Base-Base interactions energy: -163.739
where: short stacking energy: -74.839
Base-Backbone interact. energy: -0.193
local terms energy: -79.268577
where:
bonds (distance) C4'-P energy: -13.393
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -18.707
flat angles P-C4'-P energy: -7.116
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: 2, replica: 6
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -241.958109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.958109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.958109 (E_RNA)
where:
Base-Base interactions energy: -160.734
where: short stacking energy: -73.405
Base-Backbone interact. energy: -0.642
local terms energy: -80.582059
where:
bonds (distance) C4'-P energy: -19.037
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -11.937
flat angles P-C4'-P energy: -11.594
tors. eta vs tors. theta energy: -22.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -227.303640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.303640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.303640 (E_RNA)
where:
Base-Base interactions energy: -144.841
where: short stacking energy: -72.418
Base-Backbone interact. energy: -0.104
local terms energy: -82.359466
where:
bonds (distance) C4'-P energy: -15.716
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -19.743
flat angles P-C4'-P energy: -9.409
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: 4, replica: 1
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -219.768654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.768654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.768654 (E_RNA)
where:
Base-Base interactions energy: -139.117
where: short stacking energy: -58.107
Base-Backbone interact. energy: -0.042
local terms energy: -80.609490
where:
bonds (distance) C4'-P energy: -16.717
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -18.168
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -18.514
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: 2
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -190.681634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.681634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.681634 (E_RNA)
where:
Base-Base interactions energy: -113.844
where: short stacking energy: -51.979
Base-Backbone interact. energy: -0.838
local terms energy: -75.999620
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -19.083
flat angles C4'-P-C4' energy: -19.730
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -13.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -101.889205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.889205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.889205 (E_RNA)
where:
Base-Base interactions energy: -44.281
where: short stacking energy: -25.308
Base-Backbone interact. energy: -0.350
local terms energy: -57.257982
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -19.171
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -1.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -102.650943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.650943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.650943 (E_RNA)
where:
Base-Base interactions energy: -50.044
where: short stacking energy: -28.351
Base-Backbone interact. energy: -0.259
local terms energy: -52.347392
where:
bonds (distance) C4'-P energy: -9.259
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -15.575
tors. eta vs tors. theta energy: 0.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -90.384847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.384847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.384847 (E_RNA)
where:
Base-Base interactions energy: -32.900
where: short stacking energy: -26.379
Base-Backbone interact. energy: -0.286
local terms energy: -57.198467
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -18.993
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -1.079
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: 9
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -80.803030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.803030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.803030 (E_RNA)
where:
Base-Base interactions energy: -25.404
where: short stacking energy: -24.456
Base-Backbone interact. energy: -0.169
local terms energy: -55.229594
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -18.448
flat angles C4'-P-C4' energy: -12.689
flat angles P-C4'-P energy: -5.932
tors. eta vs tors. theta energy: -3.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -81.975954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.975954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.975954 (E_RNA)
where:
Base-Base interactions energy: -23.020
where: short stacking energy: -22.922
Base-Backbone interact. energy: 1.465
local terms energy: -60.420336
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -17.010
flat angles P-C4'-P energy: -13.199
tors. eta vs tors. theta energy: -1.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -251.586984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.586984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.586984 (E_RNA)
where:
Base-Base interactions energy: -159.692
where: short stacking energy: -69.418
Base-Backbone interact. energy: -0.059
local terms energy: -91.835920
where:
bonds (distance) C4'-P energy: -18.785
bonds (distance) P-C4' energy: -18.795
flat angles C4'-P-C4' energy: -17.444
flat angles P-C4'-P energy: -12.692
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: 10
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -238.119310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.119310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.119310 (E_RNA)
where:
Base-Base interactions energy: -154.614
where: short stacking energy: -68.122
Base-Backbone interact. energy: -0.304
local terms energy: -83.201276
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -18.163
flat angles C4'-P-C4' energy: -16.762
flat angles P-C4'-P energy: -13.676
tors. eta vs tors. theta energy: -19.219
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: 3, replica: 6
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -241.223447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.223447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.223447 (E_RNA)
where:
Base-Base interactions energy: -164.150
where: short stacking energy: -65.303
Base-Backbone interact. energy: -0.484
local terms energy: -76.588890
where:
bonds (distance) C4'-P energy: -13.803
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -16.962
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -21.506
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: 199
Temperature: 1.050000
Total energy: -232.614932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.614932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.614932 (E_RNA)
where:
Base-Base interactions energy: -152.559
where: short stacking energy: -71.857
Base-Backbone interact. energy: -0.146
local terms energy: -79.910326
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -20.594
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -19.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -177.265544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.265544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.265544 (E_RNA)
where:
Base-Base interactions energy: -103.988
where: short stacking energy: -45.139
Base-Backbone interact. energy: -0.085
local terms energy: -73.192638
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -18.166
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -14.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -114.108728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.108728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.108728 (E_RNA)
where:
Base-Base interactions energy: -45.083
where: short stacking energy: -45.083
Base-Backbone interact. energy: -0.135
local terms energy: -68.890970
where:
bonds (distance) C4'-P energy: -16.713
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -11.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -115.770384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.770384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.770384 (E_RNA)
where:
Base-Base interactions energy: -59.474
where: short stacking energy: -41.524
Base-Backbone interact. energy: -0.352
local terms energy: -55.944919
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -12.007
flat angles P-C4'-P energy: -10.643
tors. eta vs tors. theta energy: -7.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -131.614980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.614980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.614980 (E_RNA)
where:
Base-Base interactions energy: -72.956
where: short stacking energy: -32.475
Base-Backbone interact. energy: -0.269
local terms energy: -58.390809
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -19.911
flat angles C4'-P-C4' energy: -9.875
flat angles P-C4'-P energy: -9.491
tors. eta vs tors. theta energy: -4.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -83.609464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.609464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.609464 (E_RNA)
where:
Base-Base interactions energy: -28.603
where: short stacking energy: -29.103
Base-Backbone interact. energy: -0.118
local terms energy: -54.889020
where:
bonds (distance) C4'-P energy: -11.007
bonds (distance) P-C4' energy: -19.458
flat angles C4'-P-C4' energy: -12.817
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -3.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -82.621523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.621523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.621523 (E_RNA)
where:
Base-Base interactions energy: -29.914
where: short stacking energy: -26.731
Base-Backbone interact. energy: 0.654
local terms energy: -53.361768
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -11.242
flat angles C4'-P-C4' energy: -12.050
flat angles P-C4'-P energy: -6.412
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: 1, replica: 10
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -244.147696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.147696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.147696 (E_RNA)
where:
Base-Base interactions energy: -157.114
where: short stacking energy: -68.493
Base-Backbone interact. energy: -0.248
local terms energy: -86.785891
where:
bonds (distance) C4'-P energy: -17.609
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -17.971
flat angles P-C4'-P energy: -14.377
tors. eta vs tors. theta energy: -21.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -241.890499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.890499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.890499 (E_RNA)
where:
Base-Base interactions energy: -156.854
where: short stacking energy: -66.549
Base-Backbone interact. energy: 0.594
local terms energy: -85.631027
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -19.869
flat angles P-C4'-P energy: -9.135
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: 1
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -227.960952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.960952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.960952 (E_RNA)
where:
Base-Base interactions energy: -150.265
where: short stacking energy: -74.572
Base-Backbone interact. energy: -0.171
local terms energy: -77.525748
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -16.254
flat angles C4'-P-C4' energy: -20.453
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -15.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -227.013958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.013958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.013958 (E_RNA)
where:
Base-Base interactions energy: -146.036
where: short stacking energy: -68.190
Base-Backbone interact. energy: -0.242
local terms energy: -80.735445
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -18.321
flat angles P-C4'-P energy: -13.116
tors. eta vs tors. theta energy: -21.271
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: 200
Temperature: 1.100000
Total energy: -183.369044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.369044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.369044 (E_RNA)
where:
Base-Base interactions energy: -105.080
where: short stacking energy: -52.812
Base-Backbone interact. energy: -0.126
local terms energy: -78.162808
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -17.899
flat angles C4'-P-C4' energy: -18.504
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: -18.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -102.949811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.949811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.949811 (E_RNA)
where:
Base-Base interactions energy: -43.650
where: short stacking energy: -41.195
Base-Backbone interact. energy: -0.113
local terms energy: -59.186458
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -7.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -155.020741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.020741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.020741 (E_RNA)
where:
Base-Base interactions energy: -88.349
where: short stacking energy: -46.388
Base-Backbone interact. energy: -0.136
local terms energy: -66.536066
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -9.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -86.620606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.620606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.620606 (E_RNA)
where:
Base-Base interactions energy: -29.658
where: short stacking energy: -29.658
Base-Backbone interact. energy: -0.148
local terms energy: -56.815001
where:
bonds (distance) C4'-P energy: -16.931
bonds (distance) P-C4' energy: -12.258
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -8.780
tors. eta vs tors. theta energy: -3.670
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: 9, replica: 8
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -82.391719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.391719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.391719 (E_RNA)
where:
Base-Base interactions energy: -31.924
where: short stacking energy: -17.452
Base-Backbone interact. energy: -0.315
local terms energy: -50.152881
where:
bonds (distance) C4'-P energy: -11.798
bonds (distance) P-C4' energy: -16.895
flat angles C4'-P-C4' energy: -11.798
flat angles P-C4'-P energy: -6.495
tors. eta vs tors. theta energy: -3.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -83.796612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.796612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.796612 (E_RNA)
where:
Base-Base interactions energy: -37.529
where: short stacking energy: -34.633
Base-Backbone interact. energy: -0.302
local terms energy: -45.966170
where:
bonds (distance) C4'-P energy: -9.831
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -9.966
flat angles P-C4'-P energy: -9.278
tors. eta vs tors. theta energy: -2.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -250.661304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.661304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.661304 (E_RNA)
where:
Base-Base interactions energy: -162.054
where: short stacking energy: -74.263
Base-Backbone interact. energy: -0.124
local terms energy: -88.482865
where:
bonds (distance) C4'-P energy: -17.422
bonds (distance) P-C4' energy: -18.114
flat angles C4'-P-C4' energy: -20.145
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -21.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -246.950217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.950217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.950217 (E_RNA)
where:
Base-Base interactions energy: -157.889
where: short stacking energy: -75.716
Base-Backbone interact. energy: -0.023
local terms energy: -89.038770
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -19.203
flat angles C4'-P-C4' energy: -17.772
flat angles P-C4'-P energy: -13.515
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: 3, replica: 1
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -235.122940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.122940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.122940 (E_RNA)
where:
Base-Base interactions energy: -149.224
where: short stacking energy: -68.704
Base-Backbone interact. energy: -0.107
local terms energy: -85.791091
where:
bonds (distance) C4'-P energy: -14.375
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -19.987
flat angles P-C4'-P energy: -15.696
tors. eta vs tors. theta energy: -18.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -242.626418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.626418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.626418 (E_RNA)
where:
Base-Base interactions energy: -158.802
where: short stacking energy: -77.515
Base-Backbone interact. energy: -0.498
local terms energy: -83.326822
where:
bonds (distance) C4'-P energy: -10.654
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -17.835
flat angles P-C4'-P energy: -13.347
tors. eta vs tors. theta energy: -22.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -187.407240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.407240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.407240 (E_RNA)
where:
Base-Base interactions energy: -118.106
where: short stacking energy: -55.572
Base-Backbone interact. energy: -0.352
local terms energy: -68.949354
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -16.877
flat angles P-C4'-P energy: -2.935
tors. eta vs tors. theta energy: -17.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -172.190326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.190326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.190326 (E_RNA)
where:
Base-Base interactions energy: -96.148
where: short stacking energy: -51.995
Base-Backbone interact. energy: -0.189
local terms energy: -75.853580
where:
bonds (distance) C4'-P energy: -17.174
bonds (distance) P-C4' energy: -14.974
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -9.404
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: 7
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -95.219492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.219492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.219492 (E_RNA)
where:
Base-Base interactions energy: -35.396
where: short stacking energy: -26.317
Base-Backbone interact. energy: -0.273
local terms energy: -59.551142
where:
bonds (distance) C4'-P energy: -18.223
bonds (distance) P-C4' energy: -18.539
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: 2.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -96.894805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.894805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.894805 (E_RNA)
where:
Base-Base interactions energy: -33.353
where: short stacking energy: -33.327
Base-Backbone interact. energy: 1.928
local terms energy: -65.470154
where:
bonds (distance) C4'-P energy: -17.069
bonds (distance) P-C4' energy: -18.364
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -13.479
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: 201
Temperature: 1.300000
Total energy: -86.189993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.189993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.189993 (E_RNA)
where:
Base-Base interactions energy: -28.409
where: short stacking energy: -28.409
Base-Backbone interact. energy: -0.081
local terms energy: -57.699514
where:
bonds (distance) C4'-P energy: -19.141
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -12.125
flat angles P-C4'-P energy: -4.967
tors. eta vs tors. theta energy: -7.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -79.999879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.999879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.999879 (E_RNA)
where:
Base-Base interactions energy: -26.243
where: short stacking energy: -20.794
Base-Backbone interact. energy: -0.587
local terms energy: -53.170168
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -9.239
flat angles P-C4'-P energy: -11.614
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: 1, replica: 10
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -238.158080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.158080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.158080 (E_RNA)
where:
Base-Base interactions energy: -155.367
where: short stacking energy: -75.378
Base-Backbone interact. energy: 0.484
local terms energy: -83.274922
where:
bonds (distance) C4'-P energy: -17.440
bonds (distance) P-C4' energy: -18.689
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -14.016
tors. eta vs tors. theta energy: -20.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -248.795198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.795198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.795198 (E_RNA)
where:
Base-Base interactions energy: -165.085
where: short stacking energy: -67.780
Base-Backbone interact. energy: -0.566
local terms energy: -83.144085
where:
bonds (distance) C4'-P energy: -19.013
bonds (distance) P-C4' energy: -17.501
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -11.513
tors. eta vs tors. theta energy: -18.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -243.253845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.253845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.253845 (E_RNA)
where:
Base-Base interactions energy: -159.696
where: short stacking energy: -73.132
Base-Backbone interact. energy: -0.399
local terms energy: -83.158803
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -16.553
flat angles C4'-P-C4' energy: -18.687
flat angles P-C4'-P energy: -12.139
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: 4, replica: 1
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -215.009622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.009622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.009622 (E_RNA)
where:
Base-Base interactions energy: -139.739
where: short stacking energy: -51.852
Base-Backbone interact. energy: 0.577
local terms energy: -75.847402
where:
bonds (distance) C4'-P energy: -17.665
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -14.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -204.997487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.997487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.997487 (E_RNA)
where:
Base-Base interactions energy: -132.539
where: short stacking energy: -61.155
Base-Backbone interact. energy: -0.068
local terms energy: -72.390068
where:
bonds (distance) C4'-P energy: -17.290
bonds (distance) P-C4' energy: -13.118
flat angles C4'-P-C4' energy: -17.750
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: -12.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -185.134508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.134508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.134508 (E_RNA)
where:
Base-Base interactions energy: -117.365
where: short stacking energy: -53.929
Base-Backbone interact. energy: -0.084
local terms energy: -67.685201
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -14.391
flat angles C4'-P-C4' energy: -12.753
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -17.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -90.142447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.142447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.142447 (E_RNA)
where:
Base-Base interactions energy: -32.113
where: short stacking energy: -24.853
Base-Backbone interact. energy: -1.354
local terms energy: -56.676172
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -19.089
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -6.283
tors. eta vs tors. theta energy: -1.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -89.040109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.040109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.040109 (E_RNA)
where:
Base-Base interactions energy: -31.286
where: short stacking energy: -31.218
Base-Backbone interact. energy: -0.161
local terms energy: -57.592273
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -19.204
flat angles C4'-P-C4' energy: -13.649
flat angles P-C4'-P energy: -9.132
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: 9, replica: 3
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -80.547807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.547807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.547807 (E_RNA)
where:
Base-Base interactions energy: -31.603
where: short stacking energy: -17.306
Base-Backbone interact. energy: -0.218
local terms energy: -48.726806
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -16.859
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -3.329
tors. eta vs tors. theta energy: -3.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -95.277364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.277364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.277364 (E_RNA)
where:
Base-Base interactions energy: -43.158
where: short stacking energy: -27.885
Base-Backbone interact. energy: 0.170
local terms energy: -52.288805
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -15.816
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -2.454
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: 10
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -247.001489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.001489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.001489 (E_RNA)
where:
Base-Base interactions energy: -157.534
where: short stacking energy: -76.477
Base-Backbone interact. energy: -0.178
local terms energy: -89.289228
where:
bonds (distance) C4'-P energy: -17.941
bonds (distance) P-C4' energy: -14.597
flat angles C4'-P-C4' energy: -19.441
flat angles P-C4'-P energy: -15.259
tors. eta vs tors. theta energy: -22.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -248.344246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.344246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.344246 (E_RNA)
where:
Base-Base interactions energy: -164.761
where: short stacking energy: -68.616
Base-Backbone interact. energy: 0.633
local terms energy: -84.216245
where:
bonds (distance) C4'-P energy: -15.164
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -14.668
tors. eta vs tors. theta energy: -21.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -231.091393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.091393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.091393 (E_RNA)
where:
Base-Base interactions energy: -152.230
where: short stacking energy: -70.946
Base-Backbone interact. energy: 1.026
local terms energy: -79.887056
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -17.454
flat angles C4'-P-C4' energy: -17.383
flat angles P-C4'-P energy: -7.893
tors. eta vs tors. theta energy: -22.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -233.842226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.842226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.842226 (E_RNA)
where:
Base-Base interactions energy: -153.567
where: short stacking energy: -60.013
Base-Backbone interact. energy: -0.912
local terms energy: -79.364043
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -11.298
flat angles C4'-P-C4' energy: -20.929
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -21.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -225.965857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.965857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.965857 (E_RNA)
where:
Base-Base interactions energy: -153.587
where: short stacking energy: -66.098
Base-Backbone interact. energy: -0.128
local terms energy: -72.250394
where:
bonds (distance) C4'-P energy: -7.186
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -18.890
flat angles P-C4'-P energy: -13.893
tors. eta vs tors. theta energy: -15.932
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: 2
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -179.972555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.972555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.972555 (E_RNA)
where:
Base-Base interactions energy: -104.383
where: short stacking energy: -48.361
Base-Backbone interact. energy: -0.424
local terms energy: -75.165959
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -18.928
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -14.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -108.758772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.758772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.758772 (E_RNA)
where:
Base-Base interactions energy: -42.022
where: short stacking energy: -36.109
Base-Backbone interact. energy: -0.343
local terms energy: -66.393915
where:
bonds (distance) C4'-P energy: -19.690
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -8.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -85.609309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.609309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.609309 (E_RNA)
where:
Base-Base interactions energy: -39.448
where: short stacking energy: -33.308
Base-Backbone interact. energy: 0.403
local terms energy: -46.564375
where:
bonds (distance) C4'-P energy: -12.758
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: 1.183
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: 9, replica: 7
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -96.381842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.381842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.381842 (E_RNA)
where:
Base-Base interactions energy: -40.290
where: short stacking energy: -20.603
Base-Backbone interact. energy: -0.154
local terms energy: -55.937977
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -17.564
flat angles P-C4'-P energy: -4.494
tors. eta vs tors. theta energy: -2.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -82.341336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.341336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.341336 (E_RNA)
where:
Base-Base interactions energy: -28.280
where: short stacking energy: -22.728
Base-Backbone interact. energy: 1.068
local terms energy: -55.128483
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -18.850
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: 2.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -255.810481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.810481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.810481 (E_RNA)
where:
Base-Base interactions energy: -174.645
where: short stacking energy: -78.260
Base-Backbone interact. energy: -0.061
local terms energy: -81.104182
where:
bonds (distance) C4'-P energy: -11.380
bonds (distance) P-C4' energy: -18.513
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -12.870
tors. eta vs tors. theta energy: -21.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -233.368942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.368942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.368942 (E_RNA)
where:
Base-Base interactions energy: -150.990
where: short stacking energy: -62.568
Base-Backbone interact. energy: -0.120
local terms energy: -82.258954
where:
bonds (distance) C4'-P energy: -18.338
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -19.653
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -18.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -242.981854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.981854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.981854 (E_RNA)
where:
Base-Base interactions energy: -157.963
where: short stacking energy: -73.275
Base-Backbone interact. energy: -0.214
local terms energy: -84.805341
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -16.962
flat angles C4'-P-C4' energy: -17.213
flat angles P-C4'-P energy: -12.420
tors. eta vs tors. theta energy: -22.233
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: 4
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -225.531997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.531997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.531997 (E_RNA)
where:
Base-Base interactions energy: -142.232
where: short stacking energy: -59.927
Base-Backbone interact. energy: -0.220
local terms energy: -83.080049
where:
bonds (distance) C4'-P energy: -17.501
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -18.867
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -18.066
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: 1
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -220.732146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.732146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.732146 (E_RNA)
where:
Base-Base interactions energy: -147.395
where: short stacking energy: -71.830
Base-Backbone interact. energy: -0.163
local terms energy: -73.174581
where:
bonds (distance) C4'-P energy: -11.638
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -16.271
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -18.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -169.386992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.386992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.386992 (E_RNA)
where:
Base-Base interactions energy: -103.207
where: short stacking energy: -43.093
Base-Backbone interact. energy: -0.110
local terms energy: -66.069802
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -10.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -102.514643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.514643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.514643 (E_RNA)
where:
Base-Base interactions energy: -41.885
where: short stacking energy: -29.919
Base-Backbone interact. energy: -0.216
local terms energy: -60.414180
where:
bonds (distance) C4'-P energy: -10.964
bonds (distance) P-C4' energy: -17.166
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -12.039
tors. eta vs tors. theta energy: -7.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -91.907526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.907526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.907526 (E_RNA)
where:
Base-Base interactions energy: -35.648
where: short stacking energy: -27.462
Base-Backbone interact. energy: 0.011
local terms energy: -56.270620
where:
bonds (distance) C4'-P energy: -15.636
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -4.233
tors. eta vs tors. theta energy: -5.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -94.895964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.895964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.895964 (E_RNA)
where:
Base-Base interactions energy: -37.388
where: short stacking energy: -28.234
Base-Backbone interact. energy: -0.064
local terms energy: -57.443765
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -7.221
tors. eta vs tors. theta energy: -2.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -80.609641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.609641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.609641 (E_RNA)
where:
Base-Base interactions energy: -28.254
where: short stacking energy: -28.254
Base-Backbone interact. energy: -0.436
local terms energy: -51.919272
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -17.616
flat angles P-C4'-P energy: -4.162
tors. eta vs tors. theta energy: -3.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -255.702368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.702368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.702368 (E_RNA)
where:
Base-Base interactions energy: -169.756
where: short stacking energy: -81.154
Base-Backbone interact. energy: -0.155
local terms energy: -85.791755
where:
bonds (distance) C4'-P energy: -17.377
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -15.776
tors. eta vs tors. theta energy: -22.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -243.226018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.226018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.226018 (E_RNA)
where:
Base-Base interactions energy: -164.546
where: short stacking energy: -81.667
Base-Backbone interact. energy: -0.174
local terms energy: -78.505442
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -17.475
flat angles C4'-P-C4' energy: -11.578
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -23.450
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: 10
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -218.513939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.513939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.513939 (E_RNA)
where:
Base-Base interactions energy: -143.003
where: short stacking energy: -53.976
Base-Backbone interact. energy: -0.850
local terms energy: -74.661627
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -14.572
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -16.962
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: 1
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -229.033270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.033270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.033270 (E_RNA)
where:
Base-Base interactions energy: -154.232
where: short stacking energy: -68.108
Base-Backbone interact. energy: -0.359
local terms energy: -74.442962
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -16.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -223.948899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.948899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.948899 (E_RNA)
where:
Base-Base interactions energy: -149.431
where: short stacking energy: -68.084
Base-Backbone interact. energy: -0.203
local terms energy: -74.315633
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -20.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -100.234547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.234547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.234547 (E_RNA)
where:
Base-Base interactions energy: -34.494
where: short stacking energy: -34.494
Base-Backbone interact. energy: -0.687
local terms energy: -65.053144
where:
bonds (distance) C4'-P energy: -17.046
bonds (distance) P-C4' energy: -18.544
flat angles C4'-P-C4' energy: -11.377
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -8.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -154.869481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.869481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.869481 (E_RNA)
where:
Base-Base interactions energy: -84.208
where: short stacking energy: -48.792
Base-Backbone interact. energy: -0.140
local terms energy: -70.520890
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -17.277
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -14.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -86.625944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.625944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.625944 (E_RNA)
where:
Base-Base interactions energy: -33.966
where: short stacking energy: -33.178
Base-Backbone interact. energy: -0.286
local terms energy: -52.374454
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -8.185
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -3.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -87.222908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.222908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.222908 (E_RNA)
where:
Base-Base interactions energy: -20.108
where: short stacking energy: -17.760
Base-Backbone interact. energy: -0.366
local terms energy: -66.748429
where:
bonds (distance) C4'-P energy: -17.270
bonds (distance) P-C4' energy: -17.625
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -4.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -74.074533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.074533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.074533 (E_RNA)
where:
Base-Base interactions energy: -23.227
where: short stacking energy: -16.988
Base-Backbone interact. energy: -0.414
local terms energy: -50.433250
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -7.271
tors. eta vs tors. theta energy: 2.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -255.175451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.175451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.175451 (E_RNA)
where:
Base-Base interactions energy: -166.313
where: short stacking energy: -82.396
Base-Backbone interact. energy: -0.003
local terms energy: -88.859355
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -16.319
flat angles P-C4'-P energy: -15.869
tors. eta vs tors. theta energy: -22.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -252.738784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.738784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.738784 (E_RNA)
where:
Base-Base interactions energy: -164.319
where: short stacking energy: -71.744
Base-Backbone interact. energy: -0.294
local terms energy: -88.124986
where:
bonds (distance) C4'-P energy: -18.525
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -14.498
tors. eta vs tors. theta energy: -22.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -230.930299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.930299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.930299 (E_RNA)
where:
Base-Base interactions energy: -148.099
where: short stacking energy: -70.930
Base-Backbone interact. energy: -0.182
local terms energy: -82.649262
where:
bonds (distance) C4'-P energy: -18.024
bonds (distance) P-C4' energy: -17.146
flat angles C4'-P-C4' energy: -17.601
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -19.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -227.027569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.027569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.027569 (E_RNA)
where:
Base-Base interactions energy: -148.505
where: short stacking energy: -67.209
Base-Backbone interact. energy: -0.169
local terms energy: -78.353585
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -19.001
flat angles P-C4'-P energy: -11.580
tors. eta vs tors. theta energy: -13.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -214.694695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.694695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.694695 (E_RNA)
where:
Base-Base interactions energy: -141.300
where: short stacking energy: -61.988
Base-Backbone interact. energy: -0.166
local terms energy: -73.229420
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -11.310
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -19.661
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: 3
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -102.499759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.499759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.499759 (E_RNA)
where:
Base-Base interactions energy: -40.318
where: short stacking energy: -40.318
Base-Backbone interact. energy: -0.013
local terms energy: -62.168362
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -11.984
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: 7, replica: 5
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -111.737847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.737847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.737847 (E_RNA)
where:
Base-Base interactions energy: -60.092
where: short stacking energy: -33.543
Base-Backbone interact. energy: -0.042
local terms energy: -51.604261
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -18.550
flat angles C4'-P-C4' energy: -9.934
flat angles P-C4'-P energy: -6.213
tors. eta vs tors. theta energy: -4.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -87.717030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.717030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.717030 (E_RNA)
where:
Base-Base interactions energy: -38.266
where: short stacking energy: -25.428
Base-Backbone interact. energy: 0.013
local terms energy: -49.463510
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -17.120
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -3.630
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: 206
Temperature: 1.300000
Total energy: -78.609242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.609242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.609242 (E_RNA)
where:
Base-Base interactions energy: -27.317
where: short stacking energy: -22.273
Base-Backbone interact. energy: -0.227
local terms energy: -51.065243
where:
bonds (distance) C4'-P energy: -18.545
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -2.830
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: 7
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -119.623091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.623091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.623091 (E_RNA)
where:
Base-Base interactions energy: -49.794
where: short stacking energy: -47.270
Base-Backbone interact. energy: -0.218
local terms energy: -69.611676
where:
bonds (distance) C4'-P energy: -18.032
bonds (distance) P-C4' energy: -15.915
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -10.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -251.260479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.260479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.260479 (E_RNA)
where:
Base-Base interactions energy: -167.505
where: short stacking energy: -77.795
Base-Backbone interact. energy: -0.828
local terms energy: -82.927161
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -17.614
flat angles C4'-P-C4' energy: -19.471
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -20.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -233.961942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.961942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.961942 (E_RNA)
where:
Base-Base interactions energy: -156.303
where: short stacking energy: -75.693
Base-Backbone interact. energy: -0.116
local terms energy: -77.543275
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -14.175
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -14.567
tors. eta vs tors. theta energy: -16.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -238.955416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.955416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.955416 (E_RNA)
where:
Base-Base interactions energy: -156.961
where: short stacking energy: -73.208
Base-Backbone interact. energy: -0.106
local terms energy: -81.888849
where:
bonds (distance) C4'-P energy: -16.597
bonds (distance) P-C4' energy: -18.924
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -21.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -230.308395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.308395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.308395 (E_RNA)
where:
Base-Base interactions energy: -154.185
where: short stacking energy: -67.091
Base-Backbone interact. energy: -0.185
local terms energy: -75.938175
where:
bonds (distance) C4'-P energy: -16.468
bonds (distance) P-C4' energy: -16.469
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -16.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -236.588253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.588253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.588253 (E_RNA)
where:
Base-Base interactions energy: -155.294
where: short stacking energy: -66.846
Base-Backbone interact. energy: -0.003
local terms energy: -81.290908
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -18.341
flat angles C4'-P-C4' energy: -18.043
flat angles P-C4'-P energy: -11.824
tors. eta vs tors. theta energy: -19.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -100.305266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.305266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.305266 (E_RNA)
where:
Base-Base interactions energy: -41.233
where: short stacking energy: -36.175
Base-Backbone interact. energy: -0.219
local terms energy: -58.853518
where:
bonds (distance) C4'-P energy: -17.315
bonds (distance) P-C4' energy: -15.595
flat angles C4'-P-C4' energy: -9.346
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -6.503
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: 7, replica: 3
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -92.791915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.791915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.791915 (E_RNA)
where:
Base-Base interactions energy: -39.531
where: short stacking energy: -39.118
Base-Backbone interact. energy: -0.475
local terms energy: -52.786031
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -13.524
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -5.654
tors. eta vs tors. theta energy: -4.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -98.860264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.860264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.860264 (E_RNA)
where:
Base-Base interactions energy: -37.899
where: short stacking energy: -28.244
Base-Backbone interact. energy: -0.559
local terms energy: -60.402544
where:
bonds (distance) C4'-P energy: -18.010
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -13.027
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -2.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -81.355309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.355309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.355309 (E_RNA)
where:
Base-Base interactions energy: -41.141
where: short stacking energy: -29.013
Base-Backbone interact. energy: -0.608
local terms energy: -39.605988
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -10.760
flat angles P-C4'-P energy: -4.994
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: 10, replica: 7
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -86.640478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.640478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.640478 (E_RNA)
where:
Base-Base interactions energy: -26.090
where: short stacking energy: -26.090
Base-Backbone interact. energy: 0.585
local terms energy: -61.135969
where:
bonds (distance) C4'-P energy: -10.814
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -16.611
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -7.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -247.756193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.756193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.756193 (E_RNA)
where:
Base-Base interactions energy: -163.916
where: short stacking energy: -71.967
Base-Backbone interact. energy: -0.127
local terms energy: -83.712422
where:
bonds (distance) C4'-P energy: -17.672
bonds (distance) P-C4' energy: -18.565
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -13.698
tors. eta vs tors. theta energy: -17.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -254.205264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.205264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.205264 (E_RNA)
where:
Base-Base interactions energy: -168.447
where: short stacking energy: -84.525
Base-Backbone interact. energy: -0.388
local terms energy: -85.371038
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -16.803
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -26.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -232.198433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.198433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.198433 (E_RNA)
where:
Base-Base interactions energy: -153.683
where: short stacking energy: -66.868
Base-Backbone interact. energy: -0.124
local terms energy: -78.391205
where:
bonds (distance) C4'-P energy: -12.241
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -18.376
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -20.339
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: 208
Temperature: 1.050000
Total energy: -253.806117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.806117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.806117 (E_RNA)
where:
Base-Base interactions energy: -178.188
where: short stacking energy: -74.789
Base-Backbone interact. energy: -0.042
local terms energy: -75.575180
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -15.913
tors. eta vs tors. theta energy: -17.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -203.284817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.284817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.284817 (E_RNA)
where:
Base-Base interactions energy: -128.911
where: short stacking energy: -56.324
Base-Backbone interact. energy: -0.005
local terms energy: -74.369665
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -16.754
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -18.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -105.401756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.401756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.401756 (E_RNA)
where:
Base-Base interactions energy: -41.252
where: short stacking energy: -41.252
Base-Backbone interact. energy: -0.067
local terms energy: -64.082901
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -16.832
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -11.601
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: 7, replica: 8
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -93.308734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.308734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.308734 (E_RNA)
where:
Base-Base interactions energy: -33.465
where: short stacking energy: -33.212
Base-Backbone interact. energy: -0.108
local terms energy: -59.735178
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -18.133
flat angles C4'-P-C4' energy: -10.177
flat angles P-C4'-P energy: -8.311
tors. eta vs tors. theta energy: -5.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -87.178253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.178253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.178253 (E_RNA)
where:
Base-Base interactions energy: -39.413
where: short stacking energy: -21.435
Base-Backbone interact. energy: 0.666
local terms energy: -48.431355
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -11.265
flat angles P-C4'-P energy: -6.377
tors. eta vs tors. theta energy: 0.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -85.869387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.869387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.869387 (E_RNA)
where:
Base-Base interactions energy: -31.936
where: short stacking energy: -24.774
Base-Backbone interact. energy: -0.318
local terms energy: -53.615806
where:
bonds (distance) C4'-P energy: -17.100
bonds (distance) P-C4' energy: -16.345
flat angles C4'-P-C4' energy: -11.252
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: 1.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -74.884489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.884489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.884489 (E_RNA)
where:
Base-Base interactions energy: -31.976
where: short stacking energy: -17.883
Base-Backbone interact. energy: -0.563
local terms energy: -42.345926
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -10.173
flat angles C4'-P-C4' energy: -8.012
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: 0.623
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: 1
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -245.288762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.288762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.288762 (E_RNA)
where:
Base-Base interactions energy: -164.367
where: short stacking energy: -76.344
Base-Backbone interact. energy: -0.147
local terms energy: -80.774367
where:
bonds (distance) C4'-P energy: -16.595
bonds (distance) P-C4' energy: -17.571
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -12.105
tors. eta vs tors. theta energy: -19.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -255.525473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.525473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.525473 (E_RNA)
where:
Base-Base interactions energy: -165.209
where: short stacking energy: -80.867
Base-Backbone interact. energy: -0.005
local terms energy: -90.311645
where:
bonds (distance) C4'-P energy: -18.326
bonds (distance) P-C4' energy: -18.108
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -24.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -228.895695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.895695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.895695 (E_RNA)
where:
Base-Base interactions energy: -147.910
where: short stacking energy: -65.977
Base-Backbone interact. energy: -0.113
local terms energy: -80.872413
where:
bonds (distance) C4'-P energy: -16.952
bonds (distance) P-C4' energy: -14.705
flat angles C4'-P-C4' energy: -18.457
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: -18.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -242.655193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.655193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.655193 (E_RNA)
where:
Base-Base interactions energy: -158.454
where: short stacking energy: -61.760
Base-Backbone interact. energy: -0.391
local terms energy: -83.810997
where:
bonds (distance) C4'-P energy: -18.707
bonds (distance) P-C4' energy: -16.236
flat angles C4'-P-C4' energy: -19.590
flat angles P-C4'-P energy: -13.866
tors. eta vs tors. theta energy: -15.412
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: 209
Temperature: 1.100000
Total energy: -212.654488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.654488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.654488 (E_RNA)
where:
Base-Base interactions energy: -136.665
where: short stacking energy: -56.219
Base-Backbone interact. energy: 0.059
local terms energy: -76.047895
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -20.175
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: -15.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -93.871591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.871591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.871591 (E_RNA)
where:
Base-Base interactions energy: -32.973
where: short stacking energy: -32.896
Base-Backbone interact. energy: -0.609
local terms energy: -60.289212
where:
bonds (distance) C4'-P energy: -16.311
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -8.283
tors. eta vs tors. theta energy: -3.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -93.275827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.275827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.275827 (E_RNA)
where:
Base-Base interactions energy: -35.943
where: short stacking energy: -27.699
Base-Backbone interact. energy: -0.168
local terms energy: -57.164068
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -16.274
flat angles C4'-P-C4' energy: -11.879
flat angles P-C4'-P energy: -14.082
tors. eta vs tors. theta energy: -2.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -142.270998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.270998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.270998 (E_RNA)
where:
Base-Base interactions energy: -87.411
where: short stacking energy: -52.750
Base-Backbone interact. energy: 1.385
local terms energy: -56.244701
where:
bonds (distance) C4'-P energy: -6.415
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -8.114
tors. eta vs tors. theta energy: -13.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -97.437332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.437332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.437332 (E_RNA)
where:
Base-Base interactions energy: -30.762
where: short stacking energy: -30.762
Base-Backbone interact. energy: -0.219
local terms energy: -66.456306
where:
bonds (distance) C4'-P energy: -17.303
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -11.695
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: 2
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -90.276759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.276759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.276759 (E_RNA)
where:
Base-Base interactions energy: -32.672
where: short stacking energy: -20.346
Base-Backbone interact. energy: -0.519
local terms energy: -57.085082
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -13.795
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: -5.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -257.122283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.122283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.122283 (E_RNA)
where:
Base-Base interactions energy: -167.661
where: short stacking energy: -74.841
Base-Backbone interact. energy: -0.496
local terms energy: -88.965463
where:
bonds (distance) C4'-P energy: -16.936
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -19.817
flat angles P-C4'-P energy: -14.889
tors. eta vs tors. theta energy: -22.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -230.891613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.891613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.891613 (E_RNA)
where:
Base-Base interactions energy: -157.291
where: short stacking energy: -77.925
Base-Backbone interact. energy: 1.576
local terms energy: -75.176534
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -12.167
tors. eta vs tors. theta energy: -16.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -231.024658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.024658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.024658 (E_RNA)
where:
Base-Base interactions energy: -150.774
where: short stacking energy: -68.753
Base-Backbone interact. energy: -0.191
local terms energy: -80.059338
where:
bonds (distance) C4'-P energy: -17.974
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -20.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -239.941575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.941575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.941575 (E_RNA)
where:
Base-Base interactions energy: -156.734
where: short stacking energy: -73.553
Base-Backbone interact. energy: -0.129
local terms energy: -83.078696
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -16.627
flat angles C4'-P-C4' energy: -18.444
flat angles P-C4'-P energy: -13.890
tors. eta vs tors. theta energy: -22.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -218.945885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.945885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.945885 (E_RNA)
where:
Base-Base interactions energy: -143.330
where: short stacking energy: -62.129
Base-Backbone interact. energy: 0.050
local terms energy: -75.666236
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -12.146
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -11.875
tors. eta vs tors. theta energy: -19.605
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: 8
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -100.575908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.575908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.575908 (E_RNA)
where:
Base-Base interactions energy: -36.738
where: short stacking energy: -31.900
Base-Backbone interact. energy: -0.056
local terms energy: -63.781648
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -19.259
flat angles C4'-P-C4' energy: -13.661
flat angles P-C4'-P energy: -12.549
tors. eta vs tors. theta energy: -3.062
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: 7
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -173.588747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.588747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.588747 (E_RNA)
where:
Base-Base interactions energy: -100.042
where: short stacking energy: -44.819
Base-Backbone interact. energy: -0.495
local terms energy: -73.051549
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -18.766
flat angles C4'-P-C4' energy: -18.225
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -12.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -89.915233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.915233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.915233 (E_RNA)
where:
Base-Base interactions energy: -35.119
where: short stacking energy: -31.985
Base-Backbone interact. energy: -0.111
local terms energy: -54.685163
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -15.877
flat angles P-C4'-P energy: -4.787
tors. eta vs tors. theta energy: -4.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -84.019832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.019832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.019832 (E_RNA)
where:
Base-Base interactions energy: -24.715
where: short stacking energy: -23.521
Base-Backbone interact. energy: -0.035
local terms energy: -59.269591
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -3.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -83.119551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.119551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.119551 (E_RNA)
where:
Base-Base interactions energy: -23.649
where: short stacking energy: -16.873
Base-Backbone interact. energy: -0.006
local terms energy: -59.464739
where:
bonds (distance) C4'-P energy: -15.644
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -12.879
tors. eta vs tors. theta energy: -3.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -260.243224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.243224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.243224 (E_RNA)
where:
Base-Base interactions energy: -166.360
where: short stacking energy: -82.364
Base-Backbone interact. energy: -0.082
local terms energy: -93.801938
where:
bonds (distance) C4'-P energy: -18.723
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -19.887
flat angles P-C4'-P energy: -15.441
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: 2, replica: 10
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -232.924431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.924431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.924431 (E_RNA)
where:
Base-Base interactions energy: -148.564
where: short stacking energy: -65.609
Base-Backbone interact. energy: -0.287
local terms energy: -84.072897
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -20.415
flat angles C4'-P-C4' energy: -18.319
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -17.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -233.848952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.848952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.848952 (E_RNA)
where:
Base-Base interactions energy: -152.174
where: short stacking energy: -71.163
Base-Backbone interact. energy: -0.306
local terms energy: -81.369157
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -16.831
flat angles C4'-P-C4' energy: -20.838
flat angles P-C4'-P energy: -13.510
tors. eta vs tors. theta energy: -14.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -233.644778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.644778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.644778 (E_RNA)
where:
Base-Base interactions energy: -158.899
where: short stacking energy: -63.190
Base-Backbone interact. energy: -0.520
local terms energy: -74.225550
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -14.050
flat angles P-C4'-P energy: -10.356
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: 5, replica: 4
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -196.973516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.973516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.973516 (E_RNA)
where:
Base-Base interactions energy: -127.817
where: short stacking energy: -51.860
Base-Backbone interact. energy: -0.129
local terms energy: -69.027547
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -18.080
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -11.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -201.717305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.717305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.717305 (E_RNA)
where:
Base-Base interactions energy: -123.136
where: short stacking energy: -53.482
Base-Backbone interact. energy: -0.665
local terms energy: -77.916016
where:
bonds (distance) C4'-P energy: -17.270
bonds (distance) P-C4' energy: -16.408
flat angles C4'-P-C4' energy: -17.616
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -14.826
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: 211
Temperature: 1.200000
Total energy: -117.070674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.070674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.070674 (E_RNA)
where:
Base-Base interactions energy: -59.177
where: short stacking energy: -25.542
Base-Backbone interact. energy: -0.080
local terms energy: -57.813348
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -8.401
tors. eta vs tors. theta energy: -6.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -83.373926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.373926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.373926 (E_RNA)
where:
Base-Base interactions energy: -28.106
where: short stacking energy: -28.106
Base-Backbone interact. energy: -0.030
local terms energy: -55.237662
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -18.999
flat angles C4'-P-C4' energy: -7.177
flat angles P-C4'-P energy: -13.001
tors. eta vs tors. theta energy: -4.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -84.520657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.520657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.520657 (E_RNA)
where:
Base-Base interactions energy: -33.922
where: short stacking energy: -33.922
Base-Backbone interact. energy: -0.146
local terms energy: -50.452666
where:
bonds (distance) C4'-P energy: -10.567
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -10.714
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: -6.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -82.398118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.398118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.398118 (E_RNA)
where:
Base-Base interactions energy: -18.490
where: short stacking energy: -18.490
Base-Backbone interact. energy: -0.087
local terms energy: -63.820987
where:
bonds (distance) C4'-P energy: -17.307
bonds (distance) P-C4' energy: -18.648
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: 0.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -261.200939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.200939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.200939 (E_RNA)
where:
Base-Base interactions energy: -167.001
where: short stacking energy: -73.527
Base-Backbone interact. energy: -0.818
local terms energy: -93.381977
where:
bonds (distance) C4'-P energy: -17.437
bonds (distance) P-C4' energy: -18.280
flat angles C4'-P-C4' energy: -17.811
flat angles P-C4'-P energy: -15.477
tors. eta vs tors. theta energy: -24.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -226.040936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.040936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.040936 (E_RNA)
where:
Base-Base interactions energy: -148.754
where: short stacking energy: -71.622
Base-Backbone interact. energy: -0.192
local terms energy: -77.095543
where:
bonds (distance) C4'-P energy: -18.028
bonds (distance) P-C4' energy: -19.144
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -19.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -237.987273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.987273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.987273 (E_RNA)
where:
Base-Base interactions energy: -154.401
where: short stacking energy: -73.024
Base-Backbone interact. energy: -0.002
local terms energy: -83.584130
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -18.042
flat angles P-C4'-P energy: -16.936
tors. eta vs tors. theta energy: -19.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -216.390427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.390427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.390427 (E_RNA)
where:
Base-Base interactions energy: -143.462
where: short stacking energy: -58.309
Base-Backbone interact. energy: -0.163
local terms energy: -72.765045
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -15.597
flat angles C4'-P-C4' energy: -17.637
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -14.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -200.695964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.695964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.695964 (E_RNA)
where:
Base-Base interactions energy: -126.028
where: short stacking energy: -56.616
Base-Backbone interact. energy: -0.781
local terms energy: -73.887204
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -18.407
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -10.849
tors. eta vs tors. theta energy: -14.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -209.150802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.150802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.150802 (E_RNA)
where:
Base-Base interactions energy: -139.465
where: short stacking energy: -61.460
Base-Backbone interact. energy: -0.242
local terms energy: -69.443643
where:
bonds (distance) C4'-P energy: -9.380
bonds (distance) P-C4' energy: -18.601
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -8.187
tors. eta vs tors. theta energy: -18.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -110.846161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.846161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.846161 (E_RNA)
where:
Base-Base interactions energy: -52.609
where: short stacking energy: -34.613
Base-Backbone interact. energy: -0.185
local terms energy: -58.051794
where:
bonds (distance) C4'-P energy: -10.075
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -17.649
flat angles P-C4'-P energy: -6.030
tors. eta vs tors. theta energy: -8.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -93.056855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.056855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.056855 (E_RNA)
where:
Base-Base interactions energy: -31.599
where: short stacking energy: -24.916
Base-Backbone interact. energy: 0.499
local terms energy: -61.957474
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -12.511
tors. eta vs tors. theta energy: 0.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -86.387769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.387769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.387769 (E_RNA)
where:
Base-Base interactions energy: -27.887
where: short stacking energy: -27.887
Base-Backbone interact. energy: 0.733
local terms energy: -59.233742
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -15.462
flat angles P-C4'-P energy: -13.218
tors. eta vs tors. theta energy: -2.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -87.863739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.863739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.863739 (E_RNA)
where:
Base-Base interactions energy: -26.722
where: short stacking energy: -19.094
Base-Backbone interact. energy: -0.130
local terms energy: -61.011264
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -20.187
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -7.717
tors. eta vs tors. theta energy: -0.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -265.765877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.765877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.765877 (E_RNA)
where:
Base-Base interactions energy: -172.616
where: short stacking energy: -85.352
Base-Backbone interact. energy: -0.392
local terms energy: -92.757329
where:
bonds (distance) C4'-P energy: -18.267
bonds (distance) P-C4' energy: -20.070
flat angles C4'-P-C4' energy: -16.383
flat angles P-C4'-P energy: -14.135
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: 2, replica: 6
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -253.907704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.907704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.907704 (E_RNA)
where:
Base-Base interactions energy: -169.594
where: short stacking energy: -84.285
Base-Backbone interact. energy: -0.621
local terms energy: -83.693032
where:
bonds (distance) C4'-P energy: -19.295
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -10.448
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: 3, replica: 10
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -231.831201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.831201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.831201 (E_RNA)
where:
Base-Base interactions energy: -154.941
where: short stacking energy: -61.857
Base-Backbone interact. energy: 0.373
local terms energy: -77.263643
where:
bonds (distance) C4'-P energy: -15.598
bonds (distance) P-C4' energy: -17.631
flat angles C4'-P-C4' energy: -17.029
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: -18.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -216.383068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.383068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.383068 (E_RNA)
where:
Base-Base interactions energy: -137.609
where: short stacking energy: -60.821
Base-Backbone interact. energy: -0.391
local terms energy: -78.382305
where:
bonds (distance) C4'-P energy: -19.869
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -14.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -229.874065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.874065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.874065 (E_RNA)
where:
Base-Base interactions energy: -148.393
where: short stacking energy: -65.779
Base-Backbone interact. energy: -0.340
local terms energy: -81.140745
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -17.858
flat angles C4'-P-C4' energy: -18.532
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -18.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -214.604282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.604282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.604282 (E_RNA)
where:
Base-Base interactions energy: -133.821
where: short stacking energy: -53.994
Base-Backbone interact. energy: -0.010
local terms energy: -80.773575
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -19.334
flat angles C4'-P-C4' energy: -16.527
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -19.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -97.920199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.920199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.920199 (E_RNA)
where:
Base-Base interactions energy: -39.542
where: short stacking energy: -30.961
Base-Backbone interact. energy: -0.087
local terms energy: -58.291216
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -16.255
flat angles P-C4'-P energy: -7.349
tors. eta vs tors. theta energy: -5.419
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: 8, replica: 3
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -104.283650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.283650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.283650 (E_RNA)
where:
Base-Base interactions energy: -38.337
where: short stacking energy: -32.083
Base-Backbone interact. energy: 0.343
local terms energy: -66.289333
where:
bonds (distance) C4'-P energy: -18.632
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -20.366
flat angles P-C4'-P energy: -7.946
tors. eta vs tors. theta energy: -4.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -84.716201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.716201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.716201 (E_RNA)
where:
Base-Base interactions energy: -28.108
where: short stacking energy: -21.467
Base-Backbone interact. energy: -0.093
local terms energy: -56.514797
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -12.643
tors. eta vs tors. theta energy: -0.185
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: 2
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -86.037762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.037762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.037762 (E_RNA)
where:
Base-Base interactions energy: -22.127
where: short stacking energy: -22.127
Base-Backbone interact. energy: -0.154
local terms energy: -63.757356
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -19.259
flat angles C4'-P-C4' energy: -17.697
flat angles P-C4'-P energy: -7.112
tors. eta vs tors. theta energy: -4.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -259.290916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.290916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.290916 (E_RNA)
where:
Base-Base interactions energy: -172.113
where: short stacking energy: -85.796
Base-Backbone interact. energy: -0.001
local terms energy: -87.177617
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -20.051
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -12.662
tors. eta vs tors. theta energy: -27.063
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: 6
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -248.326450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.326450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.326450 (E_RNA)
where:
Base-Base interactions energy: -158.631
where: short stacking energy: -70.774
Base-Backbone interact. energy: -0.659
local terms energy: -89.036349
where:
bonds (distance) C4'-P energy: -17.382
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -17.314
flat angles P-C4'-P energy: -13.070
tors. eta vs tors. theta energy: -22.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -221.224153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.224153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.224153 (E_RNA)
where:
Base-Base interactions energy: -132.581
where: short stacking energy: -76.847
Base-Backbone interact. energy: -0.001
local terms energy: -88.642717
where:
bonds (distance) C4'-P energy: -14.531
bonds (distance) P-C4' energy: -19.518
flat angles C4'-P-C4' energy: -17.883
flat angles P-C4'-P energy: -13.002
tors. eta vs tors. theta energy: -23.709
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: 10
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -230.279051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.279051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.279051 (E_RNA)
where:
Base-Base interactions energy: -150.446
where: short stacking energy: -62.419
Base-Backbone interact. energy: -0.207
local terms energy: -79.626000
where:
bonds (distance) C4'-P energy: -14.324
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -19.686
flat angles P-C4'-P energy: -12.017
tors. eta vs tors. theta energy: -16.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -233.093806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.093806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.093806 (E_RNA)
where:
Base-Base interactions energy: -145.680
where: short stacking energy: -65.093
Base-Backbone interact. energy: -0.192
local terms energy: -87.221964
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -18.389
flat angles C4'-P-C4' energy: -19.282
flat angles P-C4'-P energy: -14.993
tors. eta vs tors. theta energy: -19.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -154.500452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.500452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.500452 (E_RNA)
where:
Base-Base interactions energy: -90.231
where: short stacking energy: -37.730
Base-Backbone interact. energy: -0.813
local terms energy: -63.456679
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -11.349
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -9.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -99.364005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.364005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.364005 (E_RNA)
where:
Base-Base interactions energy: -39.613
where: short stacking energy: -33.375
Base-Backbone interact. energy: 2.662
local terms energy: -62.413202
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -18.432
flat angles C4'-P-C4' energy: -16.993
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -5.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -92.142618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.142618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.142618 (E_RNA)
where:
Base-Base interactions energy: -37.781
where: short stacking energy: -26.923
Base-Backbone interact. energy: -0.368
local terms energy: -53.994253
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -16.726
flat angles C4'-P-C4' energy: -7.516
flat angles P-C4'-P energy: -13.145
tors. eta vs tors. theta energy: -2.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -91.747483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.747483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.747483 (E_RNA)
where:
Base-Base interactions energy: -48.029
where: short stacking energy: -16.919
Base-Backbone interact. energy: -0.307
local terms energy: -43.411652
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -7.003
flat angles P-C4'-P energy: -4.096
tors. eta vs tors. theta energy: -2.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -80.908522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.908522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.908522 (E_RNA)
where:
Base-Base interactions energy: -34.647
where: short stacking energy: -28.799
Base-Backbone interact. energy: -0.161
local terms energy: -46.100697
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -7.199
flat angles C4'-P-C4' energy: -11.234
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -4.557
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: 215
Temperature: 0.900000
Total energy: -261.701217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.701217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.701217 (E_RNA)
where:
Base-Base interactions energy: -175.664
where: short stacking energy: -77.910
Base-Backbone interact. energy: -0.473
local terms energy: -85.564192
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -22.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -224.294458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.294458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.294458 (E_RNA)
where:
Base-Base interactions energy: -143.577
where: short stacking energy: -64.798
Base-Backbone interact. energy: -0.868
local terms energy: -79.849217
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -17.359
flat angles C4'-P-C4' energy: -19.044
flat angles P-C4'-P energy: -9.828
tors. eta vs tors. theta energy: -18.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -237.446219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.446219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.446219 (E_RNA)
where:
Base-Base interactions energy: -162.798
where: short stacking energy: -67.646
Base-Backbone interact. energy: -0.263
local terms energy: -74.385304
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -15.747
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -17.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -224.910199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.910199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.910199 (E_RNA)
where:
Base-Base interactions energy: -154.506
where: short stacking energy: -72.403
Base-Backbone interact. energy: -0.111
local terms energy: -70.293235
where:
bonds (distance) C4'-P energy: -10.636
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -18.174
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: 5, replica: 10
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -218.281355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.281355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.281355 (E_RNA)
where:
Base-Base interactions energy: -139.782
where: short stacking energy: -62.661
Base-Backbone interact. energy: -0.329
local terms energy: -78.170824
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -16.077
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -17.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -152.084644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.084644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.084644 (E_RNA)
where:
Base-Base interactions energy: -89.795
where: short stacking energy: -27.385
Base-Backbone interact. energy: -0.586
local terms energy: -61.703873
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -9.125
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: 3
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -120.207013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.207013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.207013 (E_RNA)
where:
Base-Base interactions energy: -60.963
where: short stacking energy: -39.859
Base-Backbone interact. energy: -0.774
local terms energy: -58.470093
where:
bonds (distance) C4'-P energy: -17.130
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: -4.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -83.479474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.479474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.479474 (E_RNA)
where:
Base-Base interactions energy: -31.402
where: short stacking energy: -30.582
Base-Backbone interact. energy: -0.305
local terms energy: -51.771670
where:
bonds (distance) C4'-P energy: -13.082
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -0.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -84.851925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.851925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.851925 (E_RNA)
where:
Base-Base interactions energy: -38.967
where: short stacking energy: -20.912
Base-Backbone interact. energy: -0.317
local terms energy: -45.568204
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -20.195
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -2.984
tors. eta vs tors. theta energy: 3.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -84.678793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.678793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.678793 (E_RNA)
where:
Base-Base interactions energy: -28.528
where: short stacking energy: -27.354
Base-Backbone interact. energy: -0.123
local terms energy: -56.026935
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -17.942
flat angles P-C4'-P energy: -9.880
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: 1, replica: 9
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -257.933851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.933851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.933851 (E_RNA)
where:
Base-Base interactions energy: -170.198
where: short stacking energy: -76.770
Base-Backbone interact. energy: -0.836
local terms energy: -86.900463
where:
bonds (distance) C4'-P energy: -17.398
bonds (distance) P-C4' energy: -14.629
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -13.363
tors. eta vs tors. theta energy: -24.294
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: 7
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -217.978557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.978557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.978557 (E_RNA)
where:
Base-Base interactions energy: -139.507
where: short stacking energy: -67.257
Base-Backbone interact. energy: 0.913
local terms energy: -79.384681
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -15.525
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -22.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -231.269551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.269551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.269551 (E_RNA)
where:
Base-Base interactions energy: -141.537
where: short stacking energy: -65.884
Base-Backbone interact. energy: -0.146
local terms energy: -89.587171
where:
bonds (distance) C4'-P energy: -17.130
bonds (distance) P-C4' energy: -18.507
flat angles C4'-P-C4' energy: -20.375
flat angles P-C4'-P energy: -13.342
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: 6
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -234.018852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.018852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.018852 (E_RNA)
where:
Base-Base interactions energy: -154.902
where: short stacking energy: -74.383
Base-Backbone interact. energy: -0.726
local terms energy: -78.391637
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -13.358
tors. eta vs tors. theta energy: -18.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -210.400138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.400138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.400138 (E_RNA)
where:
Base-Base interactions energy: -140.147
where: short stacking energy: -58.650
Base-Backbone interact. energy: -0.211
local terms energy: -70.042031
where:
bonds (distance) C4'-P energy: -9.871
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -14.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -168.929593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.929593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.929593 (E_RNA)
where:
Base-Base interactions energy: -109.981
where: short stacking energy: -47.619
Base-Backbone interact. energy: -0.913
local terms energy: -58.036112
where:
bonds (distance) C4'-P energy: -7.947
bonds (distance) P-C4' energy: -10.954
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -14.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -89.005002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.005002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.005002 (E_RNA)
where:
Base-Base interactions energy: -34.228
where: short stacking energy: -27.574
Base-Backbone interact. energy: -0.748
local terms energy: -54.028505
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -17.260
flat angles P-C4'-P energy: -6.002
tors. eta vs tors. theta energy: -3.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -88.474258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.474258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.474258 (E_RNA)
where:
Base-Base interactions energy: -32.771
where: short stacking energy: -32.771
Base-Backbone interact. energy: -0.134
local terms energy: -55.568745
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -14.386
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -8.053
tors. eta vs tors. theta energy: -1.168
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: 5
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -84.459213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.459213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.459213 (E_RNA)
where:
Base-Base interactions energy: -29.977
where: short stacking energy: -29.977
Base-Backbone interact. energy: -0.209
local terms energy: -54.273512
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -11.191
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: 8
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -103.167478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.167478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.167478 (E_RNA)
where:
Base-Base interactions energy: -45.235
where: short stacking energy: -41.227
Base-Backbone interact. energy: -0.083
local terms energy: -57.849444
where:
bonds (distance) C4'-P energy: -18.127
bonds (distance) P-C4' energy: -17.920
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -3.027
tors. eta vs tors. theta energy: -4.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -257.919341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.919341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.919341 (E_RNA)
where:
Base-Base interactions energy: -167.227
where: short stacking energy: -83.446
Base-Backbone interact. energy: -0.423
local terms energy: -90.268821
where:
bonds (distance) C4'-P energy: -11.741
bonds (distance) P-C4' energy: -18.435
flat angles C4'-P-C4' energy: -18.737
flat angles P-C4'-P energy: -15.399
tors. eta vs tors. theta energy: -25.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -242.161150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.161150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.161150 (E_RNA)
where:
Base-Base interactions energy: -159.961
where: short stacking energy: -71.112
Base-Backbone interact. energy: 0.434
local terms energy: -82.634251
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -16.961
flat angles C4'-P-C4' energy: -17.828
flat angles P-C4'-P energy: -13.483
tors. eta vs tors. theta energy: -19.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -212.928836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.928836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.928836 (E_RNA)
where:
Base-Base interactions energy: -126.523
where: short stacking energy: -61.891
Base-Backbone interact. energy: -0.006
local terms energy: -86.399481
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -18.812
flat angles P-C4'-P energy: -15.169
tors. eta vs tors. theta energy: -19.351
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: 4, replica: 6
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -241.335471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.335471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.335471 (E_RNA)
where:
Base-Base interactions energy: -169.435
where: short stacking energy: -67.306
Base-Backbone interact. energy: 1.261
local terms energy: -73.161442
where:
bonds (distance) C4'-P energy: -10.791
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -14.065
flat angles P-C4'-P energy: -12.236
tors. eta vs tors. theta energy: -19.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -227.144565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.144565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.144565 (E_RNA)
where:
Base-Base interactions energy: -142.770
where: short stacking energy: -62.369
Base-Backbone interact. energy: -0.185
local terms energy: -84.190123
where:
bonds (distance) C4'-P energy: -16.019
bonds (distance) P-C4' energy: -20.864
flat angles C4'-P-C4' energy: -18.460
flat angles P-C4'-P energy: -14.004
tors. eta vs tors. theta energy: -14.844
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: 4
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -167.674463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.674463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.674463 (E_RNA)
where:
Base-Base interactions energy: -92.253
where: short stacking energy: -50.683
Base-Backbone interact. energy: -1.420
local terms energy: -74.001701
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -18.351
flat angles P-C4'-P energy: -13.084
tors. eta vs tors. theta energy: -12.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -102.915662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.915662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.915662 (E_RNA)
where:
Base-Base interactions energy: -52.922
where: short stacking energy: -33.063
Base-Backbone interact. energy: 1.655
local terms energy: -51.649395
where:
bonds (distance) C4'-P energy: -15.446
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -10.937
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -0.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -89.098620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.098620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.098620 (E_RNA)
where:
Base-Base interactions energy: -29.361
where: short stacking energy: -29.361
Base-Backbone interact. energy: -0.261
local terms energy: -59.477193
where:
bonds (distance) C4'-P energy: -18.839
bonds (distance) P-C4' energy: -15.876
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -2.827
tors. eta vs tors. theta energy: -4.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -108.585909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.585909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.585909 (E_RNA)
where:
Base-Base interactions energy: -42.317
where: short stacking energy: -31.905
Base-Backbone interact. energy: -0.197
local terms energy: -66.071452
where:
bonds (distance) C4'-P energy: -18.017
bonds (distance) P-C4' energy: -16.699
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -8.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -78.253445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.253445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.253445 (E_RNA)
where:
Base-Base interactions energy: -21.264
where: short stacking energy: -21.264
Base-Backbone interact. energy: -0.226
local terms energy: -56.763957
where:
bonds (distance) C4'-P energy: -14.271
bonds (distance) P-C4' energy: -14.411
flat angles C4'-P-C4' energy: -18.316
flat angles P-C4'-P energy: -5.791
tors. eta vs tors. theta energy: -3.975
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: 1, replica: 1
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -246.265636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.265636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.265636 (E_RNA)
where:
Base-Base interactions energy: -166.710
where: short stacking energy: -68.310
Base-Backbone interact. energy: -0.117
local terms energy: -79.438406
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -13.917
tors. eta vs tors. theta energy: -19.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -254.792445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.792445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.792445 (E_RNA)
where:
Base-Base interactions energy: -167.493
where: short stacking energy: -80.808
Base-Backbone interact. energy: -0.565
local terms energy: -86.734566
where:
bonds (distance) C4'-P energy: -9.785
bonds (distance) P-C4' energy: -17.797
flat angles C4'-P-C4' energy: -18.112
flat angles P-C4'-P energy: -14.283
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: 3, replica: 6
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -245.912184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.912184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.912184 (E_RNA)
where:
Base-Base interactions energy: -162.232
where: short stacking energy: -61.358
Base-Backbone interact. energy: -0.189
local terms energy: -83.491066
where:
bonds (distance) C4'-P energy: -16.095
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -11.978
tors. eta vs tors. theta energy: -19.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -210.834075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.834075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.834075 (E_RNA)
where:
Base-Base interactions energy: -126.973
where: short stacking energy: -55.047
Base-Backbone interact. energy: -0.042
local terms energy: -83.819278
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -17.981
flat angles C4'-P-C4' energy: -17.988
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -21.558
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: 10
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -225.783920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.783920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.783920 (E_RNA)
where:
Base-Base interactions energy: -142.788
where: short stacking energy: -61.553
Base-Backbone interact. energy: 0.351
local terms energy: -83.346511
where:
bonds (distance) C4'-P energy: -19.290
bonds (distance) P-C4' energy: -16.073
flat angles C4'-P-C4' energy: -17.432
flat angles P-C4'-P energy: -12.366
tors. eta vs tors. theta energy: -18.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -178.885467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.885467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.885467 (E_RNA)
where:
Base-Base interactions energy: -110.844
where: short stacking energy: -53.408
Base-Backbone interact. energy: 1.917
local terms energy: -69.958840
where:
bonds (distance) C4'-P energy: -12.058
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -18.038
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: -12.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -105.935043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.935043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.935043 (E_RNA)
where:
Base-Base interactions energy: -45.799
where: short stacking energy: -36.297
Base-Backbone interact. energy: -0.738
local terms energy: -59.398407
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -15.279
flat angles C4'-P-C4' energy: -17.738
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -2.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -101.369351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.369351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.369351 (E_RNA)
where:
Base-Base interactions energy: -51.319
where: short stacking energy: -27.700
Base-Backbone interact. energy: -0.450
local terms energy: -49.599438
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -4.550
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -7.493
tors. eta vs tors. theta energy: -8.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -78.809992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.809992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.809992 (E_RNA)
where:
Base-Base interactions energy: -23.696
where: short stacking energy: -23.677
Base-Backbone interact. energy: -1.151
local terms energy: -53.963308
where:
bonds (distance) C4'-P energy: -17.990
bonds (distance) P-C4' energy: -15.915
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -5.920
tors. eta vs tors. theta energy: -0.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -79.094622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.094622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.094622 (E_RNA)
where:
Base-Base interactions energy: -21.382
where: short stacking energy: -21.123
Base-Backbone interact. energy: 0.179
local terms energy: -57.891651
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -7.078
tors. eta vs tors. theta energy: -3.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -240.349434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.349434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.349434 (E_RNA)
where:
Base-Base interactions energy: -160.706
where: short stacking energy: -74.995
Base-Backbone interact. energy: -0.337
local terms energy: -79.306428
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -13.833
flat angles C4'-P-C4' energy: -18.025
flat angles P-C4'-P energy: -10.567
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: 2, replica: 6
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -256.364848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.364848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.364848 (E_RNA)
where:
Base-Base interactions energy: -168.225
where: short stacking energy: -85.939
Base-Backbone interact. energy: -0.356
local terms energy: -87.784302
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -14.974
tors. eta vs tors. theta energy: -25.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -247.404565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.404565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.404565 (E_RNA)
where:
Base-Base interactions energy: -175.469
where: short stacking energy: -76.974
Base-Backbone interact. energy: -0.016
local terms energy: -71.919603
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -16.180
flat angles P-C4'-P energy: -5.083
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: 10
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -228.520745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.520745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.520745 (E_RNA)
where:
Base-Base interactions energy: -144.168
where: short stacking energy: -60.622
Base-Backbone interact. energy: -0.160
local terms energy: -84.192427
where:
bonds (distance) C4'-P energy: -18.935
bonds (distance) P-C4' energy: -16.002
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -13.344
tors. eta vs tors. theta energy: -19.521
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: 7
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -204.629423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.629423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.629423 (E_RNA)
where:
Base-Base interactions energy: -122.744
where: short stacking energy: -71.140
Base-Backbone interact. energy: -0.073
local terms energy: -81.812300
where:
bonds (distance) C4'-P energy: -11.601
bonds (distance) P-C4' energy: -16.066
flat angles C4'-P-C4' energy: -18.106
flat angles P-C4'-P energy: -13.394
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: 6, replica: 4
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -189.933073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.933073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.933073 (E_RNA)
where:
Base-Base interactions energy: -120.070
where: short stacking energy: -52.120
Base-Backbone interact. energy: -0.010
local terms energy: -69.853811
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -13.442
flat angles C4'-P-C4' energy: -17.005
flat angles P-C4'-P energy: -6.137
tors. eta vs tors. theta energy: -16.981
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: 7, replica: 5
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -96.317199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.317199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.317199 (E_RNA)
where:
Base-Base interactions energy: -29.435
where: short stacking energy: -29.435
Base-Backbone interact. energy: -0.458
local terms energy: -66.423667
where:
bonds (distance) C4'-P energy: -17.850
bonds (distance) P-C4' energy: -12.808
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -8.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -99.044816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.044816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.044816 (E_RNA)
where:
Base-Base interactions energy: -52.352
where: short stacking energy: -41.241
Base-Backbone interact. energy: 0.669
local terms energy: -47.362369
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -10.182
flat angles P-C4'-P energy: -7.735
tors. eta vs tors. theta energy: -2.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -91.605357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.605357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.605357 (E_RNA)
where:
Base-Base interactions energy: -29.704
where: short stacking energy: -29.704
Base-Backbone interact. energy: -0.173
local terms energy: -61.728461
where:
bonds (distance) C4'-P energy: -17.140
bonds (distance) P-C4' energy: -15.066
flat angles C4'-P-C4' energy: -16.961
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -1.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -88.770582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.770582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.770582 (E_RNA)
where:
Base-Base interactions energy: -33.488
where: short stacking energy: -30.979
Base-Backbone interact. energy: -1.518
local terms energy: -53.764210
where:
bonds (distance) C4'-P energy: -13.102
bonds (distance) P-C4' energy: -11.990
flat angles C4'-P-C4' energy: -16.825
flat angles P-C4'-P energy: -8.073
tors. eta vs tors. theta energy: -3.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -254.370414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.370414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.370414 (E_RNA)
where:
Base-Base interactions energy: -163.684
where: short stacking energy: -78.992
Base-Backbone interact. energy: -0.207
local terms energy: -90.478690
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -18.896
flat angles P-C4'-P energy: -13.072
tors. eta vs tors. theta energy: -22.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -240.476900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.476900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.476900 (E_RNA)
where:
Base-Base interactions energy: -161.705
where: short stacking energy: -76.580
Base-Backbone interact. energy: -0.988
local terms energy: -77.784507
where:
bonds (distance) C4'-P energy: -17.329
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -11.206
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -20.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -245.687988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.687988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.687988 (E_RNA)
where:
Base-Base interactions energy: -167.461
where: short stacking energy: -78.473
Base-Backbone interact. energy: -0.031
local terms energy: -78.195894
where:
bonds (distance) C4'-P energy: -12.684
bonds (distance) P-C4' energy: -10.241
flat angles C4'-P-C4' energy: -14.923
flat angles P-C4'-P energy: -15.014
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: 4, replica: 10
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -229.045474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.045474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.045474 (E_RNA)
where:
Base-Base interactions energy: -144.817
where: short stacking energy: -66.170
Base-Backbone interact. energy: -0.025
local terms energy: -84.203439
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -19.200
flat angles P-C4'-P energy: -14.223
tors. eta vs tors. theta energy: -18.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -210.882825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.882825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.882825 (E_RNA)
where:
Base-Base interactions energy: -132.792
where: short stacking energy: -67.609
Base-Backbone interact. energy: -0.196
local terms energy: -77.894874
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -17.939
flat angles P-C4'-P energy: -8.004
tors. eta vs tors. theta energy: -20.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -187.498787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.498787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.498787 (E_RNA)
where:
Base-Base interactions energy: -115.605
where: short stacking energy: -49.446
Base-Backbone interact. energy: -0.178
local terms energy: -71.716494
where:
bonds (distance) C4'-P energy: -10.141
bonds (distance) P-C4' energy: -19.718
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: -14.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -116.772307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.772307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.772307 (E_RNA)
where:
Base-Base interactions energy: -68.300
where: short stacking energy: -31.991
Base-Backbone interact. energy: -0.818
local terms energy: -47.654630
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -11.514
flat angles P-C4'-P energy: -9.794
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: 5
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -90.670190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.670190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.670190 (E_RNA)
where:
Base-Base interactions energy: -37.601
where: short stacking energy: -30.918
Base-Backbone interact. energy: 0.184
local terms energy: -53.253077
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -9.543
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -7.795
tors. eta vs tors. theta energy: -6.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -84.670388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.670388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.670388 (E_RNA)
where:
Base-Base interactions energy: -30.743
where: short stacking energy: -28.943
Base-Backbone interact. energy: -0.167
local terms energy: -53.761124
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -6.334
tors. eta vs tors. theta energy: -4.923
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: 220
Temperature: 1.350000
Total energy: -74.885930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.885930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.885930 (E_RNA)
where:
Base-Base interactions energy: -25.913
where: short stacking energy: -25.913
Base-Backbone interact. energy: 0.421
local terms energy: -49.393880
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -12.079
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -6.693
tors. eta vs tors. theta energy: -1.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -245.368952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.368952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.368952 (E_RNA)
where:
Base-Base interactions energy: -159.986
where: short stacking energy: -70.295
Base-Backbone interact. energy: -1.698
local terms energy: -83.685465
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -18.709
flat angles C4'-P-C4' energy: -19.589
flat angles P-C4'-P energy: -13.282
tors. eta vs tors. theta energy: -16.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -251.879283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.879283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.879283 (E_RNA)
where:
Base-Base interactions energy: -168.591
where: short stacking energy: -81.148
Base-Backbone interact. energy: -0.398
local terms energy: -82.889687
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -17.877
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -25.294
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: 6
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -253.231397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.231397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.231397 (E_RNA)
where:
Base-Base interactions energy: -163.087
where: short stacking energy: -77.161
Base-Backbone interact. energy: -0.020
local terms energy: -90.124782
where:
bonds (distance) C4'-P energy: -17.957
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -12.876
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: 4, replica: 10
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -222.163493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.163493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.163493 (E_RNA)
where:
Base-Base interactions energy: -146.650
where: short stacking energy: -68.601
Base-Backbone interact. energy: -1.335
local terms energy: -74.177639
where:
bonds (distance) C4'-P energy: -18.581
bonds (distance) P-C4' energy: -12.906
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -17.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -153.625108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.625108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.625108 (E_RNA)
where:
Base-Base interactions energy: -95.074
where: short stacking energy: -45.314
Base-Backbone interact. energy: -1.178
local terms energy: -57.373561
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -10.627
flat angles P-C4'-P energy: -6.386
tors. eta vs tors. theta energy: -9.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -189.260756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.260756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.260756 (E_RNA)
where:
Base-Base interactions energy: -121.975
where: short stacking energy: -60.544
Base-Backbone interact. energy: -0.308
local terms energy: -66.976927
where:
bonds (distance) C4'-P energy: -18.082
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -6.924
tors. eta vs tors. theta energy: -11.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -136.839154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.839154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.839154 (E_RNA)
where:
Base-Base interactions energy: -83.132
where: short stacking energy: -34.048
Base-Backbone interact. energy: -0.699
local terms energy: -53.008378
where:
bonds (distance) C4'-P energy: -8.559
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -12.090
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: 8, replica: 3
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -87.210748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.210748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.210748 (E_RNA)
where:
Base-Base interactions energy: -26.103
where: short stacking energy: -26.103
Base-Backbone interact. energy: -0.794
local terms energy: -60.314027
where:
bonds (distance) C4'-P energy: -11.603
bonds (distance) P-C4' energy: -16.609
flat angles C4'-P-C4' energy: -18.160
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: -2.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -90.171349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.171349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.171349 (E_RNA)
where:
Base-Base interactions energy: -36.121
where: short stacking energy: -18.808
Base-Backbone interact. energy: -0.140
local terms energy: -53.910110
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -20.200
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -6.859
tors. eta vs tors. theta energy: -1.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -81.550958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.550958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.550958 (E_RNA)
where:
Base-Base interactions energy: -35.359
where: short stacking energy: -26.285
Base-Backbone interact. energy: 0.696
local terms energy: -46.888102
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -11.985
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: 1.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -264.165947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.165947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.165947 (E_RNA)
where:
Base-Base interactions energy: -167.748
where: short stacking energy: -85.624
Base-Backbone interact. energy: -0.030
local terms energy: -96.388585
where:
bonds (distance) C4'-P energy: -15.983
bonds (distance) P-C4' energy: -18.537
flat angles C4'-P-C4' energy: -19.618
flat angles P-C4'-P energy: -14.874
tors. eta vs tors. theta energy: -27.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -240.314108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.314108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.314108 (E_RNA)
where:
Base-Base interactions energy: -157.716
where: short stacking energy: -70.551
Base-Backbone interact. energy: 1.997
local terms energy: -84.595011
where:
bonds (distance) C4'-P energy: -12.769
bonds (distance) P-C4' energy: -20.570
flat angles C4'-P-C4' energy: -20.006
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -19.821
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: 6
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -245.850603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.850603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.850603 (E_RNA)
where:
Base-Base interactions energy: -164.167
where: short stacking energy: -64.969
Base-Backbone interact. energy: -0.121
local terms energy: -81.562648
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -18.960
flat angles P-C4'-P energy: -13.662
tors. eta vs tors. theta energy: -20.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -220.562489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.562489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.562489 (E_RNA)
where:
Base-Base interactions energy: -145.626
where: short stacking energy: -64.732
Base-Backbone interact. energy: -0.219
local terms energy: -74.716979
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -14.580
flat angles C4'-P-C4' energy: -18.776
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -18.055
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: 222
Temperature: 1.100000
Total energy: -198.787928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.787928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.787928 (E_RNA)
where:
Base-Base interactions energy: -114.060
where: short stacking energy: -58.362
Base-Backbone interact. energy: -0.004
local terms energy: -84.724068
where:
bonds (distance) C4'-P energy: -18.633
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -12.963
tors. eta vs tors. theta energy: -18.088
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: 6, replica: 7
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -148.226190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.226190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.226190 (E_RNA)
where:
Base-Base interactions energy: -85.951
where: short stacking energy: -42.118
Base-Backbone interact. energy: -0.154
local terms energy: -62.121401
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -10.919
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -12.345
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: 2
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -154.077300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.077300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.077300 (E_RNA)
where:
Base-Base interactions energy: -88.124
where: short stacking energy: -43.490
Base-Backbone interact. energy: -0.188
local terms energy: -65.765292
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -17.285
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -11.399
tors. eta vs tors. theta energy: -8.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -85.341040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.341040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.341040 (E_RNA)
where:
Base-Base interactions energy: -39.620
where: short stacking energy: -36.515
Base-Backbone interact. energy: -0.129
local terms energy: -45.592102
where:
bonds (distance) C4'-P energy: -10.919
bonds (distance) P-C4' energy: -12.429
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -5.206
tors. eta vs tors. theta energy: -3.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -86.128877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.128877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.128877 (E_RNA)
where:
Base-Base interactions energy: -39.428
where: short stacking energy: -35.392
Base-Backbone interact. energy: -0.114
local terms energy: -46.587445
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -10.971
flat angles P-C4'-P energy: -6.346
tors. eta vs tors. theta energy: -0.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -82.844583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.844583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.844583 (E_RNA)
where:
Base-Base interactions energy: -32.323
where: short stacking energy: -23.188
Base-Backbone interact. energy: 0.728
local terms energy: -51.249607
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -17.863
flat angles C4'-P-C4' energy: -9.909
flat angles P-C4'-P energy: -5.150
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: 1, replica: 9
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -249.493346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.493346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.493346 (E_RNA)
where:
Base-Base interactions energy: -158.411
where: short stacking energy: -77.309
Base-Backbone interact. energy: -0.030
local terms energy: -91.052745
where:
bonds (distance) C4'-P energy: -19.654
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -18.991
flat angles P-C4'-P energy: -13.198
tors. eta vs tors. theta energy: -23.920
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: 6
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -263.092274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.092274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.092274 (E_RNA)
where:
Base-Base interactions energy: -176.723
where: short stacking energy: -72.956
Base-Backbone interact. energy: -0.423
local terms energy: -85.946291
where:
bonds (distance) C4'-P energy: -18.367
bonds (distance) P-C4' energy: -18.731
flat angles C4'-P-C4' energy: -18.394
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: -19.865
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: 1
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -240.738489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.738489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.738489 (E_RNA)
where:
Base-Base interactions energy: -157.684
where: short stacking energy: -62.752
Base-Backbone interact. energy: 0.254
local terms energy: -83.308192
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -16.838
flat angles C4'-P-C4' energy: -17.179
flat angles P-C4'-P energy: -14.372
tors. eta vs tors. theta energy: -19.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -230.996488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.996488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.996488 (E_RNA)
where:
Base-Base interactions energy: -158.404
where: short stacking energy: -74.798
Base-Backbone interact. energy: -0.085
local terms energy: -72.507056
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -13.508
flat angles C4'-P-C4' energy: -18.259
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -18.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -186.047743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.047743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.047743 (E_RNA)
where:
Base-Base interactions energy: -107.259
where: short stacking energy: -54.138
Base-Backbone interact. energy: -0.364
local terms energy: -78.424605
where:
bonds (distance) C4'-P energy: -14.588
bonds (distance) P-C4' energy: -20.423
flat angles C4'-P-C4' energy: -16.273
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -17.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -110.446068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.446068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.446068 (E_RNA)
where:
Base-Base interactions energy: -52.149
where: short stacking energy: -32.537
Base-Backbone interact. energy: -0.397
local terms energy: -57.899769
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -18.883
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: -1.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -108.537176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.537176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.537176 (E_RNA)
where:
Base-Base interactions energy: -43.881
where: short stacking energy: -24.341
Base-Backbone interact. energy: -0.992
local terms energy: -63.663590
where:
bonds (distance) C4'-P energy: -18.491
bonds (distance) P-C4' energy: -16.702
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -15.054
tors. eta vs tors. theta energy: 0.016
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: 8
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -83.123829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.123829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.123829 (E_RNA)
where:
Base-Base interactions energy: -30.034
where: short stacking energy: -30.034
Base-Backbone interact. energy: -0.160
local terms energy: -52.929314
where:
bonds (distance) C4'-P energy: -11.150
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -7.879
tors. eta vs tors. theta energy: -0.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -87.340398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.340398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.340398 (E_RNA)
where:
Base-Base interactions energy: -27.326
where: short stacking energy: -27.326
Base-Backbone interact. energy: -0.016
local terms energy: -59.998432
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -18.309
flat angles C4'-P-C4' energy: -12.568
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: -7.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -86.340014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.340014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.340014 (E_RNA)
where:
Base-Base interactions energy: -26.444
where: short stacking energy: -24.440
Base-Backbone interact. energy: -0.149
local terms energy: -59.746411
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -16.101
flat angles C4'-P-C4' energy: -16.947
flat angles P-C4'-P energy: -7.923
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: 1, replica: 6
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -269.878152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.878152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.878152 (E_RNA)
where:
Base-Base interactions energy: -179.863
where: short stacking energy: -76.418
Base-Backbone interact. energy: -0.103
local terms energy: -89.912121
where:
bonds (distance) C4'-P energy: -17.908
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -17.957
flat angles P-C4'-P energy: -11.824
tors. eta vs tors. theta energy: -26.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -255.165996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.165996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.165996 (E_RNA)
where:
Base-Base interactions energy: -169.513
where: short stacking energy: -81.622
Base-Backbone interact. energy: -0.026
local terms energy: -85.627068
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -19.933
flat angles C4'-P-C4' energy: -19.828
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -22.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -237.174397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.174397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.174397 (E_RNA)
where:
Base-Base interactions energy: -151.911
where: short stacking energy: -69.735
Base-Backbone interact. energy: -0.174
local terms energy: -85.089226
where:
bonds (distance) C4'-P energy: -18.012
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -18.873
flat angles P-C4'-P energy: -12.539
tors. eta vs tors. theta energy: -22.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -225.796252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.796252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.796252 (E_RNA)
where:
Base-Base interactions energy: -151.913
where: short stacking energy: -63.024
Base-Backbone interact. energy: -0.262
local terms energy: -73.621565
where:
bonds (distance) C4'-P energy: -11.357
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -20.607
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -17.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -193.036275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.036275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.036275 (E_RNA)
where:
Base-Base interactions energy: -117.221
where: short stacking energy: -52.801
Base-Backbone interact. energy: -0.022
local terms energy: -75.793252
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -13.759
tors. eta vs tors. theta energy: -14.497
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: 7
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -134.497575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.497575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.497575 (E_RNA)
where:
Base-Base interactions energy: -76.018
where: short stacking energy: -46.863
Base-Backbone interact. energy: -0.027
local terms energy: -58.452694
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -17.771
flat angles P-C4'-P energy: -2.383
tors. eta vs tors. theta energy: -9.775
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: 224
Temperature: 1.200000
Total energy: -117.676440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.676440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.676440 (E_RNA)
where:
Base-Base interactions energy: -53.121
where: short stacking energy: -35.891
Base-Backbone interact. energy: 2.009
local terms energy: -66.563684
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -20.339
flat angles C4'-P-C4' energy: -8.452
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: -12.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -87.789020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.789020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.789020 (E_RNA)
where:
Base-Base interactions energy: -26.692
where: short stacking energy: -24.182
Base-Backbone interact. energy: -0.088
local terms energy: -61.008909
where:
bonds (distance) C4'-P energy: -16.462
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -7.014
tors. eta vs tors. theta energy: -5.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -81.161729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.161729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.161729 (E_RNA)
where:
Base-Base interactions energy: -29.772
where: short stacking energy: -23.632
Base-Backbone interact. energy: 0.832
local terms energy: -52.221312
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -13.640
flat angles P-C4'-P energy: 0.858
tors. eta vs tors. theta energy: -6.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -83.053063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.053063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.053063 (E_RNA)
where:
Base-Base interactions energy: -35.894
where: short stacking energy: -22.288
Base-Backbone interact. energy: 1.699
local terms energy: -48.858069
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -7.041
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -0.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -263.925604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.925604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.925604 (E_RNA)
where:
Base-Base interactions energy: -168.703
where: short stacking energy: -79.573
Base-Backbone interact. energy: -1.801
local terms energy: -93.421580
where:
bonds (distance) C4'-P energy: -16.735
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -17.020
flat angles P-C4'-P energy: -16.727
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: 2, replica: 9
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -247.477655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.477655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.477655 (E_RNA)
where:
Base-Base interactions energy: -162.999
where: short stacking energy: -70.626
Base-Backbone interact. energy: -0.002
local terms energy: -84.477130
where:
bonds (distance) C4'-P energy: -16.952
bonds (distance) P-C4' energy: -13.139
flat angles C4'-P-C4' energy: -17.544
flat angles P-C4'-P energy: -11.289
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: 1
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -242.773534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.773534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.773534 (E_RNA)
where:
Base-Base interactions energy: -154.478
where: short stacking energy: -73.356
Base-Backbone interact. energy: -0.141
local terms energy: -88.153965
where:
bonds (distance) C4'-P energy: -17.060
bonds (distance) P-C4' energy: -17.501
flat angles C4'-P-C4' energy: -19.008
flat angles P-C4'-P energy: -13.479
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: 4, replica: 10
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -234.605989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.605989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.605989 (E_RNA)
where:
Base-Base interactions energy: -154.319
where: short stacking energy: -69.629
Base-Backbone interact. energy: 0.741
local terms energy: -81.028259
where:
bonds (distance) C4'-P energy: -16.463
bonds (distance) P-C4' energy: -13.503
flat angles C4'-P-C4' energy: -18.574
flat angles P-C4'-P energy: -11.475
tors. eta vs tors. theta energy: -21.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -201.008016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.008016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.008016 (E_RNA)
where:
Base-Base interactions energy: -124.330
where: short stacking energy: -59.424
Base-Backbone interact. energy: -0.105
local terms energy: -76.573609
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -19.790
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: -16.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -173.901540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.901540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.901540 (E_RNA)
where:
Base-Base interactions energy: -102.690
where: short stacking energy: -57.131
Base-Backbone interact. energy: -0.133
local terms energy: -71.078756
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -16.179
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -15.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -101.267324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.267324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.267324 (E_RNA)
where:
Base-Base interactions energy: -48.496
where: short stacking energy: -31.770
Base-Backbone interact. energy: -0.082
local terms energy: -52.689870
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -19.872
flat angles C4'-P-C4' energy: -12.139
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: 1.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -91.141013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.141013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.141013 (E_RNA)
where:
Base-Base interactions energy: -41.300
where: short stacking energy: -22.618
Base-Backbone interact. energy: -0.241
local terms energy: -49.600225
where:
bonds (distance) C4'-P energy: -6.949
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -18.092
flat angles P-C4'-P energy: -6.183
tors. eta vs tors. theta energy: -2.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -91.681768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.681768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.681768 (E_RNA)
where:
Base-Base interactions energy: -39.488
where: short stacking energy: -26.345
Base-Backbone interact. energy: -0.693
local terms energy: -51.500176
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -7.825
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -5.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -91.588151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.588151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.588151 (E_RNA)
where:
Base-Base interactions energy: -35.518
where: short stacking energy: -35.518
Base-Backbone interact. energy: -0.088
local terms energy: -55.981852
where:
bonds (distance) C4'-P energy: -9.653
bonds (distance) P-C4' energy: -18.185
flat angles C4'-P-C4' energy: -12.185
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -8.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -260.712479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.712479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.712479 (E_RNA)
where:
Base-Base interactions energy: -171.607
where: short stacking energy: -87.622
Base-Backbone interact. energy: -0.815
local terms energy: -88.289962
where:
bonds (distance) C4'-P energy: -18.239
bonds (distance) P-C4' energy: -15.490
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -26.866
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: 226
Temperature: 0.950000
Total energy: -249.793746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.793746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.793746 (E_RNA)
where:
Base-Base interactions energy: -166.915
where: short stacking energy: -74.995
Base-Backbone interact. energy: -2.056
local terms energy: -80.823115
where:
bonds (distance) C4'-P energy: -17.836
bonds (distance) P-C4' energy: -12.509
flat angles C4'-P-C4' energy: -16.607
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -23.607
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: 3, replica: 10
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -226.773032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.773032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.773032 (E_RNA)
where:
Base-Base interactions energy: -151.492
where: short stacking energy: -66.354
Base-Backbone interact. energy: 0.215
local terms energy: -75.495434
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -11.199
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -22.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -225.814110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.814110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.814110 (E_RNA)
where:
Base-Base interactions energy: -152.043
where: short stacking energy: -72.901
Base-Backbone interact. energy: -0.250
local terms energy: -73.521660
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -19.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -169.935939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.935939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.935939 (E_RNA)
where:
Base-Base interactions energy: -101.454
where: short stacking energy: -46.221
Base-Backbone interact. energy: -0.781
local terms energy: -67.700728
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -6.296
tors. eta vs tors. theta energy: -15.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -198.858443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.858443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.858443 (E_RNA)
where:
Base-Base interactions energy: -125.020
where: short stacking energy: -59.146
Base-Backbone interact. energy: 0.027
local terms energy: -73.865375
where:
bonds (distance) C4'-P energy: -17.223
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -7.522
tors. eta vs tors. theta energy: -18.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -105.053302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.053302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.053302 (E_RNA)
where:
Base-Base interactions energy: -42.626
where: short stacking energy: -36.997
Base-Backbone interact. energy: -0.172
local terms energy: -62.255184
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -17.631
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -7.323
tors. eta vs tors. theta energy: -10.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -117.579231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.579231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.579231 (E_RNA)
where:
Base-Base interactions energy: -59.162
where: short stacking energy: -29.062
Base-Backbone interact. energy: -0.650
local terms energy: -57.767778
where:
bonds (distance) C4'-P energy: -17.352
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -8.280
tors. eta vs tors. theta energy: -3.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -86.557251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.557251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.557251 (E_RNA)
where:
Base-Base interactions energy: -37.871
where: short stacking energy: -28.329
Base-Backbone interact. energy: 1.116
local terms energy: -49.802320
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -12.804
flat angles C4'-P-C4' energy: -10.879
flat angles P-C4'-P energy: -9.923
tors. eta vs tors. theta energy: -0.799
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: 3
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -77.360971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.360971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.360971 (E_RNA)
where:
Base-Base interactions energy: -27.407
where: short stacking energy: -27.407
Base-Backbone interact. energy: -0.145
local terms energy: -49.809140
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -13.551
flat angles C4'-P-C4' energy: -14.474
flat angles P-C4'-P energy: -6.685
tors. eta vs tors. theta energy: -3.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -260.123240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.123240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.123240 (E_RNA)
where:
Base-Base interactions energy: -169.200
where: short stacking energy: -74.687
Base-Backbone interact. energy: -0.292
local terms energy: -90.631371
where:
bonds (distance) C4'-P energy: -18.760
bonds (distance) P-C4' energy: -16.695
flat angles C4'-P-C4' energy: -18.907
flat angles P-C4'-P energy: -12.696
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: 2, replica: 10
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -236.939711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.939711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.939711 (E_RNA)
where:
Base-Base interactions energy: -157.214
where: short stacking energy: -73.426
Base-Backbone interact. energy: -0.087
local terms energy: -79.639266
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -12.416
tors. eta vs tors. theta energy: -19.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -258.948236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.948236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.948236 (E_RNA)
where:
Base-Base interactions energy: -165.471
where: short stacking energy: -87.843
Base-Backbone interact. energy: -0.540
local terms energy: -92.937404
where:
bonds (distance) C4'-P energy: -14.266
bonds (distance) P-C4' energy: -20.662
flat angles C4'-P-C4' energy: -20.321
flat angles P-C4'-P energy: -13.717
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: 4, replica: 1
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -216.114621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.114621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.114621 (E_RNA)
where:
Base-Base interactions energy: -138.152
where: short stacking energy: -54.007
Base-Backbone interact. energy: -0.059
local terms energy: -77.903950
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -19.613
flat angles C4'-P-C4' energy: -19.114
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -12.605
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: 5, replica: 7
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -194.678294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.678294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.678294 (E_RNA)
where:
Base-Base interactions energy: -118.137
where: short stacking energy: -57.198
Base-Backbone interact. energy: -0.003
local terms energy: -76.539045
where:
bonds (distance) C4'-P energy: -15.339
bonds (distance) P-C4' energy: -13.618
flat angles C4'-P-C4' energy: -14.922
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -21.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -198.572778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.572778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.572778 (E_RNA)
where:
Base-Base interactions energy: -122.429
where: short stacking energy: -62.807
Base-Backbone interact. energy: -0.004
local terms energy: -76.138952
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -17.515
flat angles C4'-P-C4' energy: -18.389
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -16.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -100.177612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.177612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.177612 (E_RNA)
where:
Base-Base interactions energy: -30.532
where: short stacking energy: -30.532
Base-Backbone interact. energy: -0.070
local terms energy: -69.576081
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -19.513
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: -8.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -108.889921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.889921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.889921 (E_RNA)
where:
Base-Base interactions energy: -52.289
where: short stacking energy: -34.610
Base-Backbone interact. energy: -0.363
local terms energy: -56.237986
where:
bonds (distance) C4'-P energy: -16.463
bonds (distance) P-C4' energy: -13.656
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -5.648
tors. eta vs tors. theta energy: -7.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -78.847685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.847685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.847685 (E_RNA)
where:
Base-Base interactions energy: -28.239
where: short stacking energy: -23.466
Base-Backbone interact. energy: -0.268
local terms energy: -50.340665
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -18.795
flat angles C4'-P-C4' energy: -10.650
flat angles P-C4'-P energy: -7.593
tors. eta vs tors. theta energy: 0.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -81.167123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.167123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.167123 (E_RNA)
where:
Base-Base interactions energy: -24.209
where: short stacking energy: -24.209
Base-Backbone interact. energy: -0.454
local terms energy: -56.504922
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -19.005
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -9.007
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: 1, replica: 6
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -254.541096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.541096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.541096 (E_RNA)
where:
Base-Base interactions energy: -165.104
where: short stacking energy: -72.367
Base-Backbone interact. energy: -0.072
local terms energy: -89.365636
where:
bonds (distance) C4'-P energy: -14.709
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -18.722
flat angles P-C4'-P energy: -14.745
tors. eta vs tors. theta energy: -22.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -232.906039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.906039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.906039 (E_RNA)
where:
Base-Base interactions energy: -155.547
where: short stacking energy: -68.425
Base-Backbone interact. energy: -0.189
local terms energy: -77.170815
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -16.970
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -19.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -246.796076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.796076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.796076 (E_RNA)
where:
Base-Base interactions energy: -170.346
where: short stacking energy: -72.233
Base-Backbone interact. energy: -0.046
local terms energy: -76.403644
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -18.271
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -17.296
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: 4, replica: 1
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -223.917934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.917934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.917934 (E_RNA)
where:
Base-Base interactions energy: -141.348
where: short stacking energy: -62.880
Base-Backbone interact. energy: -0.162
local terms energy: -82.407963
where:
bonds (distance) C4'-P energy: -17.841
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -9.625
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: 5, replica: 7
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -192.309150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.309150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.309150 (E_RNA)
where:
Base-Base interactions energy: -119.082
where: short stacking energy: -53.807
Base-Backbone interact. energy: -0.415
local terms energy: -72.812058
where:
bonds (distance) C4'-P energy: -17.792
bonds (distance) P-C4' energy: -18.237
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -6.823
tors. eta vs tors. theta energy: -14.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -157.289442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.289442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.289442 (E_RNA)
where:
Base-Base interactions energy: -96.181
where: short stacking energy: -45.124
Base-Backbone interact. energy: -0.688
local terms energy: -60.420532
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -18.399
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -5.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -150.757439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.757439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.757439 (E_RNA)
where:
Base-Base interactions energy: -91.765
where: short stacking energy: -52.532
Base-Backbone interact. energy: -0.034
local terms energy: -58.958032
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -12.612
flat angles C4'-P-C4' energy: -10.890
flat angles P-C4'-P energy: -8.510
tors. eta vs tors. theta energy: -13.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -96.675002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.675002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.675002 (E_RNA)
where:
Base-Base interactions energy: -40.168
where: short stacking energy: -40.120
Base-Backbone interact. energy: -0.254
local terms energy: -56.252982
where:
bonds (distance) C4'-P energy: -9.752
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -5.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -90.367213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.367213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.367213 (E_RNA)
where:
Base-Base interactions energy: -44.519
where: short stacking energy: -21.994
Base-Backbone interact. energy: 0.030
local terms energy: -45.878549
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -7.529
tors. eta vs tors. theta energy: 3.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -75.601581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.601581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.601581 (E_RNA)
where:
Base-Base interactions energy: -25.157
where: short stacking energy: -25.046
Base-Backbone interact. energy: -0.341
local terms energy: -50.102895
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -17.285
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -3.804
tors. eta vs tors. theta energy: 0.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -250.163934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.163934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.163934 (E_RNA)
where:
Base-Base interactions energy: -163.611
where: short stacking energy: -74.389
Base-Backbone interact. energy: -0.001
local terms energy: -86.552277
where:
bonds (distance) C4'-P energy: -17.977
bonds (distance) P-C4' energy: -17.680
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: -21.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -255.986569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.986569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.986569 (E_RNA)
where:
Base-Base interactions energy: -171.162
where: short stacking energy: -81.201
Base-Backbone interact. energy: 0.366
local terms energy: -85.191288
where:
bonds (distance) C4'-P energy: -18.827
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -14.916
tors. eta vs tors. theta energy: -20.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -226.675648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.675648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.675648 (E_RNA)
where:
Base-Base interactions energy: -147.413
where: short stacking energy: -69.597
Base-Backbone interact. energy: -0.069
local terms energy: -79.193244
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -17.321
flat angles C4'-P-C4' energy: -20.560
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -16.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -231.304618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.304618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.304618 (E_RNA)
where:
Base-Base interactions energy: -152.067
where: short stacking energy: -71.311
Base-Backbone interact. energy: 0.344
local terms energy: -79.582121
where:
bonds (distance) C4'-P energy: -13.624
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -18.936
flat angles P-C4'-P energy: -10.928
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: 5, replica: 7
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -201.699376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.699376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.699376 (E_RNA)
where:
Base-Base interactions energy: -117.691
where: short stacking energy: -56.219
Base-Backbone interact. energy: -1.158
local terms energy: -82.851066
where:
bonds (distance) C4'-P energy: -19.945
bonds (distance) P-C4' energy: -19.069
flat angles C4'-P-C4' energy: -18.497
flat angles P-C4'-P energy: -6.173
tors. eta vs tors. theta energy: -19.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -150.121475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.121475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.121475 (E_RNA)
where:
Base-Base interactions energy: -82.114
where: short stacking energy: -31.625
Base-Backbone interact. energy: -0.216
local terms energy: -67.791649
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -17.497
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -10.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -159.124314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.124314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.124314 (E_RNA)
where:
Base-Base interactions energy: -83.746
where: short stacking energy: -47.411
Base-Backbone interact. energy: -0.001
local terms energy: -75.376547
where:
bonds (distance) C4'-P energy: -16.600
bonds (distance) P-C4' energy: -16.490
flat angles C4'-P-C4' energy: -17.841
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -14.065
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: 3
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -81.400394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.400394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.400394 (E_RNA)
where:
Base-Base interactions energy: -29.589
where: short stacking energy: -25.141
Base-Backbone interact. energy: 0.401
local terms energy: -52.212758
where:
bonds (distance) C4'-P energy: -13.170
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -4.916
tors. eta vs tors. theta energy: -5.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -95.379896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.379896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.379896 (E_RNA)
where:
Base-Base interactions energy: -42.642
where: short stacking energy: -29.486
Base-Backbone interact. energy: -0.508
local terms energy: -52.230314
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -15.139
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -6.864
tors. eta vs tors. theta energy: -2.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -81.654237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.654237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.654237 (E_RNA)
where:
Base-Base interactions energy: -23.934
where: short stacking energy: -23.774
Base-Backbone interact. energy: -0.167
local terms energy: -57.553561
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -16.806
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -3.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -265.098148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.098148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.098148 (E_RNA)
where:
Base-Base interactions energy: -174.095
where: short stacking energy: -72.945
Base-Backbone interact. energy: -0.158
local terms energy: -90.845522
where:
bonds (distance) C4'-P energy: -20.516
bonds (distance) P-C4' energy: -14.256
flat angles C4'-P-C4' energy: -18.877
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -25.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -257.999585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.999585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.999585 (E_RNA)
where:
Base-Base interactions energy: -169.563
where: short stacking energy: -79.003
Base-Backbone interact. energy: -0.001
local terms energy: -88.435849
where:
bonds (distance) C4'-P energy: -18.433
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -19.135
flat angles P-C4'-P energy: -13.288
tors. eta vs tors. theta energy: -22.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -244.890718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.890718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.890718 (E_RNA)
where:
Base-Base interactions energy: -152.837
where: short stacking energy: -73.193
Base-Backbone interact. energy: -0.245
local terms energy: -91.808567
where:
bonds (distance) C4'-P energy: -19.840
bonds (distance) P-C4' energy: -18.706
flat angles C4'-P-C4' energy: -19.084
flat angles P-C4'-P energy: -15.022
tors. eta vs tors. theta energy: -19.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -234.143957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.143957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.143957 (E_RNA)
where:
Base-Base interactions energy: -152.580
where: short stacking energy: -69.533
Base-Backbone interact. energy: -0.080
local terms energy: -81.484304
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -20.014
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -15.861
tors. eta vs tors. theta energy: -17.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -191.505706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.505706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.505706 (E_RNA)
where:
Base-Base interactions energy: -117.110
where: short stacking energy: -48.459
Base-Backbone interact. energy: 0.705
local terms energy: -75.100937
where:
bonds (distance) C4'-P energy: -10.601
bonds (distance) P-C4' energy: -18.630
flat angles C4'-P-C4' energy: -18.349
flat angles P-C4'-P energy: -13.403
tors. eta vs tors. theta energy: -14.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -106.136103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.136103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.136103 (E_RNA)
where:
Base-Base interactions energy: -49.462
where: short stacking energy: -23.940
Base-Backbone interact. energy: -0.563
local terms energy: -56.110395
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -0.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -160.116680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.116680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.116680 (E_RNA)
where:
Base-Base interactions energy: -97.093
where: short stacking energy: -52.265
Base-Backbone interact. energy: -0.359
local terms energy: -62.664591
where:
bonds (distance) C4'-P energy: -12.589
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -11.896
flat angles P-C4'-P energy: -7.937
tors. eta vs tors. theta energy: -15.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -99.740877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.740877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.740877 (E_RNA)
where:
Base-Base interactions energy: -36.151
where: short stacking energy: -28.240
Base-Backbone interact. energy: -0.006
local terms energy: -63.583894
where:
bonds (distance) C4'-P energy: -10.728
bonds (distance) P-C4' energy: -18.591
flat angles C4'-P-C4' energy: -12.811
flat angles P-C4'-P energy: -13.211
tors. eta vs tors. theta energy: -8.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -82.137338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.137338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.137338 (E_RNA)
where:
Base-Base interactions energy: -32.005
where: short stacking energy: -28.710
Base-Backbone interact. energy: -0.203
local terms energy: -49.929270
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -11.812
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -7.038
tors. eta vs tors. theta energy: -2.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -82.366355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.366355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.366355 (E_RNA)
where:
Base-Base interactions energy: -25.314
where: short stacking energy: -22.965
Base-Backbone interact. energy: -0.198
local terms energy: -56.854390
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -18.589
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: 0.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -259.594579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.594579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.594579 (E_RNA)
where:
Base-Base interactions energy: -172.412
where: short stacking energy: -78.939
Base-Backbone interact. energy: -0.046
local terms energy: -87.136768
where:
bonds (distance) C4'-P energy: -17.447
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -19.201
flat angles P-C4'-P energy: -12.266
tors. eta vs tors. theta energy: -21.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -251.524138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.524138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.524138 (E_RNA)
where:
Base-Base interactions energy: -163.765
where: short stacking energy: -79.097
Base-Backbone interact. energy: -0.003
local terms energy: -87.756397
where:
bonds (distance) C4'-P energy: -18.099
bonds (distance) P-C4' energy: -18.101
flat angles C4'-P-C4' energy: -18.383
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -22.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -233.544490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.544490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.544490 (E_RNA)
where:
Base-Base interactions energy: -154.797
where: short stacking energy: -74.544
Base-Backbone interact. energy: -0.164
local terms energy: -78.583082
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -13.353
tors. eta vs tors. theta energy: -19.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -218.632051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.632051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.632051 (E_RNA)
where:
Base-Base interactions energy: -137.477
where: short stacking energy: -59.485
Base-Backbone interact. energy: 0.775
local terms energy: -81.929597
where:
bonds (distance) C4'-P energy: -18.889
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -20.859
flat angles P-C4'-P energy: -13.023
tors. eta vs tors. theta energy: -11.173
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: 7
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -186.652313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.652313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.652313 (E_RNA)
where:
Base-Base interactions energy: -105.284
where: short stacking energy: -56.123
Base-Backbone interact. energy: -0.236
local terms energy: -81.132024
where:
bonds (distance) C4'-P energy: -14.096
bonds (distance) P-C4' energy: -18.675
flat angles C4'-P-C4' energy: -17.807
flat angles P-C4'-P energy: -13.385
tors. eta vs tors. theta energy: -17.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -145.289896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.289896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.289896 (E_RNA)
where:
Base-Base interactions energy: -85.584
where: short stacking energy: -35.633
Base-Backbone interact. energy: -0.240
local terms energy: -59.465955
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -17.311
flat angles C4'-P-C4' energy: -11.557
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -7.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -107.842263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.842263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.842263 (E_RNA)
where:
Base-Base interactions energy: -49.683
where: short stacking energy: -32.207
Base-Backbone interact. energy: -0.666
local terms energy: -57.493447
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -14.527
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -14.729
tors. eta vs tors. theta energy: 0.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -91.011611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.011611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.011611 (E_RNA)
where:
Base-Base interactions energy: -34.016
where: short stacking energy: -31.284
Base-Backbone interact. energy: -0.600
local terms energy: -56.396026
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -9.377
flat angles C4'-P-C4' energy: -13.316
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -8.105
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: 5
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -81.714120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.714120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.714120 (E_RNA)
where:
Base-Base interactions energy: -34.348
where: short stacking energy: -30.928
Base-Backbone interact. energy: -0.259
local terms energy: -47.106513
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -12.551
flat angles P-C4'-P energy: -5.204
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: 10, replica: 2
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -83.114620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.114620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.114620 (E_RNA)
where:
Base-Base interactions energy: -20.506
where: short stacking energy: -17.275
Base-Backbone interact. energy: -0.117
local terms energy: -62.492000
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -19.972
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -0.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -259.495941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.495941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.495941 (E_RNA)
where:
Base-Base interactions energy: -167.012
where: short stacking energy: -84.415
Base-Backbone interact. energy: -0.058
local terms energy: -92.426143
where:
bonds (distance) C4'-P energy: -18.889
bonds (distance) P-C4' energy: -12.503
flat angles C4'-P-C4' energy: -19.747
flat angles P-C4'-P energy: -13.970
tors. eta vs tors. theta energy: -27.317
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: 2, replica: 9
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -257.584516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.584516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.584516 (E_RNA)
where:
Base-Base interactions energy: -168.285
where: short stacking energy: -79.995
Base-Backbone interact. energy: -0.009
local terms energy: -89.290433
where:
bonds (distance) C4'-P energy: -15.951
bonds (distance) P-C4' energy: -17.634
flat angles C4'-P-C4' energy: -19.080
flat angles P-C4'-P energy: -14.301
tors. eta vs tors. theta energy: -22.324
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: 10
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -234.777155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.777155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.777155 (E_RNA)
where:
Base-Base interactions energy: -152.003
where: short stacking energy: -72.549
Base-Backbone interact. energy: -0.204
local terms energy: -82.569980
where:
bonds (distance) C4'-P energy: -12.705
bonds (distance) P-C4' energy: -19.749
flat angles C4'-P-C4' energy: -18.344
flat angles P-C4'-P energy: -12.032
tors. eta vs tors. theta energy: -19.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -221.673541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.673541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.673541 (E_RNA)
where:
Base-Base interactions energy: -146.551
where: short stacking energy: -64.756
Base-Backbone interact. energy: -0.103
local terms energy: -75.019940
where:
bonds (distance) C4'-P energy: -15.673
bonds (distance) P-C4' energy: -17.115
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -7.309
tors. eta vs tors. theta energy: -19.886
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: 7
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -175.604016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.604016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.604016 (E_RNA)
where:
Base-Base interactions energy: -107.251
where: short stacking energy: -60.235
Base-Backbone interact. energy: -0.245
local terms energy: -68.108048
where:
bonds (distance) C4'-P energy: -6.940
bonds (distance) P-C4' energy: -18.083
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -13.539
tors. eta vs tors. theta energy: -15.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -140.420213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.420213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.420213 (E_RNA)
where:
Base-Base interactions energy: -84.621
where: short stacking energy: -33.419
Base-Backbone interact. energy: -0.875
local terms energy: -54.923859
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -13.739
flat angles C4'-P-C4' energy: -16.933
flat angles P-C4'-P energy: -5.693
tors. eta vs tors. theta energy: -4.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -110.134849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.134849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.134849 (E_RNA)
where:
Base-Base interactions energy: -51.705
where: short stacking energy: -51.705
Base-Backbone interact. energy: -0.115
local terms energy: -58.315438
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -6.449
tors. eta vs tors. theta energy: -8.587
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: 8
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -93.623617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.623617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.623617 (E_RNA)
where:
Base-Base interactions energy: -40.452
where: short stacking energy: -24.740
Base-Backbone interact. energy: -0.245
local terms energy: -52.926551
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -15.221
flat angles C4'-P-C4' energy: -12.821
flat angles P-C4'-P energy: -7.217
tors. eta vs tors. theta energy: -1.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -81.625290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.625290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.625290 (E_RNA)
where:
Base-Base interactions energy: -27.427
where: short stacking energy: -18.918
Base-Backbone interact. energy: -0.326
local terms energy: -53.872194
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -10.492
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -3.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -88.779851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.779851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.779851 (E_RNA)
where:
Base-Base interactions energy: -33.200
where: short stacking energy: -18.071
Base-Backbone interact. energy: -1.640
local terms energy: -53.939853
where:
bonds (distance) C4'-P energy: -17.186
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -12.267
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: 0.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -261.914736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.914736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.914736 (E_RNA)
where:
Base-Base interactions energy: -170.140
where: short stacking energy: -71.239
Base-Backbone interact. energy: -0.642
local terms energy: -91.133355
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -18.237
flat angles C4'-P-C4' energy: -20.044
flat angles P-C4'-P energy: -12.348
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: 9
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -262.944695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.944695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.944695 (E_RNA)
where:
Base-Base interactions energy: -172.843
where: short stacking energy: -80.277
Base-Backbone interact. energy: -1.237
local terms energy: -88.864013
where:
bonds (distance) C4'-P energy: -17.862
bonds (distance) P-C4' energy: -16.859
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -15.095
tors. eta vs tors. theta energy: -23.945
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: 10
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -235.702005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.702005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.702005 (E_RNA)
where:
Base-Base interactions energy: -153.763
where: short stacking energy: -68.453
Base-Backbone interact. energy: -0.321
local terms energy: -81.618372
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -19.274
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -15.405
tors. eta vs tors. theta energy: -16.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -185.186125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.186125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.186125 (E_RNA)
where:
Base-Base interactions energy: -112.168
where: short stacking energy: -48.746
Base-Backbone interact. energy: -0.830
local terms energy: -72.188267
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -16.912
flat angles C4'-P-C4' energy: -12.734
flat angles P-C4'-P energy: -13.150
tors. eta vs tors. theta energy: -13.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -217.066271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.066271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.066271 (E_RNA)
where:
Base-Base interactions energy: -137.575
where: short stacking energy: -56.535
Base-Backbone interact. energy: -0.147
local terms energy: -79.344425
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -18.385
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: -16.444
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: 4
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -154.814421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.814421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.814421 (E_RNA)
where:
Base-Base interactions energy: -79.593
where: short stacking energy: -47.221
Base-Backbone interact. energy: 0.687
local terms energy: -75.908528
where:
bonds (distance) C4'-P energy: -17.742
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -18.328
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -14.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -104.166510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.166510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.166510 (E_RNA)
where:
Base-Base interactions energy: -35.704
where: short stacking energy: -35.704
Base-Backbone interact. energy: -0.130
local terms energy: -68.332846
where:
bonds (distance) C4'-P energy: -18.244
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -6.730
tors. eta vs tors. theta energy: -8.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -91.830590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.830590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.830590 (E_RNA)
where:
Base-Base interactions energy: -32.003
where: short stacking energy: -31.796
Base-Backbone interact. energy: 0.172
local terms energy: -59.999753
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: -2.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -83.272647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.272647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.272647 (E_RNA)
where:
Base-Base interactions energy: -31.239
where: short stacking energy: -21.524
Base-Backbone interact. energy: -0.350
local terms energy: -51.683822
where:
bonds (distance) C4'-P energy: -10.616
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -11.534
tors. eta vs tors. theta energy: -0.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -84.789172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.789172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.789172 (E_RNA)
where:
Base-Base interactions energy: -34.996
where: short stacking energy: -34.023
Base-Backbone interact. energy: -0.219
local terms energy: -49.574206
where:
bonds (distance) C4'-P energy: -7.470
bonds (distance) P-C4' energy: -12.344
flat angles C4'-P-C4' energy: -19.378
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: 0.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -261.677813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.677813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.677813 (E_RNA)
where:
Base-Base interactions energy: -166.868
where: short stacking energy: -86.788
Base-Backbone interact. energy: -0.768
local terms energy: -94.042011
where:
bonds (distance) C4'-P energy: -18.306
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -13.644
tors. eta vs tors. theta energy: -28.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -256.656113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.656113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.656113 (E_RNA)
where:
Base-Base interactions energy: -163.490
where: short stacking energy: -79.963
Base-Backbone interact. energy: -0.033
local terms energy: -93.133369
where:
bonds (distance) C4'-P energy: -17.796
bonds (distance) P-C4' energy: -16.887
flat angles C4'-P-C4' energy: -18.012
flat angles P-C4'-P energy: -13.191
tors. eta vs tors. theta energy: -27.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -230.480475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.480475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.480475 (E_RNA)
where:
Base-Base interactions energy: -150.167
where: short stacking energy: -69.977
Base-Backbone interact. energy: -0.217
local terms energy: -80.095781
where:
bonds (distance) C4'-P energy: -17.845
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -17.524
flat angles P-C4'-P energy: -11.806
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: 4, replica: 7
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -193.130451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.130451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.130451 (E_RNA)
where:
Base-Base interactions energy: -126.111
where: short stacking energy: -46.280
Base-Backbone interact. energy: -0.481
local terms energy: -66.538475
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -13.309
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -15.088
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: 1
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -201.971899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.971899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.971899 (E_RNA)
where:
Base-Base interactions energy: -131.755
where: short stacking energy: -57.278
Base-Backbone interact. energy: -0.149
local terms energy: -70.067426
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -18.575
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -10.022
tors. eta vs tors. theta energy: -12.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -164.229262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.229262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.229262 (E_RNA)
where:
Base-Base interactions energy: -96.363
where: short stacking energy: -55.835
Base-Backbone interact. energy: -0.185
local terms energy: -67.681310
where:
bonds (distance) C4'-P energy: -15.110
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -17.220
flat angles P-C4'-P energy: -7.830
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: 7, replica: 5
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -114.500687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.500687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.500687 (E_RNA)
where:
Base-Base interactions energy: -56.527
where: short stacking energy: -31.391
Base-Backbone interact. energy: -0.917
local terms energy: -57.056888
where:
bonds (distance) C4'-P energy: -18.429
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -17.238
flat angles P-C4'-P energy: -4.777
tors. eta vs tors. theta energy: -0.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -86.510790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.510790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.510790 (E_RNA)
where:
Base-Base interactions energy: -32.085
where: short stacking energy: -29.319
Base-Backbone interact. energy: 1.888
local terms energy: -56.313765
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -19.337
flat angles C4'-P-C4' energy: -11.770
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -1.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -86.854710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.854710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.854710 (E_RNA)
where:
Base-Base interactions energy: -32.360
where: short stacking energy: -32.360
Base-Backbone interact. energy: 1.101
local terms energy: -55.595290
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -16.279
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -2.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -94.727088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.727088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.727088 (E_RNA)
where:
Base-Base interactions energy: -41.308
where: short stacking energy: -37.871
Base-Backbone interact. energy: -0.207
local terms energy: -53.211858
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -11.055
flat angles P-C4'-P energy: -6.278
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: 9
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -266.844560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.844560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.844560 (E_RNA)
where:
Base-Base interactions energy: -171.065
where: short stacking energy: -88.199
Base-Backbone interact. energy: -0.006
local terms energy: -95.773910
where:
bonds (distance) C4'-P energy: -17.303
bonds (distance) P-C4' energy: -17.151
flat angles C4'-P-C4' energy: -18.600
flat angles P-C4'-P energy: -14.454
tors. eta vs tors. theta energy: -28.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -258.787400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.787400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.787400 (E_RNA)
where:
Base-Base interactions energy: -168.103
where: short stacking energy: -83.220
Base-Backbone interact. energy: -0.001
local terms energy: -90.682582
where:
bonds (distance) C4'-P energy: -12.619
bonds (distance) P-C4' energy: -20.287
flat angles C4'-P-C4' energy: -19.189
flat angles P-C4'-P energy: -13.654
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: 10
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -231.165012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.165012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.165012 (E_RNA)
where:
Base-Base interactions energy: -143.866
where: short stacking energy: -58.784
Base-Backbone interact. energy: 0.037
local terms energy: -87.335418
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -19.902
flat angles C4'-P-C4' energy: -20.080
flat angles P-C4'-P energy: -13.082
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: 4, replica: 1
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -224.077402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.077402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.077402 (E_RNA)
where:
Base-Base interactions energy: -147.198
where: short stacking energy: -70.098
Base-Backbone interact. energy: -0.828
local terms energy: -76.051866
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -19.702
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: -18.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -199.908359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.908359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.908359 (E_RNA)
where:
Base-Base interactions energy: -124.900
where: short stacking energy: -49.355
Base-Backbone interact. energy: -0.230
local terms energy: -74.778600
where:
bonds (distance) C4'-P energy: -16.758
bonds (distance) P-C4' energy: -18.019
flat angles C4'-P-C4' energy: -11.653
flat angles P-C4'-P energy: -12.590
tors. eta vs tors. theta energy: -15.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -138.546400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.546400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.546400 (E_RNA)
where:
Base-Base interactions energy: -73.961
where: short stacking energy: -39.759
Base-Backbone interact. energy: -0.191
local terms energy: -64.394686
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -14.869
flat angles P-C4'-P energy: -12.578
tors. eta vs tors. theta energy: -4.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -145.762090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.762090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.762090 (E_RNA)
where:
Base-Base interactions energy: -81.035
where: short stacking energy: -39.985
Base-Backbone interact. energy: -0.245
local terms energy: -64.481926
where:
bonds (distance) C4'-P energy: -13.139
bonds (distance) P-C4' energy: -11.886
flat angles C4'-P-C4' energy: -19.940
flat angles P-C4'-P energy: -7.324
tors. eta vs tors. theta energy: -12.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -85.289409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.289409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.289409 (E_RNA)
where:
Base-Base interactions energy: -35.630
where: short stacking energy: -24.483
Base-Backbone interact. energy: -0.006
local terms energy: -49.653633
where:
bonds (distance) C4'-P energy: -15.604
bonds (distance) P-C4' energy: -13.196
flat angles C4'-P-C4' energy: -9.854
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -0.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -85.272311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.272311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.272311 (E_RNA)
where:
Base-Base interactions energy: -30.821
where: short stacking energy: -25.990
Base-Backbone interact. energy: 0.689
local terms energy: -55.139768
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -17.715
flat angles P-C4'-P energy: -7.948
tors. eta vs tors. theta energy: -0.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -88.017781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.017781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.017781 (E_RNA)
where:
Base-Base interactions energy: -36.543
where: short stacking energy: -30.183
Base-Backbone interact. energy: -0.173
local terms energy: -51.301980
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -14.165
flat angles C4'-P-C4' energy: -14.923
flat angles P-C4'-P energy: -2.873
tors. eta vs tors. theta energy: -6.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -259.870528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.870528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.870528 (E_RNA)
where:
Base-Base interactions energy: -169.510
where: short stacking energy: -83.413
Base-Backbone interact. energy: -0.101
local terms energy: -90.259376
where:
bonds (distance) C4'-P energy: -16.453
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -19.067
flat angles P-C4'-P energy: -14.174
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: 2, replica: 9
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -250.642546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.642546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.642546 (E_RNA)
where:
Base-Base interactions energy: -163.788
where: short stacking energy: -72.542
Base-Backbone interact. energy: -0.044
local terms energy: -86.809757
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -19.256
flat angles C4'-P-C4' energy: -18.249
flat angles P-C4'-P energy: -13.856
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: 3, replica: 1
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -230.043680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.043680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.043680 (E_RNA)
where:
Base-Base interactions energy: -145.184
where: short stacking energy: -63.435
Base-Backbone interact. energy: 0.264
local terms energy: -85.124510
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -20.208
flat angles C4'-P-C4' energy: -17.620
flat angles P-C4'-P energy: -12.891
tors. eta vs tors. theta energy: -20.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -229.260072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.260072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.260072 (E_RNA)
where:
Base-Base interactions energy: -143.037
where: short stacking energy: -69.967
Base-Backbone interact. energy: 0.271
local terms energy: -86.494023
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -19.217
flat angles C4'-P-C4' energy: -18.746
flat angles P-C4'-P energy: -11.200
tors. eta vs tors. theta energy: -20.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -203.660824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.660824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.660824 (E_RNA)
where:
Base-Base interactions energy: -131.304
where: short stacking energy: -50.976
Base-Backbone interact. energy: -0.729
local terms energy: -71.628216
where:
bonds (distance) C4'-P energy: -19.829
bonds (distance) P-C4' energy: -18.728
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -1.020
tors. eta vs tors. theta energy: -15.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -146.892141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.892141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.892141 (E_RNA)
where:
Base-Base interactions energy: -91.359
where: short stacking energy: -49.448
Base-Backbone interact. energy: -0.135
local terms energy: -55.397990
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -10.054
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: -6.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -166.438289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.438289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.438289 (E_RNA)
where:
Base-Base interactions energy: -98.992
where: short stacking energy: -43.181
Base-Backbone interact. energy: -0.186
local terms energy: -67.260618
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -14.524
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -12.999
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: 2
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -99.493539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.493539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.493539 (E_RNA)
where:
Base-Base interactions energy: -36.979
where: short stacking energy: -25.167
Base-Backbone interact. energy: -0.961
local terms energy: -61.552940
where:
bonds (distance) C4'-P energy: -18.305
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -18.413
flat angles P-C4'-P energy: -8.510
tors. eta vs tors. theta energy: -1.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -85.241894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.241894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.241894 (E_RNA)
where:
Base-Base interactions energy: -30.796
where: short stacking energy: -30.796
Base-Backbone interact. energy: -0.207
local terms energy: -54.238603
where:
bonds (distance) C4'-P energy: -9.155
bonds (distance) P-C4' energy: -17.590
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -12.941
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: 3
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -84.832467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.832467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.832467 (E_RNA)
where:
Base-Base interactions energy: -29.038
where: short stacking energy: -26.860
Base-Backbone interact. energy: -0.207
local terms energy: -55.587651
where:
bonds (distance) C4'-P energy: -17.166
bonds (distance) P-C4' energy: -14.034
flat angles C4'-P-C4' energy: -12.457
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -2.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -253.234283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.234283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.234283 (E_RNA)
where:
Base-Base interactions energy: -169.074
where: short stacking energy: -75.014
Base-Backbone interact. energy: -0.061
local terms energy: -84.099054
where:
bonds (distance) C4'-P energy: -17.714
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -18.386
flat angles P-C4'-P energy: -12.184
tors. eta vs tors. theta energy: -17.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -258.120037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.120037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.120037 (E_RNA)
where:
Base-Base interactions energy: -165.990
where: short stacking energy: -77.435
Base-Backbone interact. energy: -2.486
local terms energy: -89.644863
where:
bonds (distance) C4'-P energy: -19.111
bonds (distance) P-C4' energy: -15.091
flat angles C4'-P-C4' energy: -20.151
flat angles P-C4'-P energy: -13.999
tors. eta vs tors. theta energy: -21.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -221.032288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.032288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.032288 (E_RNA)
where:
Base-Base interactions energy: -139.034
where: short stacking energy: -60.079
Base-Backbone interact. energy: -0.256
local terms energy: -81.742847
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -14.079
flat angles C4'-P-C4' energy: -19.370
flat angles P-C4'-P energy: -15.501
tors. eta vs tors. theta energy: -16.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -223.050451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.050451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.050451 (E_RNA)
where:
Base-Base interactions energy: -142.783
where: short stacking energy: -57.474
Base-Backbone interact. energy: -0.192
local terms energy: -80.075096
where:
bonds (distance) C4'-P energy: -16.526
bonds (distance) P-C4' energy: -17.594
flat angles C4'-P-C4' energy: -15.448
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -20.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -214.681834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.681834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.681834 (E_RNA)
where:
Base-Base interactions energy: -142.913
where: short stacking energy: -60.986
Base-Backbone interact. energy: -0.200
local terms energy: -71.568741
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -11.939
tors. eta vs tors. theta energy: -11.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -145.089049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.089049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.089049 (E_RNA)
where:
Base-Base interactions energy: -85.047
where: short stacking energy: -35.996
Base-Backbone interact. energy: 0.120
local terms energy: -60.162029
where:
bonds (distance) C4'-P energy: -16.609
bonds (distance) P-C4' energy: -18.304
flat angles C4'-P-C4' energy: -8.930
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -6.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -102.693228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.693228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.693228 (E_RNA)
where:
Base-Base interactions energy: -43.025
where: short stacking energy: -29.631
Base-Backbone interact. energy: -0.005
local terms energy: -59.663297
where:
bonds (distance) C4'-P energy: -15.355
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -3.849
tors. eta vs tors. theta energy: -7.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -97.672263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.672263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.672263 (E_RNA)
where:
Base-Base interactions energy: -34.886
where: short stacking energy: -33.550
Base-Backbone interact. energy: -0.007
local terms energy: -62.779216
where:
bonds (distance) C4'-P energy: -13.235
bonds (distance) P-C4' energy: -15.974
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -13.008
tors. eta vs tors. theta energy: -7.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -77.987242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.987242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.987242 (E_RNA)
where:
Base-Base interactions energy: -28.719
where: short stacking energy: -20.452
Base-Backbone interact. energy: -0.213
local terms energy: -49.055644
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -17.846
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -8.047
tors. eta vs tors. theta energy: 4.531
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: 3
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -88.939026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.939026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.939026 (E_RNA)
where:
Base-Base interactions energy: -32.332
where: short stacking energy: -29.628
Base-Backbone interact. energy: 0.815
local terms energy: -57.421828
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -20.000
flat angles C4'-P-C4' energy: -10.613
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -3.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -259.822344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.822344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.822344 (E_RNA)
where:
Base-Base interactions energy: -171.186
where: short stacking energy: -66.938
Base-Backbone interact. energy: -0.707
local terms energy: -87.928837
where:
bonds (distance) C4'-P energy: -16.848
bonds (distance) P-C4' energy: -20.151
flat angles C4'-P-C4' energy: -16.167
flat angles P-C4'-P energy: -14.357
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: 2, replica: 6
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -252.377683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.377683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.377683 (E_RNA)
where:
Base-Base interactions energy: -166.723
where: short stacking energy: -86.110
Base-Backbone interact. energy: -0.001
local terms energy: -85.653558
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -12.322
flat angles C4'-P-C4' energy: -18.707
flat angles P-C4'-P energy: -12.609
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: 1
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -225.304553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.304553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.304553 (E_RNA)
where:
Base-Base interactions energy: -150.211
where: short stacking energy: -58.428
Base-Backbone interact. energy: -0.253
local terms energy: -74.840268
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -14.732
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -17.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -212.000407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.000407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.000407 (E_RNA)
where:
Base-Base interactions energy: -134.824
where: short stacking energy: -50.240
Base-Backbone interact. energy: -0.916
local terms energy: -76.259701
where:
bonds (distance) C4'-P energy: -17.956
bonds (distance) P-C4' energy: -19.144
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -7.653
tors. eta vs tors. theta energy: -16.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -207.539523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.539523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.539523 (E_RNA)
where:
Base-Base interactions energy: -134.371
where: short stacking energy: -61.609
Base-Backbone interact. energy: -0.718
local terms energy: -72.450118
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -18.552
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -9.077
tors. eta vs tors. theta energy: -13.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -159.219146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.219146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.219146 (E_RNA)
where:
Base-Base interactions energy: -87.906
where: short stacking energy: -54.455
Base-Backbone interact. energy: -0.287
local terms energy: -71.026254
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -17.496
flat angles C4'-P-C4' energy: -20.394
flat angles P-C4'-P energy: -6.569
tors. eta vs tors. theta energy: -11.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -94.340029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.340029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.340029 (E_RNA)
where:
Base-Base interactions energy: -37.955
where: short stacking energy: -32.582
Base-Backbone interact. energy: 0.453
local terms energy: -56.837581
where:
bonds (distance) C4'-P energy: -9.196
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -6.679
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: 5
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -94.806744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.806744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.806744 (E_RNA)
where:
Base-Base interactions energy: -36.864
where: short stacking energy: -30.309
Base-Backbone interact. energy: -0.123
local terms energy: -57.819741
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -16.144
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -7.893
tors. eta vs tors. theta energy: -5.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -90.851714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.851714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.851714 (E_RNA)
where:
Base-Base interactions energy: -43.063
where: short stacking energy: -24.794
Base-Backbone interact. energy: -1.030
local terms energy: -46.759660
where:
bonds (distance) C4'-P energy: -5.612
bonds (distance) P-C4' energy: -17.881
flat angles C4'-P-C4' energy: -12.812
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -2.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -80.916613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.916613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.916613 (E_RNA)
where:
Base-Base interactions energy: -30.081
where: short stacking energy: -23.599
Base-Backbone interact. energy: -0.596
local terms energy: -50.239872
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -3.138
tors. eta vs tors. theta energy: -8.491
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: 1, replica: 9
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -257.381704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.381704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.381704 (E_RNA)
where:
Base-Base interactions energy: -167.678
where: short stacking energy: -83.568
Base-Backbone interact. energy: -0.001
local terms energy: -89.703110
where:
bonds (distance) C4'-P energy: -18.437
bonds (distance) P-C4' energy: -15.879
flat angles C4'-P-C4' energy: -17.184
flat angles P-C4'-P energy: -14.280
tors. eta vs tors. theta energy: -23.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -226.107472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.107472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.107472 (E_RNA)
where:
Base-Base interactions energy: -143.238
where: short stacking energy: -61.049
Base-Backbone interact. energy: -0.876
local terms energy: -81.993789
where:
bonds (distance) C4'-P energy: -17.078
bonds (distance) P-C4' energy: -19.495
flat angles C4'-P-C4' energy: -17.880
flat angles P-C4'-P energy: -13.178
tors. eta vs tors. theta energy: -14.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -250.441742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.441742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.441742 (E_RNA)
where:
Base-Base interactions energy: -158.028
where: short stacking energy: -78.362
Base-Backbone interact. energy: -0.552
local terms energy: -91.862436
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -17.500
flat angles C4'-P-C4' energy: -19.602
flat angles P-C4'-P energy: -14.642
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: 4, replica: 10
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -215.706308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.706308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.706308 (E_RNA)
where:
Base-Base interactions energy: -153.254
where: short stacking energy: -65.905
Base-Backbone interact. energy: -0.318
local terms energy: -62.134224
where:
bonds (distance) C4'-P energy: -7.195
bonds (distance) P-C4' energy: -12.787
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -17.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -208.287157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.287157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.287157 (E_RNA)
where:
Base-Base interactions energy: -133.388
where: short stacking energy: -51.935
Base-Backbone interact. energy: -0.361
local terms energy: -74.538779
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -19.769
flat angles P-C4'-P energy: -13.102
tors. eta vs tors. theta energy: -13.000
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: 4
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -148.450408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.450408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.450408 (E_RNA)
where:
Base-Base interactions energy: -86.588
where: short stacking energy: -33.558
Base-Backbone interact. energy: -0.317
local terms energy: -61.545734
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -19.478
flat angles C4'-P-C4' energy: -9.380
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -9.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -117.301193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.301193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.301193 (E_RNA)
where:
Base-Base interactions energy: -62.787
where: short stacking energy: -42.587
Base-Backbone interact. energy: 1.713
local terms energy: -56.227999
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -14.803
flat angles C4'-P-C4' energy: -8.753
flat angles P-C4'-P energy: -11.552
tors. eta vs tors. theta energy: -5.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -91.801036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.801036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.801036 (E_RNA)
where:
Base-Base interactions energy: -29.521
where: short stacking energy: -28.833
Base-Backbone interact. energy: 0.224
local terms energy: -62.503999
where:
bonds (distance) C4'-P energy: -18.665
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -9.712
flat angles P-C4'-P energy: -12.319
tors. eta vs tors. theta energy: -6.437
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: 5
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -91.410102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.410102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.410102 (E_RNA)
where:
Base-Base interactions energy: -31.353
where: short stacking energy: -31.353
Base-Backbone interact. energy: -0.110
local terms energy: -59.947121
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -13.844
flat angles C4'-P-C4' energy: -16.991
flat angles P-C4'-P energy: -10.522
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: 10, replica: 8
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -79.955787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.955787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.955787 (E_RNA)
where:
Base-Base interactions energy: -32.238
where: short stacking energy: -31.966
Base-Backbone interact. energy: -0.311
local terms energy: -47.407202
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -13.323
flat angles P-C4'-P energy: -6.805
tors. eta vs tors. theta energy: -1.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -260.944654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.944654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.944654 (E_RNA)
where:
Base-Base interactions energy: -165.775
where: short stacking energy: -84.847
Base-Backbone interact. energy: -1.022
local terms energy: -94.148368
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -18.308
flat angles C4'-P-C4' energy: -20.394
flat angles P-C4'-P energy: -14.762
tors. eta vs tors. theta energy: -25.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -238.847830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.847830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.847830 (E_RNA)
where:
Base-Base interactions energy: -147.782
where: short stacking energy: -73.400
Base-Backbone interact. energy: -0.260
local terms energy: -90.805262
where:
bonds (distance) C4'-P energy: -20.204
bonds (distance) P-C4' energy: -18.795
flat angles C4'-P-C4' energy: -17.586
flat angles P-C4'-P energy: -14.065
tors. eta vs tors. theta energy: -20.154
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: 6
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -254.784299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.784299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.784299 (E_RNA)
where:
Base-Base interactions energy: -165.814
where: short stacking energy: -76.375
Base-Backbone interact. energy: -0.009
local terms energy: -88.961485
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -17.997
flat angles P-C4'-P energy: -14.814
tors. eta vs tors. theta energy: -27.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -221.321564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.321564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.321564 (E_RNA)
where:
Base-Base interactions energy: -141.397
where: short stacking energy: -61.114
Base-Backbone interact. energy: 1.350
local terms energy: -81.274359
where:
bonds (distance) C4'-P energy: -17.324
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -19.827
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -15.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -185.956088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.956088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.956088 (E_RNA)
where:
Base-Base interactions energy: -110.849
where: short stacking energy: -48.510
Base-Backbone interact. energy: -1.135
local terms energy: -73.971533
where:
bonds (distance) C4'-P energy: -15.770
bonds (distance) P-C4' energy: -17.930
flat angles C4'-P-C4' energy: -17.403
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -11.562
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: 4
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -148.052421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.052421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.052421 (E_RNA)
where:
Base-Base interactions energy: -82.238
where: short stacking energy: -39.932
Base-Backbone interact. energy: -0.496
local terms energy: -65.318364
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -17.629
flat angles P-C4'-P energy: -13.506
tors. eta vs tors. theta energy: -9.864
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: 7, replica: 2
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -95.051825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.051825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.051825 (E_RNA)
where:
Base-Base interactions energy: -37.797
where: short stacking energy: -37.797
Base-Backbone interact. energy: -0.307
local terms energy: -56.948442
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -8.024
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: 8, replica: 3
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -93.313502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.313502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.313502 (E_RNA)
where:
Base-Base interactions energy: -27.716
where: short stacking energy: -24.518
Base-Backbone interact. energy: -0.691
local terms energy: -64.906281
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -20.211
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -2.296
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: 8
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -95.640926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.640926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.640926 (E_RNA)
where:
Base-Base interactions energy: -43.440
where: short stacking energy: -29.660
Base-Backbone interact. energy: 0.202
local terms energy: -52.402936
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -18.055
flat angles C4'-P-C4' energy: -10.866
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -1.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -94.186807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.186807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.186807 (E_RNA)
where:
Base-Base interactions energy: -32.802
where: short stacking energy: -27.096
Base-Backbone interact. energy: -0.170
local terms energy: -61.215531
where:
bonds (distance) C4'-P energy: -14.585
bonds (distance) P-C4' energy: -17.819
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -1.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -264.269602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.269602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.269602 (E_RNA)
where:
Base-Base interactions energy: -177.062
where: short stacking energy: -80.007
Base-Backbone interact. energy: -0.626
local terms energy: -86.580953
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -18.318
flat angles C4'-P-C4' energy: -18.485
flat angles P-C4'-P energy: -14.079
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: 2, replica: 6
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -251.036925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.036925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.036925 (E_RNA)
where:
Base-Base interactions energy: -164.300
where: short stacking energy: -79.865
Base-Backbone interact. energy: -0.293
local terms energy: -86.444247
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -19.978
flat angles P-C4'-P energy: -11.565
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: 3, replica: 1
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -227.614679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.614679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.614679 (E_RNA)
where:
Base-Base interactions energy: -145.585
where: short stacking energy: -67.360
Base-Backbone interact. energy: -0.738
local terms energy: -81.291554
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -19.476
flat angles P-C4'-P energy: -7.293
tors. eta vs tors. theta energy: -23.925
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: 10
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -218.496298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.496298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.496298 (E_RNA)
where:
Base-Base interactions energy: -149.479
where: short stacking energy: -62.851
Base-Backbone interact. energy: -0.276
local terms energy: -68.742032
where:
bonds (distance) C4'-P energy: -12.313
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -19.751
flat angles P-C4'-P energy: -7.388
tors. eta vs tors. theta energy: -14.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -190.288711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.288711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.288711 (E_RNA)
where:
Base-Base interactions energy: -119.285
where: short stacking energy: -59.081
Base-Backbone interact. energy: -0.171
local terms energy: -70.832291
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -6.689
tors. eta vs tors. theta energy: -15.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -161.016072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.016072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.016072 (E_RNA)
where:
Base-Base interactions energy: -86.736
where: short stacking energy: -49.625
Base-Backbone interact. energy: -1.261
local terms energy: -73.018422
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -19.647
flat angles C4'-P-C4' energy: -17.449
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -12.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -112.473315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.473315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.473315 (E_RNA)
where:
Base-Base interactions energy: -58.558
where: short stacking energy: -38.568
Base-Backbone interact. energy: -0.584
local terms energy: -53.331921
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -10.970
flat angles P-C4'-P energy: -7.837
tors. eta vs tors. theta energy: -5.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -99.165183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.165183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.165183 (E_RNA)
where:
Base-Base interactions energy: -43.212
where: short stacking energy: -25.460
Base-Backbone interact. energy: -0.501
local terms energy: -55.453042
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -14.572
flat angles C4'-P-C4' energy: -13.454
flat angles P-C4'-P energy: -10.240
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: 3
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -81.069319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.069319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.069319 (E_RNA)
where:
Base-Base interactions energy: -35.631
where: short stacking energy: -19.538
Base-Backbone interact. energy: -0.600
local terms energy: -44.838277
where:
bonds (distance) C4'-P energy: -7.872
bonds (distance) P-C4' energy: -17.772
flat angles C4'-P-C4' energy: -18.046
flat angles P-C4'-P energy: -3.936
tors. eta vs tors. theta energy: 2.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -79.425238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.425238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.425238 (E_RNA)
where:
Base-Base interactions energy: -24.781
where: short stacking energy: -20.179
Base-Backbone interact. energy: -0.269
local terms energy: -54.374682
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -11.641
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -0.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -252.956353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.956353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.956353 (E_RNA)
where:
Base-Base interactions energy: -167.390
where: short stacking energy: -73.147
Base-Backbone interact. energy: -0.161
local terms energy: -85.405520
where:
bonds (distance) C4'-P energy: -14.899
bonds (distance) P-C4' energy: -16.144
flat angles C4'-P-C4' energy: -20.092
flat angles P-C4'-P energy: -13.629
tors. eta vs tors. theta energy: -20.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -249.322440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.322440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.322440 (E_RNA)
where:
Base-Base interactions energy: -163.507
where: short stacking energy: -80.196
Base-Backbone interact. energy: -0.004
local terms energy: -85.811561
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -17.461
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -26.789
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: 10
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -220.070344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.070344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.070344 (E_RNA)
where:
Base-Base interactions energy: -139.910
where: short stacking energy: -61.713
Base-Backbone interact. energy: -0.479
local terms energy: -79.681369
where:
bonds (distance) C4'-P energy: -16.889
bonds (distance) P-C4' energy: -17.329
flat angles C4'-P-C4' energy: -20.274
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -14.148
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: 1
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -220.462454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.462454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.462454 (E_RNA)
where:
Base-Base interactions energy: -141.600
where: short stacking energy: -75.006
Base-Backbone interact. energy: 0.326
local terms energy: -79.189303
where:
bonds (distance) C4'-P energy: -17.717
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -18.600
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -20.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -185.508787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.508787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.508787 (E_RNA)
where:
Base-Base interactions energy: -114.394
where: short stacking energy: -46.830
Base-Backbone interact. energy: -0.125
local terms energy: -70.989659
where:
bonds (distance) C4'-P energy: -14.178
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -12.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -128.002208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.002208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.002208 (E_RNA)
where:
Base-Base interactions energy: -64.589
where: short stacking energy: -31.859
Base-Backbone interact. energy: -0.245
local terms energy: -63.168242
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -16.134
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -6.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -101.793763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.793763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.793763 (E_RNA)
where:
Base-Base interactions energy: -53.547
where: short stacking energy: -42.049
Base-Backbone interact. energy: -0.600
local terms energy: -47.646394
where:
bonds (distance) C4'-P energy: -8.131
bonds (distance) P-C4' energy: -14.056
flat angles C4'-P-C4' energy: -11.557
flat angles P-C4'-P energy: -4.802
tors. eta vs tors. theta energy: -9.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -91.976733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.976733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.976733 (E_RNA)
where:
Base-Base interactions energy: -35.297
where: short stacking energy: -35.024
Base-Backbone interact. energy: -1.014
local terms energy: -55.665686
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -14.599
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -8.648
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: 9, replica: 5
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -90.732545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.732545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.732545 (E_RNA)
where:
Base-Base interactions energy: -38.412
where: short stacking energy: -22.710
Base-Backbone interact. energy: -0.583
local terms energy: -51.737065
where:
bonds (distance) C4'-P energy: -11.072
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -11.251
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -0.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -88.919636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.919636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.919636 (E_RNA)
where:
Base-Base interactions energy: -37.340
where: short stacking energy: -33.030
Base-Backbone interact. energy: 0.177
local terms energy: -51.756973
where:
bonds (distance) C4'-P energy: -16.716
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -7.849
flat angles P-C4'-P energy: -7.717
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: 9
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -265.675992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.675992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.675992 (E_RNA)
where:
Base-Base interactions energy: -174.151
where: short stacking energy: -83.855
Base-Backbone interact. energy: -1.885
local terms energy: -89.640519
where:
bonds (distance) C4'-P energy: -16.364
bonds (distance) P-C4' energy: -17.325
flat angles C4'-P-C4' energy: -19.311
flat angles P-C4'-P energy: -13.141
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: 2, replica: 6
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -247.918489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.918489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.918489 (E_RNA)
where:
Base-Base interactions energy: -164.703
where: short stacking energy: -79.692
Base-Backbone interact. energy: -0.217
local terms energy: -82.998390
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -19.752
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -22.019
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: 10
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -215.145818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.145818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.145818 (E_RNA)
where:
Base-Base interactions energy: -140.906
where: short stacking energy: -54.448
Base-Backbone interact. energy: -0.332
local terms energy: -73.907615
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -18.895
flat angles C4'-P-C4' energy: -18.145
flat angles P-C4'-P energy: -7.360
tors. eta vs tors. theta energy: -14.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -206.683839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.683839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.683839 (E_RNA)
where:
Base-Base interactions energy: -131.869
where: short stacking energy: -61.818
Base-Backbone interact. energy: -2.778
local terms energy: -72.037176
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -11.727
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -18.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -183.907965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.907965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.907965 (E_RNA)
where:
Base-Base interactions energy: -112.113
where: short stacking energy: -55.697
Base-Backbone interact. energy: -0.400
local terms energy: -71.394829
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -16.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -102.506460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.506460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.506460 (E_RNA)
where:
Base-Base interactions energy: -37.098
where: short stacking energy: -32.150
Base-Backbone interact. energy: -1.307
local terms energy: -64.101313
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -7.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -95.314129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.314129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.314129 (E_RNA)
where:
Base-Base interactions energy: -40.441
where: short stacking energy: -24.228
Base-Backbone interact. energy: -0.823
local terms energy: -54.049520
where:
bonds (distance) C4'-P energy: -15.209
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -9.467
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: 8, replica: 5
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -93.180637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.180637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.180637 (E_RNA)
where:
Base-Base interactions energy: -34.336
where: short stacking energy: -25.676
Base-Backbone interact. energy: -0.183
local terms energy: -58.661609
where:
bonds (distance) C4'-P energy: -18.347
bonds (distance) P-C4' energy: -12.165
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -1.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -90.912304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.912304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.912304 (E_RNA)
where:
Base-Base interactions energy: -48.771
where: short stacking energy: -30.847
Base-Backbone interact. energy: -0.369
local terms energy: -41.772604
where:
bonds (distance) C4'-P energy: -10.999
bonds (distance) P-C4' energy: -13.287
flat angles C4'-P-C4' energy: -9.504
flat angles P-C4'-P energy: -6.915
tors. eta vs tors. theta energy: -1.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -89.908537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.908537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.908537 (E_RNA)
where:
Base-Base interactions energy: -33.829
where: short stacking energy: -25.326
Base-Backbone interact. energy: -0.037
local terms energy: -56.042769
where:
bonds (distance) C4'-P energy: -10.410
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -13.114
tors. eta vs tors. theta energy: -2.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -260.259277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.259277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.259277 (E_RNA)
where:
Base-Base interactions energy: -177.220
where: short stacking energy: -73.453
Base-Backbone interact. energy: -0.651
local terms energy: -82.388284
where:
bonds (distance) C4'-P energy: -17.879
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -12.871
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -25.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -239.195428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.195428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.195428 (E_RNA)
where:
Base-Base interactions energy: -151.697
where: short stacking energy: -74.569
Base-Backbone interact. energy: -0.009
local terms energy: -87.489230
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -17.635
flat angles C4'-P-C4' energy: -19.245
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -22.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -228.051905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.051905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.051905 (E_RNA)
where:
Base-Base interactions energy: -154.401
where: short stacking energy: -68.588
Base-Backbone interact. energy: 0.113
local terms energy: -73.763343
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -12.943
flat angles C4'-P-C4' energy: -18.289
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -18.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -199.005439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.005439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.005439 (E_RNA)
where:
Base-Base interactions energy: -121.943
where: short stacking energy: -51.361
Base-Backbone interact. energy: -0.174
local terms energy: -76.889000
where:
bonds (distance) C4'-P energy: -16.472
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -12.435
tors. eta vs tors. theta energy: -13.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -185.582085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.582085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.582085 (E_RNA)
where:
Base-Base interactions energy: -106.176
where: short stacking energy: -53.187
Base-Backbone interact. energy: -0.065
local terms energy: -79.340409
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -19.161
flat angles P-C4'-P energy: -13.777
tors. eta vs tors. theta energy: -15.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -98.239136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.239136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.239136 (E_RNA)
where:
Base-Base interactions energy: -46.080
where: short stacking energy: -37.350
Base-Backbone interact. energy: -1.045
local terms energy: -51.114873
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -9.912
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: 7, replica: 5
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -141.402970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.402970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.402970 (E_RNA)
where:
Base-Base interactions energy: -81.153
where: short stacking energy: -41.094
Base-Backbone interact. energy: -0.252
local terms energy: -59.998109
where:
bonds (distance) C4'-P energy: -9.046
bonds (distance) P-C4' energy: -19.678
flat angles C4'-P-C4' energy: -17.431
flat angles P-C4'-P energy: -7.227
tors. eta vs tors. theta energy: -6.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -99.752448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.752448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.752448 (E_RNA)
where:
Base-Base interactions energy: -44.714
where: short stacking energy: -27.188
Base-Backbone interact. energy: 0.441
local terms energy: -55.479540
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -13.036
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: 9, replica: 2
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -85.988243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.988243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.988243 (E_RNA)
where:
Base-Base interactions energy: -31.528
where: short stacking energy: -25.289
Base-Backbone interact. energy: -0.249
local terms energy: -54.210627
where:
bonds (distance) C4'-P energy: -15.006
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: -1.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -92.659032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.659032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.659032 (E_RNA)
where:
Base-Base interactions energy: -38.739
where: short stacking energy: -25.164
Base-Backbone interact. energy: -0.377
local terms energy: -53.542936
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -17.458
flat angles C4'-P-C4' energy: -9.361
flat angles P-C4'-P energy: -12.926
tors. eta vs tors. theta energy: 0.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -252.510533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.510533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.510533 (E_RNA)
where:
Base-Base interactions energy: -170.805
where: short stacking energy: -81.783
Base-Backbone interact. energy: -0.044
local terms energy: -81.662064
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -17.882
flat angles P-C4'-P energy: -14.063
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: 2, replica: 6
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -234.250372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.250372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.250372 (E_RNA)
where:
Base-Base interactions energy: -154.354
where: short stacking energy: -68.681
Base-Backbone interact. energy: -0.013
local terms energy: -79.882763
where:
bonds (distance) C4'-P energy: -16.773
bonds (distance) P-C4' energy: -15.357
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: -19.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -214.009857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.009857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.009857 (E_RNA)
where:
Base-Base interactions energy: -136.378
where: short stacking energy: -64.256
Base-Backbone interact. energy: -0.475
local terms energy: -77.156362
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -17.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -201.311232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.311232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.311232 (E_RNA)
where:
Base-Base interactions energy: -136.682
where: short stacking energy: -55.786
Base-Backbone interact. energy: -0.935
local terms energy: -63.693448
where:
bonds (distance) C4'-P energy: -17.675
bonds (distance) P-C4' energy: -16.123
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -6.049
tors. eta vs tors. theta energy: -9.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -186.765680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.765680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.765680 (E_RNA)
where:
Base-Base interactions energy: -114.518
where: short stacking energy: -51.402
Base-Backbone interact. energy: -0.207
local terms energy: -72.040296
where:
bonds (distance) C4'-P energy: -18.909
bonds (distance) P-C4' energy: -16.363
flat angles C4'-P-C4' energy: -18.333
flat angles P-C4'-P energy: -5.140
tors. eta vs tors. theta energy: -13.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -158.555005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.555005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.555005 (E_RNA)
where:
Base-Base interactions energy: -91.655
where: short stacking energy: -45.559
Base-Backbone interact. energy: -0.270
local terms energy: -66.629691
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -9.863
flat angles C4'-P-C4' energy: -16.824
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: -15.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -91.261833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.261833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.261833 (E_RNA)
where:
Base-Base interactions energy: -33.527
where: short stacking energy: -31.634
Base-Backbone interact. energy: -0.158
local terms energy: -57.577146
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -11.821
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -1.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -99.894403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.894403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.894403 (E_RNA)
where:
Base-Base interactions energy: -43.256
where: short stacking energy: -29.915
Base-Backbone interact. energy: -0.104
local terms energy: -56.534501
where:
bonds (distance) C4'-P energy: -9.667
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -11.536
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: 2
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -93.400742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.400742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.400742 (E_RNA)
where:
Base-Base interactions energy: -37.653
where: short stacking energy: -30.177
Base-Backbone interact. energy: -0.030
local terms energy: -55.717634
where:
bonds (distance) C4'-P energy: -17.866
bonds (distance) P-C4' energy: -19.052
flat angles C4'-P-C4' energy: -1.118
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -6.777
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: 3
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -87.985272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.985272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.985272 (E_RNA)
where:
Base-Base interactions energy: -39.940
where: short stacking energy: -14.354
Base-Backbone interact. energy: -0.323
local terms energy: -47.722871
where:
bonds (distance) C4'-P energy: -10.129
bonds (distance) P-C4' energy: -17.880
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -6.711
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: 6
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -258.783112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.783112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.783112 (E_RNA)
where:
Base-Base interactions energy: -166.623
where: short stacking energy: -77.274
Base-Backbone interact. energy: -1.674
local terms energy: -90.486142
where:
bonds (distance) C4'-P energy: -17.543
bonds (distance) P-C4' energy: -18.722
flat angles C4'-P-C4' energy: -18.365
flat angles P-C4'-P energy: -12.132
tors. eta vs tors. theta energy: -23.725
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: 9
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -251.603417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.603417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.603417 (E_RNA)
where:
Base-Base interactions energy: -173.865
where: short stacking energy: -80.632
Base-Backbone interact. energy: -0.039
local terms energy: -77.699918
where:
bonds (distance) C4'-P energy: -19.258
bonds (distance) P-C4' energy: -12.786
flat angles C4'-P-C4' energy: -17.486
flat angles P-C4'-P energy: -6.734
tors. eta vs tors. theta energy: -21.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -225.688994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.688994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.688994 (E_RNA)
where:
Base-Base interactions energy: -145.423
where: short stacking energy: -66.898
Base-Backbone interact. energy: -0.257
local terms energy: -80.008862
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -18.734
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -10.236
tors. eta vs tors. theta energy: -18.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -188.988149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.988149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.988149 (E_RNA)
where:
Base-Base interactions energy: -113.790
where: short stacking energy: -46.419
Base-Backbone interact. energy: -0.222
local terms energy: -74.976330
where:
bonds (distance) C4'-P energy: -17.959
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -17.222
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -15.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -182.969944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.969944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.969944 (E_RNA)
where:
Base-Base interactions energy: -109.669
where: short stacking energy: -49.449
Base-Backbone interact. energy: -0.186
local terms energy: -73.115100
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -18.485
flat angles C4'-P-C4' energy: -17.481
flat angles P-C4'-P energy: -9.274
tors. eta vs tors. theta energy: -12.893
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: 246
Temperature: 1.150000
Total energy: -170.991213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.991213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.991213 (E_RNA)
where:
Base-Base interactions energy: -94.890
where: short stacking energy: -54.166
Base-Backbone interact. energy: 0.109
local terms energy: -76.210642
where:
bonds (distance) C4'-P energy: -13.641
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -15.789
flat angles P-C4'-P energy: -12.827
tors. eta vs tors. theta energy: -16.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -139.198338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.198338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.198338 (E_RNA)
where:
Base-Base interactions energy: -78.213
where: short stacking energy: -33.111
Base-Backbone interact. energy: 0.574
local terms energy: -61.559137
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -16.856
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -3.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -84.239221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.239221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.239221 (E_RNA)
where:
Base-Base interactions energy: -34.053
where: short stacking energy: -31.777
Base-Backbone interact. energy: 0.926
local terms energy: -51.111466
where:
bonds (distance) C4'-P energy: -12.370
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -7.916
flat angles P-C4'-P energy: -9.745
tors. eta vs tors. theta energy: -5.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -85.985415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.985415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.985415 (E_RNA)
where:
Base-Base interactions energy: -31.727
where: short stacking energy: -18.354
Base-Backbone interact. energy: -0.197
local terms energy: -54.061099
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -1.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -81.194921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.194921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.194921 (E_RNA)
where:
Base-Base interactions energy: -24.542
where: short stacking energy: -18.942
Base-Backbone interact. energy: -0.754
local terms energy: -55.898922
where:
bonds (distance) C4'-P energy: -19.362
bonds (distance) P-C4' energy: -16.274
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -1.933
tors. eta vs tors. theta energy: -3.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -258.124488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.124488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.124488 (E_RNA)
where:
Base-Base interactions energy: -167.740
where: short stacking energy: -81.520
Base-Backbone interact. energy: -0.003
local terms energy: -90.381184
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -17.816
flat angles P-C4'-P energy: -14.473
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: 2, replica: 9
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -261.517328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.517328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.517328 (E_RNA)
where:
Base-Base interactions energy: -171.139
where: short stacking energy: -81.296
Base-Backbone interact. energy: -0.721
local terms energy: -89.658150
where:
bonds (distance) C4'-P energy: -16.443
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -17.197
flat angles P-C4'-P energy: -13.883
tors. eta vs tors. theta energy: -26.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -234.462189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.462189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.462189 (E_RNA)
where:
Base-Base interactions energy: -156.426
where: short stacking energy: -69.480
Base-Backbone interact. energy: -0.196
local terms energy: -77.840535
where:
bonds (distance) C4'-P energy: -15.147
bonds (distance) P-C4' energy: -13.419
flat angles C4'-P-C4' energy: -14.833
flat angles P-C4'-P energy: -13.298
tors. eta vs tors. theta energy: -21.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -187.995230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.995230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.995230 (E_RNA)
where:
Base-Base interactions energy: -107.630
where: short stacking energy: -56.258
Base-Backbone interact. energy: -1.005
local terms energy: -79.360020
where:
bonds (distance) C4'-P energy: -18.851
bonds (distance) P-C4' energy: -16.797
flat angles C4'-P-C4' energy: -20.059
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -14.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -191.678218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.678218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.678218 (E_RNA)
where:
Base-Base interactions energy: -121.373
where: short stacking energy: -55.572
Base-Backbone interact. energy: -0.407
local terms energy: -69.897477
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -18.351
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -10.544
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: 6, replica: 4
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -136.887820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.887820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.887820 (E_RNA)
where:
Base-Base interactions energy: -81.142
where: short stacking energy: -44.407
Base-Backbone interact. energy: 0.514
local terms energy: -56.260143
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -9.067
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -8.722
tors. eta vs tors. theta energy: -10.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -103.442758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.442758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.442758 (E_RNA)
where:
Base-Base interactions energy: -45.897
where: short stacking energy: -45.897
Base-Backbone interact. energy: -0.053
local terms energy: -57.493489
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -11.456
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -7.534
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: 247
Temperature: 1.250000
Total energy: -89.868749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.868749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.868749 (E_RNA)
where:
Base-Base interactions energy: -33.829
where: short stacking energy: -33.829
Base-Backbone interact. energy: -0.008
local terms energy: -56.031542
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -20.398
flat angles C4'-P-C4' energy: -10.840
flat angles P-C4'-P energy: -1.823
tors. eta vs tors. theta energy: -6.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -87.010232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.010232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.010232 (E_RNA)
where:
Base-Base interactions energy: -44.531
where: short stacking energy: -26.080
Base-Backbone interact. energy: -0.103
local terms energy: -42.376371
where:
bonds (distance) C4'-P energy: -9.764
bonds (distance) P-C4' energy: -12.480
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: 2.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -81.178623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.178623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.178623 (E_RNA)
where:
Base-Base interactions energy: -20.796
where: short stacking energy: -14.855
Base-Backbone interact. energy: -0.164
local terms energy: -60.218453
where:
bonds (distance) C4'-P energy: -18.751
bonds (distance) P-C4' energy: -18.423
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: 1.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -264.306830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.306830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.306830 (E_RNA)
where:
Base-Base interactions energy: -168.610
where: short stacking energy: -82.575
Base-Backbone interact. energy: -0.007
local terms energy: -95.689716
where:
bonds (distance) C4'-P energy: -18.110
bonds (distance) P-C4' energy: -20.374
flat angles C4'-P-C4' energy: -18.920
flat angles P-C4'-P energy: -15.335
tors. eta vs tors. theta energy: -22.950
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: 6
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -247.885721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.885721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.885721 (E_RNA)
where:
Base-Base interactions energy: -157.990
where: short stacking energy: -79.084
Base-Backbone interact. energy: -0.608
local terms energy: -89.287579
where:
bonds (distance) C4'-P energy: -18.322
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -14.188
tors. eta vs tors. theta energy: -22.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -235.166031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.166031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.166031 (E_RNA)
where:
Base-Base interactions energy: -152.562
where: short stacking energy: -73.672
Base-Backbone interact. energy: -0.063
local terms energy: -82.541019
where:
bonds (distance) C4'-P energy: -18.297
bonds (distance) P-C4' energy: -17.366
flat angles C4'-P-C4' energy: -17.034
flat angles P-C4'-P energy: -10.846
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: 4, replica: 7
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -203.011590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.011590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.011590 (E_RNA)
where:
Base-Base interactions energy: -124.887
where: short stacking energy: -55.992
Base-Backbone interact. energy: -0.085
local terms energy: -78.039778
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -19.538
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -10.096
tors. eta vs tors. theta energy: -14.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -215.805795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.805795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.805795 (E_RNA)
where:
Base-Base interactions energy: -135.936
where: short stacking energy: -57.647
Base-Backbone interact. energy: -0.196
local terms energy: -79.673119
where:
bonds (distance) C4'-P energy: -18.298
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -18.754
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -16.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -97.512772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.512772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.512772 (E_RNA)
where:
Base-Base interactions energy: -28.061
where: short stacking energy: -25.916
Base-Backbone interact. energy: -0.078
local terms energy: -69.373795
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -17.959
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -9.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -97.042142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.042142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.042142 (E_RNA)
where:
Base-Base interactions energy: -36.804
where: short stacking energy: -28.432
Base-Backbone interact. energy: -0.008
local terms energy: -60.229963
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -16.416
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -4.829
tors. eta vs tors. theta energy: -6.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -94.046797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.046797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.046797 (E_RNA)
where:
Base-Base interactions energy: -36.923
where: short stacking energy: -22.369
Base-Backbone interact. energy: -1.010
local terms energy: -56.114464
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -16.247
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -10.834
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: 9, replica: 8
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -87.854688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.854688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.854688 (E_RNA)
where:
Base-Base interactions energy: -35.580
where: short stacking energy: -34.483
Base-Backbone interact. energy: -0.293
local terms energy: -51.982153
where:
bonds (distance) C4'-P energy: -14.294
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -13.277
flat angles P-C4'-P energy: -2.779
tors. eta vs tors. theta energy: -6.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -84.950095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.950095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.950095 (E_RNA)
where:
Base-Base interactions energy: -31.746
where: short stacking energy: -27.102
Base-Backbone interact. energy: -0.362
local terms energy: -52.841352
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -10.698
flat angles P-C4'-P energy: -13.328
tors. eta vs tors. theta energy: 2.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -258.134272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.134272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.134272 (E_RNA)
where:
Base-Base interactions energy: -170.562
where: short stacking energy: -80.231
Base-Backbone interact. energy: -0.465
local terms energy: -87.106912
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -17.670
flat angles P-C4'-P energy: -14.519
tors. eta vs tors. theta energy: -25.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -234.324902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.324902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.324902 (E_RNA)
where:
Base-Base interactions energy: -151.458
where: short stacking energy: -65.783
Base-Backbone interact. energy: -0.479
local terms energy: -82.387541
where:
bonds (distance) C4'-P energy: -18.269
bonds (distance) P-C4' energy: -13.330
flat angles C4'-P-C4' energy: -18.933
flat angles P-C4'-P energy: -14.573
tors. eta vs tors. theta energy: -17.283
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: 6
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -244.720793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.720793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.720793 (E_RNA)
where:
Base-Base interactions energy: -162.524
where: short stacking energy: -71.909
Base-Backbone interact. energy: -0.051
local terms energy: -82.146291
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -12.716
tors. eta vs tors. theta energy: -23.652
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: 1
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -205.220909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.220909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.220909 (E_RNA)
where:
Base-Base interactions energy: -132.756
where: short stacking energy: -65.096
Base-Backbone interact. energy: -0.537
local terms energy: -71.927610
where:
bonds (distance) C4'-P energy: -14.085
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -18.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -197.862942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.862942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.862942 (E_RNA)
where:
Base-Base interactions energy: -115.586
where: short stacking energy: -53.499
Base-Backbone interact. energy: -0.047
local terms energy: -82.229873
where:
bonds (distance) C4'-P energy: -17.365
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -18.074
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -21.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -110.390732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.390732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.390732 (E_RNA)
where:
Base-Base interactions energy: -45.270
where: short stacking energy: -45.270
Base-Backbone interact. energy: -0.088
local terms energy: -65.032614
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -18.713
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -6.108
tors. eta vs tors. theta energy: -11.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -87.853164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.853164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.853164 (E_RNA)
where:
Base-Base interactions energy: -33.587
where: short stacking energy: -25.971
Base-Backbone interact. energy: -0.517
local terms energy: -53.748660
where:
bonds (distance) C4'-P energy: -11.527
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -12.056
flat angles P-C4'-P energy: -9.767
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: 8, replica: 8
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -93.714906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.714906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.714906 (E_RNA)
where:
Base-Base interactions energy: -34.307
where: short stacking energy: -31.308
Base-Backbone interact. energy: -0.098
local terms energy: -59.309444
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -17.996
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -6.890
tors. eta vs tors. theta energy: -4.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -83.637492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.637492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.637492 (E_RNA)
where:
Base-Base interactions energy: -31.460
where: short stacking energy: -22.697
Base-Backbone interact. energy: -0.098
local terms energy: -52.079321
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -11.826
flat angles P-C4'-P energy: -11.999
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: 10, replica: 2
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -92.748182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.748182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.748182 (E_RNA)
where:
Base-Base interactions energy: -41.448
where: short stacking energy: -28.424
Base-Backbone interact. energy: -0.715
local terms energy: -50.584642
where:
bonds (distance) C4'-P energy: -12.949
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -14.951
flat angles P-C4'-P energy: -7.945
tors. eta vs tors. theta energy: 0.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -240.868463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.868463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.868463 (E_RNA)
where:
Base-Base interactions energy: -159.135
where: short stacking energy: -64.730
Base-Backbone interact. energy: -0.155
local terms energy: -81.578484
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -18.545
flat angles P-C4'-P energy: -15.838
tors. eta vs tors. theta energy: -17.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -254.780942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.780942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.780942 (E_RNA)
where:
Base-Base interactions energy: -171.518
where: short stacking energy: -80.727
Base-Backbone interact. energy: -0.001
local terms energy: -83.262390
where:
bonds (distance) C4'-P energy: -14.158
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -17.464
flat angles P-C4'-P energy: -11.595
tors. eta vs tors. theta energy: -25.346
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: 6
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -237.274741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.274741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.274741 (E_RNA)
where:
Base-Base interactions energy: -157.137
where: short stacking energy: -65.241
Base-Backbone interact. energy: -0.376
local terms energy: -79.762329
where:
bonds (distance) C4'-P energy: -11.753
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -17.264
flat angles P-C4'-P energy: -14.981
tors. eta vs tors. theta energy: -18.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -200.164403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.164403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.164403 (E_RNA)
where:
Base-Base interactions energy: -124.942
where: short stacking energy: -55.399
Base-Backbone interact. energy: -0.061
local terms energy: -75.161098
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -19.495
flat angles C4'-P-C4' energy: -16.735
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -15.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -175.556049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.556049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.556049 (E_RNA)
where:
Base-Base interactions energy: -111.296
where: short stacking energy: -50.487
Base-Backbone interact. energy: -0.290
local terms energy: -63.969567
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -10.498
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -12.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -130.516578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.516578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.516578 (E_RNA)
where:
Base-Base interactions energy: -62.369
where: short stacking energy: -34.615
Base-Backbone interact. energy: -0.090
local terms energy: -68.058402
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -16.257
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -14.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -90.332545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.332545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.332545 (E_RNA)
where:
Base-Base interactions energy: -44.427
where: short stacking energy: -32.421
Base-Backbone interact. energy: -0.202
local terms energy: -45.703646
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -14.627
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -7.630
tors. eta vs tors. theta energy: 0.937
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: 250
Temperature: 1.250000
Total energy: -80.321363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.321363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.321363 (E_RNA)
where:
Base-Base interactions energy: -27.025
where: short stacking energy: -25.861
Base-Backbone interact. energy: 0.427
local terms energy: -53.723870
where:
bonds (distance) C4'-P energy: -8.270
bonds (distance) P-C4' energy: -17.222
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -12.966
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: 9, replica: 2
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -82.729418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.729418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.729418 (E_RNA)
where:
Base-Base interactions energy: -32.479
where: short stacking energy: -20.548
Base-Backbone interact. energy: -0.087
local terms energy: -50.164177
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -16.983
flat angles C4'-P-C4' energy: -12.503
flat angles P-C4'-P energy: -9.324
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: 10, replica: 5
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -89.839755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.839755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.839755 (E_RNA)
where:
Base-Base interactions energy: -39.844
where: short stacking energy: -25.758
Base-Backbone interact. energy: -0.250
local terms energy: -49.746020
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -7.835
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -5.251
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: 251
Temperature: 0.900000
Total energy: -237.247710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.247710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.247710 (E_RNA)
where:
Base-Base interactions energy: -156.258
where: short stacking energy: -73.087
Base-Backbone interact. energy: -0.154
local terms energy: -80.836079
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -17.901
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -12.992
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: 2, replica: 9
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -245.183008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.183008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.183008 (E_RNA)
where:
Base-Base interactions energy: -162.006
where: short stacking energy: -78.374
Base-Backbone interact. energy: -0.120
local terms energy: -83.057409
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -12.913
flat angles C4'-P-C4' energy: -18.301
flat angles P-C4'-P energy: -13.342
tors. eta vs tors. theta energy: -22.484
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: 6
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -231.255452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.255452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.255452 (E_RNA)
where:
Base-Base interactions energy: -149.149
where: short stacking energy: -65.007
Base-Backbone interact. energy: 0.391
local terms energy: -82.498130
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -18.556
flat angles P-C4'-P energy: -11.958
tors. eta vs tors. theta energy: -17.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -212.506357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.506357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.506357 (E_RNA)
where:
Base-Base interactions energy: -127.938
where: short stacking energy: -75.536
Base-Backbone interact. energy: -0.118
local terms energy: -84.450766
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -15.779
flat angles C4'-P-C4' energy: -18.718
flat angles P-C4'-P energy: -9.699
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: 5, replica: 7
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -193.651772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.651772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.651772 (E_RNA)
where:
Base-Base interactions energy: -114.607
where: short stacking energy: -58.047
Base-Backbone interact. energy: 0.042
local terms energy: -79.086849
where:
bonds (distance) C4'-P energy: -19.966
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -18.343
flat angles P-C4'-P energy: -5.663
tors. eta vs tors. theta energy: -18.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -100.186356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.186356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.186356 (E_RNA)
where:
Base-Base interactions energy: -36.903
where: short stacking energy: -34.723
Base-Backbone interact. energy: -0.291
local terms energy: -62.992502
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -20.281
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -2.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -95.183350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.183350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.183350 (E_RNA)
where:
Base-Base interactions energy: -26.619
where: short stacking energy: -24.665
Base-Backbone interact. energy: 2.652
local terms energy: -71.216270
where:
bonds (distance) C4'-P energy: -18.364
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: -7.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -82.775358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.775358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.775358 (E_RNA)
where:
Base-Base interactions energy: -27.244
where: short stacking energy: -25.111
Base-Backbone interact. energy: -0.068
local terms energy: -55.462814
where:
bonds (distance) C4'-P energy: -8.395
bonds (distance) P-C4' energy: -15.257
flat angles C4'-P-C4' energy: -18.060
flat angles P-C4'-P energy: -12.914
tors. eta vs tors. theta energy: -0.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -89.386972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.386972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.386972 (E_RNA)
where:
Base-Base interactions energy: -38.052
where: short stacking energy: -32.737
Base-Backbone interact. energy: -0.087
local terms energy: -51.248620
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -19.168
flat angles C4'-P-C4' energy: -11.405
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: -0.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -85.052252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.052252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.052252 (E_RNA)
where:
Base-Base interactions energy: -30.202
where: short stacking energy: -25.800
Base-Backbone interact. energy: -0.090
local terms energy: -54.760476
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -10.722
flat angles P-C4'-P energy: -12.573
tors. eta vs tors. theta energy: 0.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -255.432489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.432489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.432489 (E_RNA)
where:
Base-Base interactions energy: -160.757
where: short stacking energy: -81.487
Base-Backbone interact. energy: -0.049
local terms energy: -94.626552
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -19.551
flat angles C4'-P-C4' energy: -18.350
flat angles P-C4'-P energy: -14.204
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: 2, replica: 10
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -240.872970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.872970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.872970 (E_RNA)
where:
Base-Base interactions energy: -160.466
where: short stacking energy: -73.618
Base-Backbone interact. energy: -0.233
local terms energy: -80.174078
where:
bonds (distance) C4'-P energy: -17.655
bonds (distance) P-C4' energy: -16.413
flat angles C4'-P-C4' energy: -18.190
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -17.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -238.901813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.901813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.901813 (E_RNA)
where:
Base-Base interactions energy: -155.515
where: short stacking energy: -67.548
Base-Backbone interact. energy: -0.004
local terms energy: -83.382812
where:
bonds (distance) C4'-P energy: -14.573
bonds (distance) P-C4' energy: -20.870
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -13.313
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: 4, replica: 1
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -199.182667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.182667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.182667 (E_RNA)
where:
Base-Base interactions energy: -114.012
where: short stacking energy: -57.935
Base-Backbone interact. energy: -0.007
local terms energy: -85.163064
where:
bonds (distance) C4'-P energy: -18.234
bonds (distance) P-C4' energy: -17.006
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -14.576
tors. eta vs tors. theta energy: -19.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -183.871792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.871792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.871792 (E_RNA)
where:
Base-Base interactions energy: -112.780
where: short stacking energy: -56.548
Base-Backbone interact. energy: -1.681
local terms energy: -69.410526
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -11.869
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -16.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -108.487519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.487519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.487519 (E_RNA)
where:
Base-Base interactions energy: -45.390
where: short stacking energy: -40.533
Base-Backbone interact. energy: 0.856
local terms energy: -63.953474
where:
bonds (distance) C4'-P energy: -18.479
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -5.321
tors. eta vs tors. theta energy: -7.316
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: 7, replica: 3
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -98.030102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.030102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.030102 (E_RNA)
where:
Base-Base interactions energy: -36.338
where: short stacking energy: -36.338
Base-Backbone interact. energy: -1.034
local terms energy: -60.658303
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -3.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -99.403175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.403175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.403175 (E_RNA)
where:
Base-Base interactions energy: -45.712
where: short stacking energy: -22.533
Base-Backbone interact. energy: -0.284
local terms energy: -53.406638
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -17.773
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: 1.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -91.149177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.149177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.149177 (E_RNA)
where:
Base-Base interactions energy: -29.434
where: short stacking energy: -28.874
Base-Backbone interact. energy: -0.359
local terms energy: -61.356339
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -3.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -102.947453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.947453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.947453 (E_RNA)
where:
Base-Base interactions energy: -57.076
where: short stacking energy: -15.455
Base-Backbone interact. energy: -0.543
local terms energy: -45.328802
where:
bonds (distance) C4'-P energy: -8.709
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -7.278
tors. eta vs tors. theta energy: 0.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -252.821612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.821612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.821612 (E_RNA)
where:
Base-Base interactions energy: -161.479
where: short stacking energy: -80.394
Base-Backbone interact. energy: -0.034
local terms energy: -91.307994
where:
bonds (distance) C4'-P energy: -18.695
bonds (distance) P-C4' energy: -15.077
flat angles C4'-P-C4' energy: -18.926
flat angles P-C4'-P energy: -12.808
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: 2, replica: 6
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -254.305081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.305081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.305081 (E_RNA)
where:
Base-Base interactions energy: -167.491
where: short stacking energy: -84.388
Base-Backbone interact. energy: -0.002
local terms energy: -86.812099
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -18.526
flat angles C4'-P-C4' energy: -18.435
flat angles P-C4'-P energy: -13.706
tors. eta vs tors. theta energy: -23.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -233.626807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.626807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.626807 (E_RNA)
where:
Base-Base interactions energy: -153.073
where: short stacking energy: -70.901
Base-Backbone interact. energy: -0.107
local terms energy: -80.446151
where:
bonds (distance) C4'-P energy: -18.940
bonds (distance) P-C4' energy: -12.943
flat angles C4'-P-C4' energy: -15.424
flat angles P-C4'-P energy: -13.726
tors. eta vs tors. theta energy: -19.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -200.452612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.452612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.452612 (E_RNA)
where:
Base-Base interactions energy: -118.779
where: short stacking energy: -61.685
Base-Backbone interact. energy: -0.221
local terms energy: -81.452098
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -17.872
flat angles C4'-P-C4' energy: -18.536
flat angles P-C4'-P energy: -8.311
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: 1
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -187.738963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.738963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.738963 (E_RNA)
where:
Base-Base interactions energy: -113.894
where: short stacking energy: -54.489
Base-Backbone interact. energy: -0.174
local terms energy: -73.670842
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -17.018
flat angles P-C4'-P energy: -6.497
tors. eta vs tors. theta energy: -16.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -106.109421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.109421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.109421 (E_RNA)
where:
Base-Base interactions energy: -52.203
where: short stacking energy: -33.648
Base-Backbone interact. energy: 0.176
local terms energy: -54.081880
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -13.316
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -4.857
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: 7, replica: 3
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -92.424463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.424463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.424463 (E_RNA)
where:
Base-Base interactions energy: -33.587
where: short stacking energy: -27.842
Base-Backbone interact. energy: 1.310
local terms energy: -60.147797
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -12.913
tors. eta vs tors. theta energy: -2.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -107.865753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.865753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.865753 (E_RNA)
where:
Base-Base interactions energy: -37.007
where: short stacking energy: -36.436
Base-Backbone interact. energy: -0.894
local terms energy: -69.965311
where:
bonds (distance) C4'-P energy: -15.036
bonds (distance) P-C4' energy: -17.920
flat angles C4'-P-C4' energy: -10.582
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -13.790
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: 5
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -92.999345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.999345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.999345 (E_RNA)
where:
Base-Base interactions energy: -32.287
where: short stacking energy: -32.276
Base-Backbone interact. energy: -0.182
local terms energy: -60.529770
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -11.546
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -11.129
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: 2
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -87.942283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.942283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.942283 (E_RNA)
where:
Base-Base interactions energy: -28.923
where: short stacking energy: -24.993
Base-Backbone interact. energy: -0.708
local terms energy: -58.311028
where:
bonds (distance) C4'-P energy: -16.358
bonds (distance) P-C4' energy: -15.693
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -1.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -253.673764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.673764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.673764 (E_RNA)
where:
Base-Base interactions energy: -170.693
where: short stacking energy: -80.688
Base-Backbone interact. energy: -0.090
local terms energy: -82.890723
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -18.161
flat angles P-C4'-P energy: -8.968
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: 2, replica: 9
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -260.905961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.905961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.905961 (E_RNA)
where:
Base-Base interactions energy: -172.191
where: short stacking energy: -82.707
Base-Backbone interact. energy: 0.062
local terms energy: -88.777581
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -19.198
flat angles P-C4'-P energy: -14.075
tors. eta vs tors. theta energy: -26.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -209.628130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.628130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.628130 (E_RNA)
where:
Base-Base interactions energy: -130.291
where: short stacking energy: -55.999
Base-Backbone interact. energy: 0.316
local terms energy: -79.652277
where:
bonds (distance) C4'-P energy: -16.708
bonds (distance) P-C4' energy: -17.300
flat angles C4'-P-C4' energy: -17.062
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -18.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -232.010474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.010474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.010474 (E_RNA)
where:
Base-Base interactions energy: -143.339
where: short stacking energy: -66.212
Base-Backbone interact. energy: -0.034
local terms energy: -88.637412
where:
bonds (distance) C4'-P energy: -17.104
bonds (distance) P-C4' energy: -21.826
flat angles C4'-P-C4' energy: -16.853
flat angles P-C4'-P energy: -15.962
tors. eta vs tors. theta energy: -16.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -194.998915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.998915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.998915 (E_RNA)
where:
Base-Base interactions energy: -120.103
where: short stacking energy: -53.366
Base-Backbone interact. energy: -1.127
local terms energy: -73.768598
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -12.455
flat angles P-C4'-P energy: -15.125
tors. eta vs tors. theta energy: -19.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -105.930706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.930706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.930706 (E_RNA)
where:
Base-Base interactions energy: -45.744
where: short stacking energy: -27.686
Base-Backbone interact. energy: 0.154
local terms energy: -60.339905
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -17.501
flat angles C4'-P-C4' energy: -15.310
flat angles P-C4'-P energy: -8.613
tors. eta vs tors. theta energy: -3.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -97.906337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.906337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.906337 (E_RNA)
where:
Base-Base interactions energy: -36.479
where: short stacking energy: -32.266
Base-Backbone interact. energy: -0.109
local terms energy: -61.318309
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -19.725
flat angles C4'-P-C4' energy: -17.619
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: 0.034
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: 254
Temperature: 1.250000
Total energy: -87.157218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.157218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.157218 (E_RNA)
where:
Base-Base interactions energy: -26.165
where: short stacking energy: -21.892
Base-Backbone interact. energy: 0.333
local terms energy: -61.325388
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -19.119
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -0.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -95.826042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.826042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.826042 (E_RNA)
where:
Base-Base interactions energy: -31.892
where: short stacking energy: -28.489
Base-Backbone interact. energy: -0.024
local terms energy: -63.910807
where:
bonds (distance) C4'-P energy: -16.030
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -11.457
flat angles P-C4'-P energy: -13.736
tors. eta vs tors. theta energy: -6.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -74.339971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.339971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.339971 (E_RNA)
where:
Base-Base interactions energy: -16.734
where: short stacking energy: -16.734
Base-Backbone interact. energy: -0.068
local terms energy: -57.537469
where:
bonds (distance) C4'-P energy: -17.923
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -12.533
tors. eta vs tors. theta energy: 1.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -252.553531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.553531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.553531 (E_RNA)
where:
Base-Base interactions energy: -168.887
where: short stacking energy: -70.187
Base-Backbone interact. energy: -0.249
local terms energy: -83.417416
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -19.306
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -24.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -250.619447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.619447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.619447 (E_RNA)
where:
Base-Base interactions energy: -163.093
where: short stacking energy: -83.679
Base-Backbone interact. energy: -0.006
local terms energy: -87.520485
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -18.901
flat angles C4'-P-C4' energy: -18.065
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -23.790
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: 7
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -214.210730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.210730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.210730 (E_RNA)
where:
Base-Base interactions energy: -132.898
where: short stacking energy: -68.923
Base-Backbone interact. energy: -0.009
local terms energy: -81.303088
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -18.681
flat angles C4'-P-C4' energy: -18.600
flat angles P-C4'-P energy: -6.780
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: 4, replica: 1
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -196.330837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.330837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.330837 (E_RNA)
where:
Base-Base interactions energy: -120.986
where: short stacking energy: -62.100
Base-Backbone interact. energy: -0.025
local terms energy: -75.319456
where:
bonds (distance) C4'-P energy: -9.863
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -13.068
tors. eta vs tors. theta energy: -18.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -216.405569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.405569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.405569 (E_RNA)
where:
Base-Base interactions energy: -140.559
where: short stacking energy: -64.238
Base-Backbone interact. energy: 0.190
local terms energy: -76.035940
where:
bonds (distance) C4'-P energy: -11.690
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -14.461
tors. eta vs tors. theta energy: -15.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -98.738861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.738861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.738861 (E_RNA)
where:
Base-Base interactions energy: -36.791
where: short stacking energy: -31.070
Base-Backbone interact. energy: 0.414
local terms energy: -62.362273
where:
bonds (distance) C4'-P energy: -17.298
bonds (distance) P-C4' energy: -19.528
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -0.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -134.247603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.247603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.247603 (E_RNA)
where:
Base-Base interactions energy: -70.161
where: short stacking energy: -31.491
Base-Backbone interact. energy: -0.803
local terms energy: -63.283313
where:
bonds (distance) C4'-P energy: -17.457
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -19.490
flat angles P-C4'-P energy: -6.763
tors. eta vs tors. theta energy: -6.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -92.054932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.054932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.054932 (E_RNA)
where:
Base-Base interactions energy: -38.052
where: short stacking energy: -37.365
Base-Backbone interact. energy: 0.791
local terms energy: -54.794424
where:
bonds (distance) C4'-P energy: -11.283
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -8.790
flat angles P-C4'-P energy: -7.681
tors. eta vs tors. theta energy: -10.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -97.903909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.903909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.903909 (E_RNA)
where:
Base-Base interactions energy: -54.525
where: short stacking energy: -28.375
Base-Backbone interact. energy: 0.758
local terms energy: -44.136785
where:
bonds (distance) C4'-P energy: -9.301
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -18.807
flat angles P-C4'-P energy: -4.519
tors. eta vs tors. theta energy: 0.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -81.949197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.949197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.949197 (E_RNA)
where:
Base-Base interactions energy: -31.726
where: short stacking energy: -26.218
Base-Backbone interact. energy: -0.138
local terms energy: -50.084601
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -12.216
flat angles C4'-P-C4' energy: -9.732
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -5.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -265.637979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.637979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.637979 (E_RNA)
where:
Base-Base interactions energy: -177.775
where: short stacking energy: -70.299
Base-Backbone interact. energy: -0.408
local terms energy: -87.455298
where:
bonds (distance) C4'-P energy: -16.168
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -17.429
flat angles P-C4'-P energy: -12.489
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: 2, replica: 6
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -231.736655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.736655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.736655 (E_RNA)
where:
Base-Base interactions energy: -153.578
where: short stacking energy: -62.476
Base-Backbone interact. energy: -0.195
local terms energy: -77.963906
where:
bonds (distance) C4'-P energy: -18.339
bonds (distance) P-C4' energy: -18.374
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -11.504
tors. eta vs tors. theta energy: -15.331
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: 7
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -225.826675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.826675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.826675 (E_RNA)
where:
Base-Base interactions energy: -135.863
where: short stacking energy: -78.407
Base-Backbone interact. energy: -0.093
local terms energy: -89.871333
where:
bonds (distance) C4'-P energy: -18.065
bonds (distance) P-C4' energy: -19.435
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -24.742
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: 1
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -209.484679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.484679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.484679 (E_RNA)
where:
Base-Base interactions energy: -125.428
where: short stacking energy: -68.008
Base-Backbone interact. energy: -0.069
local terms energy: -83.987778
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -19.916
flat angles P-C4'-P energy: -12.349
tors. eta vs tors. theta energy: -19.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -220.688556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.688556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.688556 (E_RNA)
where:
Base-Base interactions energy: -139.192
where: short stacking energy: -55.407
Base-Backbone interact. energy: -0.152
local terms energy: -81.344711
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -18.075
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: -20.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -108.747509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.747509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.747509 (E_RNA)
where:
Base-Base interactions energy: -40.353
where: short stacking energy: -31.405
Base-Backbone interact. energy: -0.070
local terms energy: -68.324647
where:
bonds (distance) C4'-P energy: -16.466
bonds (distance) P-C4' energy: -19.921
flat angles C4'-P-C4' energy: -17.770
flat angles P-C4'-P energy: -7.426
tors. eta vs tors. theta energy: -6.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -94.509578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.509578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.509578 (E_RNA)
where:
Base-Base interactions energy: -39.500
where: short stacking energy: -23.876
Base-Backbone interact. energy: -0.038
local terms energy: -54.971268
where:
bonds (distance) C4'-P energy: -19.447
bonds (distance) P-C4' energy: -18.350
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: 2.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -133.835905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.835905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.835905 (E_RNA)
where:
Base-Base interactions energy: -75.790
where: short stacking energy: -40.913
Base-Backbone interact. energy: 0.100
local terms energy: -58.145873
where:
bonds (distance) C4'-P energy: -12.884
bonds (distance) P-C4' energy: -15.679
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -5.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -91.126459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.126459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.126459 (E_RNA)
where:
Base-Base interactions energy: -31.012
where: short stacking energy: -31.012
Base-Backbone interact. energy: -0.156
local terms energy: -59.957950
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -6.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -74.138133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.138133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.138133 (E_RNA)
where:
Base-Base interactions energy: -28.688
where: short stacking energy: -25.172
Base-Backbone interact. energy: -0.415
local terms energy: -45.034206
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -2.664
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: 1, replica: 9
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -251.544757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.544757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.544757 (E_RNA)
where:
Base-Base interactions energy: -161.721
where: short stacking energy: -75.342
Base-Backbone interact. energy: -0.006
local terms energy: -89.817626
where:
bonds (distance) C4'-P energy: -19.129
bonds (distance) P-C4' energy: -18.881
flat angles C4'-P-C4' energy: -18.619
flat angles P-C4'-P energy: -11.834
tors. eta vs tors. theta energy: -21.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -209.054658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.054658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.054658 (E_RNA)
where:
Base-Base interactions energy: -127.306
where: short stacking energy: -60.349
Base-Backbone interact. energy: -1.148
local terms energy: -80.600043
where:
bonds (distance) C4'-P energy: -18.992
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -17.901
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -20.555
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: 3, replica: 6
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -241.303035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.303035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.303035 (E_RNA)
where:
Base-Base interactions energy: -157.053
where: short stacking energy: -63.605
Base-Backbone interact. energy: -0.779
local terms energy: -83.471738
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -17.655
flat angles C4'-P-C4' energy: -17.702
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: -21.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -232.363561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.363561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.363561 (E_RNA)
where:
Base-Base interactions energy: -148.021
where: short stacking energy: -63.674
Base-Backbone interact. energy: -0.200
local terms energy: -84.142628
where:
bonds (distance) C4'-P energy: -15.922
bonds (distance) P-C4' energy: -19.961
flat angles C4'-P-C4' energy: -17.184
flat angles P-C4'-P energy: -12.298
tors. eta vs tors. theta energy: -18.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -208.933381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.933381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.933381 (E_RNA)
where:
Base-Base interactions energy: -124.046
where: short stacking energy: -71.785
Base-Backbone interact. energy: -0.028
local terms energy: -84.859366
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -18.841
flat angles P-C4'-P energy: -13.089
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: 6, replica: 4
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -116.326686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.326686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.326686 (E_RNA)
where:
Base-Base interactions energy: -51.335
where: short stacking energy: -49.685
Base-Backbone interact. energy: 0.756
local terms energy: -65.747699
where:
bonds (distance) C4'-P energy: -17.663
bonds (distance) P-C4' energy: -16.897
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -8.187
tors. eta vs tors. theta energy: -8.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -99.529389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.529389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.529389 (E_RNA)
where:
Base-Base interactions energy: -54.975
where: short stacking energy: -27.012
Base-Backbone interact. energy: -0.702
local terms energy: -43.852851
where:
bonds (distance) C4'-P energy: -10.033
bonds (distance) P-C4' energy: -11.488
flat angles C4'-P-C4' energy: -11.527
flat angles P-C4'-P energy: -7.825
tors. eta vs tors. theta energy: -2.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -127.445105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.445105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.445105 (E_RNA)
where:
Base-Base interactions energy: -70.284
where: short stacking energy: -36.454
Base-Backbone interact. energy: 1.053
local terms energy: -58.214895
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -3.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -98.053975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.053975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.053975 (E_RNA)
where:
Base-Base interactions energy: -42.226
where: short stacking energy: -42.226
Base-Backbone interact. energy: -0.585
local terms energy: -55.243660
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -9.993
flat angles P-C4'-P energy: -2.951
tors. eta vs tors. theta energy: -9.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -72.807437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.807437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.807437 (E_RNA)
where:
Base-Base interactions energy: -21.873
where: short stacking energy: -15.262
Base-Backbone interact. energy: -0.309
local terms energy: -50.625045
where:
bonds (distance) C4'-P energy: -18.660
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -13.514
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: 6.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -264.660700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.660700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.660700 (E_RNA)
where:
Base-Base interactions energy: -169.447
where: short stacking energy: -82.743
Base-Backbone interact. energy: -0.532
local terms energy: -94.681781
where:
bonds (distance) C4'-P energy: -19.191
bonds (distance) P-C4' energy: -18.339
flat angles C4'-P-C4' energy: -18.393
flat angles P-C4'-P energy: -13.436
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: 2, replica: 7
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -216.685374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.685374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.685374 (E_RNA)
where:
Base-Base interactions energy: -134.344
where: short stacking energy: -62.109
Base-Backbone interact. energy: -0.438
local terms energy: -81.902964
where:
bonds (distance) C4'-P energy: -19.360
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -16.370
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -16.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -236.461679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.461679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.461679 (E_RNA)
where:
Base-Base interactions energy: -157.802
where: short stacking energy: -70.799
Base-Backbone interact. energy: -0.114
local terms energy: -78.546458
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -16.624
flat angles C4'-P-C4' energy: -13.424
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: -19.608
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: 4, replica: 10
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -230.560512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.560512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.560512 (E_RNA)
where:
Base-Base interactions energy: -147.764
where: short stacking energy: -59.938
Base-Backbone interact. energy: 1.161
local terms energy: -83.957627
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -18.650
flat angles P-C4'-P energy: -12.185
tors. eta vs tors. theta energy: -19.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -111.182027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.182027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.182027 (E_RNA)
where:
Base-Base interactions energy: -48.565
where: short stacking energy: -34.336
Base-Backbone interact. energy: -1.158
local terms energy: -61.458334
where:
bonds (distance) C4'-P energy: -19.717
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -16.869
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -0.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -187.776882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.776882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.776882 (E_RNA)
where:
Base-Base interactions energy: -113.075
where: short stacking energy: -56.025
Base-Backbone interact. energy: -0.404
local terms energy: -74.297694
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -10.611
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: 7, replica: 3
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -102.158993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.158993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.158993 (E_RNA)
where:
Base-Base interactions energy: -40.308
where: short stacking energy: -35.068
Base-Backbone interact. energy: -0.024
local terms energy: -61.826937
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -11.619
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -12.257
tors. eta vs tors. theta energy: -8.816
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: 8
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -94.104509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.104509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.104509 (E_RNA)
where:
Base-Base interactions energy: -34.042
where: short stacking energy: -30.884
Base-Backbone interact. energy: -0.092
local terms energy: -59.970545
where:
bonds (distance) C4'-P energy: -10.156
bonds (distance) P-C4' energy: -16.714
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -6.731
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: 2
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -86.823447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.823447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.823447 (E_RNA)
where:
Base-Base interactions energy: -28.935
where: short stacking energy: -20.096
Base-Backbone interact. energy: 0.005
local terms energy: -57.893206
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -19.300
flat angles C4'-P-C4' energy: -11.693
flat angles P-C4'-P energy: -10.798
tors. eta vs tors. theta energy: 0.224
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: 5
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -80.723458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.723458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.723458 (E_RNA)
where:
Base-Base interactions energy: -25.459
where: short stacking energy: -23.077
Base-Backbone interact. energy: 0.200
local terms energy: -55.463777
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -7.361
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: 1, replica: 9
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -253.550382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.550382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.550382 (E_RNA)
where:
Base-Base interactions energy: -167.562
where: short stacking energy: -83.918
Base-Backbone interact. energy: -0.563
local terms energy: -85.425182
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -17.293
flat angles P-C4'-P energy: -13.547
tors. eta vs tors. theta energy: -26.111
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: 6
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -250.003560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.003560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.003560 (E_RNA)
where:
Base-Base interactions energy: -159.757
where: short stacking energy: -73.412
Base-Backbone interact. energy: -0.102
local terms energy: -90.144640
where:
bonds (distance) C4'-P energy: -17.896
bonds (distance) P-C4' energy: -18.392
flat angles C4'-P-C4' energy: -17.282
flat angles P-C4'-P energy: -13.613
tors. eta vs tors. theta energy: -22.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -205.213558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.213558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.213558 (E_RNA)
where:
Base-Base interactions energy: -120.710
where: short stacking energy: -64.730
Base-Backbone interact. energy: -0.133
local terms energy: -84.370251
where:
bonds (distance) C4'-P energy: -17.311
bonds (distance) P-C4' energy: -17.440
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -21.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -236.404165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.404165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.404165 (E_RNA)
where:
Base-Base interactions energy: -150.834
where: short stacking energy: -64.533
Base-Backbone interact. energy: -0.266
local terms energy: -85.304819
where:
bonds (distance) C4'-P energy: -18.483
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -12.318
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: 5, replica: 4
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -107.079903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.079903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.079903 (E_RNA)
where:
Base-Base interactions energy: -52.546
where: short stacking energy: -28.979
Base-Backbone interact. energy: -0.252
local terms energy: -54.281825
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -13.827
flat angles P-C4'-P energy: -10.147
tors. eta vs tors. theta energy: -1.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -181.973163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.973163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.973163 (E_RNA)
where:
Base-Base interactions energy: -107.675
where: short stacking energy: -43.649
Base-Backbone interact. energy: -0.086
local terms energy: -74.211853
where:
bonds (distance) C4'-P energy: -16.530
bonds (distance) P-C4' energy: -11.419
flat angles C4'-P-C4' energy: -20.358
flat angles P-C4'-P energy: -12.261
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: 259
Temperature: 1.200000
Total energy: -99.818004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.818004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.818004 (E_RNA)
where:
Base-Base interactions energy: -59.178
where: short stacking energy: -23.481
Base-Backbone interact. energy: -0.475
local terms energy: -40.164859
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -12.780
flat angles C4'-P-C4' energy: -7.304
flat angles P-C4'-P energy: -7.681
tors. eta vs tors. theta energy: 0.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -85.392116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.392116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.392116 (E_RNA)
where:
Base-Base interactions energy: -33.662
where: short stacking energy: -24.101
Base-Backbone interact. energy: -0.186
local terms energy: -51.544408
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -19.403
flat angles C4'-P-C4' energy: -9.418
flat angles P-C4'-P energy: -7.399
tors. eta vs tors. theta energy: 1.334
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: 259
Temperature: 1.300000
Total energy: -100.886145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.886145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.886145 (E_RNA)
where:
Base-Base interactions energy: -43.007
where: short stacking energy: -34.966
Base-Backbone interact. energy: -1.202
local terms energy: -56.677494
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -3.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -78.422997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.422997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.422997 (E_RNA)
where:
Base-Base interactions energy: -27.850
where: short stacking energy: -27.850
Base-Backbone interact. energy: -0.149
local terms energy: -50.424041
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -15.711
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -1.691
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: 1, replica: 6
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -256.125396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.125396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.125396 (E_RNA)
where:
Base-Base interactions energy: -162.012
where: short stacking energy: -77.388
Base-Backbone interact. energy: -1.239
local terms energy: -92.875117
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -18.618
flat angles P-C4'-P energy: -15.449
tors. eta vs tors. theta energy: -27.288
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: 260
Temperature: 0.950000
Total energy: -252.375030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.375030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.375030 (E_RNA)
where:
Base-Base interactions energy: -163.308
where: short stacking energy: -75.488
Base-Backbone interact. energy: 0.048
local terms energy: -89.114868
where:
bonds (distance) C4'-P energy: -17.933
bonds (distance) P-C4' energy: -19.125
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -13.832
tors. eta vs tors. theta energy: -21.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -237.297945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.297945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.297945 (E_RNA)
where:
Base-Base interactions energy: -154.531
where: short stacking energy: -58.629
Base-Backbone interact. energy: -0.023
local terms energy: -82.744003
where:
bonds (distance) C4'-P energy: -20.197
bonds (distance) P-C4' energy: -12.953
flat angles C4'-P-C4' energy: -19.986
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -17.987
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: 4, replica: 7
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -189.359990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.359990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.359990 (E_RNA)
where:
Base-Base interactions energy: -114.991
where: short stacking energy: -45.852
Base-Backbone interact. energy: -0.107
local terms energy: -74.261648
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -17.803
flat angles C4'-P-C4' energy: -16.861
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -14.029
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: 1
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -206.919937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.919937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.919937 (E_RNA)
where:
Base-Base interactions energy: -124.574
where: short stacking energy: -66.976
Base-Backbone interact. energy: -0.194
local terms energy: -82.151957
where:
bonds (distance) C4'-P energy: -17.275
bonds (distance) P-C4' energy: -19.084
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -7.681
tors. eta vs tors. theta energy: -20.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -118.374212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.374212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.374212 (E_RNA)
where:
Base-Base interactions energy: -56.828
where: short stacking energy: -40.881
Base-Backbone interact. energy: -0.320
local terms energy: -61.226151
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -12.617
tors. eta vs tors. theta energy: -2.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -96.777269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.777269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.777269 (E_RNA)
where:
Base-Base interactions energy: -38.888
where: short stacking energy: -37.347
Base-Backbone interact. energy: -0.278
local terms energy: -57.612008
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -14.908
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -7.133
tors. eta vs tors. theta energy: -2.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -94.057126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.057126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.057126 (E_RNA)
where:
Base-Base interactions energy: -47.149
where: short stacking energy: -25.732
Base-Backbone interact. energy: -0.297
local terms energy: -46.611071
where:
bonds (distance) C4'-P energy: -17.737
bonds (distance) P-C4' energy: -9.394
flat angles C4'-P-C4' energy: -3.764
flat angles P-C4'-P energy: -12.047
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: 9, replica: 5
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -86.608004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.608004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.608004 (E_RNA)
where:
Base-Base interactions energy: -31.695
where: short stacking energy: -29.357
Base-Backbone interact. energy: -0.362
local terms energy: -54.551587
where:
bonds (distance) C4'-P energy: -15.807
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -2.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -83.713880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.713880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.713880 (E_RNA)
where:
Base-Base interactions energy: -30.958
where: short stacking energy: -18.351
Base-Backbone interact. energy: -0.591
local terms energy: -52.163948
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -20.187
flat angles C4'-P-C4' energy: -10.355
flat angles P-C4'-P energy: -0.378
tors. eta vs tors. theta energy: -3.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -269.290220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.290220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.290220 (E_RNA)
where:
Base-Base interactions energy: -168.612
where: short stacking energy: -82.565
Base-Backbone interact. energy: -0.032
local terms energy: -100.645777
where:
bonds (distance) C4'-P energy: -19.452
bonds (distance) P-C4' energy: -17.247
flat angles C4'-P-C4' energy: -20.208
flat angles P-C4'-P energy: -15.983
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: 10
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -236.599483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.599483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.599483 (E_RNA)
where:
Base-Base interactions energy: -150.618
where: short stacking energy: -65.503
Base-Backbone interact. energy: -0.337
local terms energy: -85.644345
where:
bonds (distance) C4'-P energy: -17.369
bonds (distance) P-C4' energy: -18.001
flat angles C4'-P-C4' energy: -19.068
flat angles P-C4'-P energy: -13.617
tors. eta vs tors. theta energy: -17.590
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: 261
Temperature: 1.000000
Total energy: -254.660541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.660541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.660541 (E_RNA)
where:
Base-Base interactions energy: -167.649
where: short stacking energy: -86.029
Base-Backbone interact. energy: -0.016
local terms energy: -86.995047
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -19.177
flat angles C4'-P-C4' energy: -18.370
flat angles P-C4'-P energy: -12.066
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: 4, replica: 1
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -193.640865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.640865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.640865 (E_RNA)
where:
Base-Base interactions energy: -112.131
where: short stacking energy: -57.600
Base-Backbone interact. energy: -0.389
local terms energy: -81.119998
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -21.151
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -19.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -195.082016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.082016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.082016 (E_RNA)
where:
Base-Base interactions energy: -126.281
where: short stacking energy: -62.494
Base-Backbone interact. energy: -0.028
local terms energy: -68.772245
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -16.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -110.909837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.909837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.909837 (E_RNA)
where:
Base-Base interactions energy: -42.588
where: short stacking energy: -42.588
Base-Backbone interact. energy: -0.072
local terms energy: -68.250440
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -17.896
flat angles P-C4'-P energy: -7.786
tors. eta vs tors. theta energy: -10.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -111.699586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.699586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.699586 (E_RNA)
where:
Base-Base interactions energy: -44.531
where: short stacking energy: -42.700
Base-Backbone interact. energy: -0.605
local terms energy: -66.563633
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -17.859
flat angles C4'-P-C4' energy: -18.215
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -8.910
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: 5
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -90.013572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.013572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.013572 (E_RNA)
where:
Base-Base interactions energy: -27.905
where: short stacking energy: -21.617
Base-Backbone interact. energy: -0.210
local terms energy: -61.898020
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -19.269
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -0.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -106.912833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.912833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.912833 (E_RNA)
where:
Base-Base interactions energy: -53.509
where: short stacking energy: -31.750
Base-Backbone interact. energy: -0.510
local terms energy: -52.894421
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -18.883
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -7.117
tors. eta vs tors. theta energy: -0.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -91.625927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.625927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.625927 (E_RNA)
where:
Base-Base interactions energy: -36.979
where: short stacking energy: -32.441
Base-Backbone interact. energy: -0.328
local terms energy: -54.319040
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -18.929
flat angles P-C4'-P energy: -5.240
tors. eta vs tors. theta energy: 1.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -254.796071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.796071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.796071 (E_RNA)
where:
Base-Base interactions energy: -163.476
where: short stacking energy: -77.878
Base-Backbone interact. energy: -0.568
local terms energy: -90.751747
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -17.791
flat angles P-C4'-P energy: -13.233
tors. eta vs tors. theta energy: -26.454
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: 10
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -241.124161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.124161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.124161 (E_RNA)
where:
Base-Base interactions energy: -155.690
where: short stacking energy: -69.360
Base-Backbone interact. energy: -0.363
local terms energy: -85.070617
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -18.087
flat angles C4'-P-C4' energy: -19.409
flat angles P-C4'-P energy: -13.500
tors. eta vs tors. theta energy: -19.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -252.996904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.996904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.996904 (E_RNA)
where:
Base-Base interactions energy: -164.554
where: short stacking energy: -75.880
Base-Backbone interact. energy: -0.001
local terms energy: -88.442092
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -18.766
flat angles C4'-P-C4' energy: -18.514
flat angles P-C4'-P energy: -15.676
tors. eta vs tors. theta energy: -21.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -199.771999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.771999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.771999 (E_RNA)
where:
Base-Base interactions energy: -117.364
where: short stacking energy: -67.405
Base-Backbone interact. energy: -0.074
local terms energy: -82.334163
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -14.418
tors. eta vs tors. theta energy: -20.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -191.592674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.592674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.592674 (E_RNA)
where:
Base-Base interactions energy: -118.124
where: short stacking energy: -51.387
Base-Backbone interact. energy: -0.888
local terms energy: -72.580245
where:
bonds (distance) C4'-P energy: -19.349
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -16.418
flat angles P-C4'-P energy: -5.097
tors. eta vs tors. theta energy: -13.969
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: 2
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -105.548994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.548994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.548994 (E_RNA)
where:
Base-Base interactions energy: -41.914
where: short stacking energy: -37.060
Base-Backbone interact. energy: -0.216
local terms energy: -63.419665
where:
bonds (distance) C4'-P energy: -17.176
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -8.871
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: 7, replica: 4
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -102.939410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.939410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.939410 (E_RNA)
where:
Base-Base interactions energy: -53.587
where: short stacking energy: -31.903
Base-Backbone interact. energy: -0.078
local terms energy: -49.273728
where:
bonds (distance) C4'-P energy: -12.129
bonds (distance) P-C4' energy: -11.206
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -7.743
tors. eta vs tors. theta energy: -5.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -84.066603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.066603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.066603 (E_RNA)
where:
Base-Base interactions energy: -25.992
where: short stacking energy: -23.372
Base-Backbone interact. energy: -0.281
local terms energy: -57.793487
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -20.641
flat angles C4'-P-C4' energy: -10.244
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -2.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -84.069750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.069750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.069750 (E_RNA)
where:
Base-Base interactions energy: -33.439
where: short stacking energy: -29.863
Base-Backbone interact. energy: -0.067
local terms energy: -50.563578
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -7.818
tors. eta vs tors. theta energy: -1.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -86.031476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.031476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.031476 (E_RNA)
where:
Base-Base interactions energy: -33.485
where: short stacking energy: -29.483
Base-Backbone interact. energy: -0.150
local terms energy: -52.395895
where:
bonds (distance) C4'-P energy: -17.812
bonds (distance) P-C4' energy: -17.649
flat angles C4'-P-C4' energy: -9.311
flat angles P-C4'-P energy: -5.510
tors. eta vs tors. theta energy: -2.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -255.828709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.828709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.828709 (E_RNA)
where:
Base-Base interactions energy: -166.516
where: short stacking energy: -82.404
Base-Backbone interact. energy: -1.311
local terms energy: -88.001836
where:
bonds (distance) C4'-P energy: -15.412
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -19.048
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -23.840
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: 10
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -238.825328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.825328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.825328 (E_RNA)
where:
Base-Base interactions energy: -150.209
where: short stacking energy: -69.995
Base-Backbone interact. energy: -0.498
local terms energy: -88.117782
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -19.271
flat angles C4'-P-C4' energy: -19.800
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: -19.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -255.216685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.216685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.216685 (E_RNA)
where:
Base-Base interactions energy: -173.740
where: short stacking energy: -86.826
Base-Backbone interact. energy: -0.051
local terms energy: -81.425794
where:
bonds (distance) C4'-P energy: -9.698
bonds (distance) P-C4' energy: -18.075
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -26.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -209.857427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.857427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.857427 (E_RNA)
where:
Base-Base interactions energy: -131.532
where: short stacking energy: -58.705
Base-Backbone interact. energy: -0.144
local terms energy: -78.181471
where:
bonds (distance) C4'-P energy: -16.059
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -12.886
tors. eta vs tors. theta energy: -17.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -187.600660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.600660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.600660 (E_RNA)
where:
Base-Base interactions energy: -117.739
where: short stacking energy: -50.142
Base-Backbone interact. energy: -0.130
local terms energy: -69.731715
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -17.586
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: -13.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -134.401590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.401590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.401590 (E_RNA)
where:
Base-Base interactions energy: -61.400
where: short stacking energy: -42.278
Base-Backbone interact. energy: -0.056
local terms energy: -72.945530
where:
bonds (distance) C4'-P energy: -16.985
bonds (distance) P-C4' energy: -19.573
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -11.864
tors. eta vs tors. theta energy: -8.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -88.171800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.171800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.171800 (E_RNA)
where:
Base-Base interactions energy: -34.274
where: short stacking energy: -31.372
Base-Backbone interact. energy: 0.024
local terms energy: -53.921742
where:
bonds (distance) C4'-P energy: -12.884
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -11.931
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -4.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -98.457170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.457170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.457170 (E_RNA)
where:
Base-Base interactions energy: -36.213
where: short stacking energy: -36.213
Base-Backbone interact. energy: -0.071
local terms energy: -62.173529
where:
bonds (distance) C4'-P energy: -16.391
bonds (distance) P-C4' energy: -12.876
flat angles C4'-P-C4' energy: -10.770
flat angles P-C4'-P energy: -11.381
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: 5
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -83.360761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.360761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.360761 (E_RNA)
where:
Base-Base interactions energy: -33.749
where: short stacking energy: -17.341
Base-Backbone interact. energy: 0.209
local terms energy: -49.821186
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -12.528
flat angles C4'-P-C4' energy: -12.455
flat angles P-C4'-P energy: -13.196
tors. eta vs tors. theta energy: 3.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -77.978758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.978758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.978758 (E_RNA)
where:
Base-Base interactions energy: -25.865
where: short stacking energy: -23.974
Base-Backbone interact. energy: -0.333
local terms energy: -51.780650
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -19.929
flat angles C4'-P-C4' energy: -8.448
flat angles P-C4'-P energy: -5.471
tors. eta vs tors. theta energy: -3.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -261.158529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.158529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.158529 (E_RNA)
where:
Base-Base interactions energy: -172.832
where: short stacking energy: -69.253
Base-Backbone interact. energy: -0.439
local terms energy: -87.887645
where:
bonds (distance) C4'-P energy: -19.075
bonds (distance) P-C4' energy: -16.905
flat angles C4'-P-C4' energy: -17.391
flat angles P-C4'-P energy: -13.044
tors. eta vs tors. theta energy: -21.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -233.012470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.012470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.012470 (E_RNA)
where:
Base-Base interactions energy: -148.745
where: short stacking energy: -67.398
Base-Backbone interact. energy: -0.479
local terms energy: -83.788208
where:
bonds (distance) C4'-P energy: -20.375
bonds (distance) P-C4' energy: -18.297
flat angles C4'-P-C4' energy: -17.743
flat angles P-C4'-P energy: -8.613
tors. eta vs tors. theta energy: -18.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -248.525691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.525691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.525691 (E_RNA)
where:
Base-Base interactions energy: -172.302
where: short stacking energy: -69.794
Base-Backbone interact. energy: -0.158
local terms energy: -76.065375
where:
bonds (distance) C4'-P energy: -17.826
bonds (distance) P-C4' energy: -10.163
flat angles C4'-P-C4' energy: -18.033
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -19.639
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: 4, replica: 7
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -206.279529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.279529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.279529 (E_RNA)
where:
Base-Base interactions energy: -133.226
where: short stacking energy: -58.514
Base-Backbone interact. energy: -0.711
local terms energy: -72.342174
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -15.918
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -13.519
tors. eta vs tors. theta energy: -14.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -197.756298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.756298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.756298 (E_RNA)
where:
Base-Base interactions energy: -118.391
where: short stacking energy: -58.679
Base-Backbone interact. energy: -1.093
local terms energy: -78.272747
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -10.854
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: 6, replica: 2
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -119.631304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.631304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.631304 (E_RNA)
where:
Base-Base interactions energy: -64.349
where: short stacking energy: -36.178
Base-Backbone interact. energy: -0.025
local terms energy: -55.257610
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -12.823
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -6.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -98.499420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.499420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.499420 (E_RNA)
where:
Base-Base interactions energy: -32.827
where: short stacking energy: -30.024
Base-Backbone interact. energy: -0.188
local terms energy: -65.484511
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -19.739
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -6.123
tors. eta vs tors. theta energy: -6.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -90.878048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.878048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.878048 (E_RNA)
where:
Base-Base interactions energy: -38.508
where: short stacking energy: -27.168
Base-Backbone interact. energy: -0.262
local terms energy: -52.108656
where:
bonds (distance) C4'-P energy: -10.514
bonds (distance) P-C4' energy: -14.601
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -10.778
tors. eta vs tors. theta energy: -3.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -96.770590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.770590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.770590 (E_RNA)
where:
Base-Base interactions energy: -28.411
where: short stacking energy: -22.635
Base-Backbone interact. energy: -0.012
local terms energy: -68.347930
where:
bonds (distance) C4'-P energy: -13.897
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -9.260
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: 10, replica: 5
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -80.848352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.848352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.848352 (E_RNA)
where:
Base-Base interactions energy: -28.042
where: short stacking energy: -18.676
Base-Backbone interact. energy: -0.464
local terms energy: -52.343097
where:
bonds (distance) C4'-P energy: -13.782
bonds (distance) P-C4' energy: -20.436
flat angles C4'-P-C4' energy: -11.560
flat angles P-C4'-P energy: -4.480
tors. eta vs tors. theta energy: -2.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -253.250409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.250409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.250409 (E_RNA)
where:
Base-Base interactions energy: -168.908
where: short stacking energy: -67.972
Base-Backbone interact. energy: -0.214
local terms energy: -84.128947
where:
bonds (distance) C4'-P energy: -18.007
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -17.017
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -21.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -259.412726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.412726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.412726 (E_RNA)
where:
Base-Base interactions energy: -167.245
where: short stacking energy: -87.740
Base-Backbone interact. energy: -0.035
local terms energy: -92.132592
where:
bonds (distance) C4'-P energy: -16.999
bonds (distance) P-C4' energy: -18.368
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -13.385
tors. eta vs tors. theta energy: -25.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -240.195596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.195596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.195596 (E_RNA)
where:
Base-Base interactions energy: -156.720
where: short stacking energy: -71.955
Base-Backbone interact. energy: -0.339
local terms energy: -83.137446
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -19.451
flat angles P-C4'-P energy: -9.285
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: 4, replica: 7
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -209.107727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.107727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.107727 (E_RNA)
where:
Base-Base interactions energy: -130.098
where: short stacking energy: -63.030
Base-Backbone interact. energy: -0.434
local terms energy: -78.576188
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -14.798
flat angles C4'-P-C4' energy: -19.531
flat angles P-C4'-P energy: -8.546
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: 5, replica: 1
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -195.791956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.791956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.791956 (E_RNA)
where:
Base-Base interactions energy: -117.771
where: short stacking energy: -59.028
Base-Backbone interact. energy: -0.146
local terms energy: -77.874321
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -18.328
flat angles C4'-P-C4' energy: -18.860
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -17.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -117.189220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.189220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.189220 (E_RNA)
where:
Base-Base interactions energy: -55.991
where: short stacking energy: -33.102
Base-Backbone interact. energy: -0.111
local terms energy: -61.087310
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -19.736
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -4.557
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: 7, replica: 2
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -92.408126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.408126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.408126 (E_RNA)
where:
Base-Base interactions energy: -33.121
where: short stacking energy: -25.671
Base-Backbone interact. energy: -1.198
local terms energy: -58.088895
where:
bonds (distance) C4'-P energy: -16.182
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -7.565
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: 8, replica: 3
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -94.169104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.169104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.169104 (E_RNA)
where:
Base-Base interactions energy: -40.647
where: short stacking energy: -24.021
Base-Backbone interact. energy: -0.476
local terms energy: -53.046543
where:
bonds (distance) C4'-P energy: -15.905
bonds (distance) P-C4' energy: -13.855
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -6.209
tors. eta vs tors. theta energy: -3.058
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: 4
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -91.800874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.800874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.800874 (E_RNA)
where:
Base-Base interactions energy: -41.957
where: short stacking energy: -29.630
Base-Backbone interact. energy: 0.563
local terms energy: -50.407276
where:
bonds (distance) C4'-P energy: -10.522
bonds (distance) P-C4' energy: -20.570
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -6.371
tors. eta vs tors. theta energy: -0.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -90.286373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.286373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.286373 (E_RNA)
where:
Base-Base interactions energy: -30.868
where: short stacking energy: -24.370
Base-Backbone interact. energy: -0.464
local terms energy: -58.954933
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -17.100
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -11.223
tors. eta vs tors. theta energy: -1.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -258.896605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.896605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.896605 (E_RNA)
where:
Base-Base interactions energy: -178.352
where: short stacking energy: -68.224
Base-Backbone interact. energy: -0.682
local terms energy: -79.862945
where:
bonds (distance) C4'-P energy: -15.061
bonds (distance) P-C4' energy: -16.310
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -12.981
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: 2, replica: 6
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -256.231755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.231755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.231755 (E_RNA)
where:
Base-Base interactions energy: -169.585
where: short stacking energy: -76.820
Base-Backbone interact. energy: -0.131
local terms energy: -86.515715
where:
bonds (distance) C4'-P energy: -18.048
bonds (distance) P-C4' energy: -19.446
flat angles C4'-P-C4' energy: -18.191
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: -22.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -229.560609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.560609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.560609 (E_RNA)
where:
Base-Base interactions energy: -150.668
where: short stacking energy: -59.940
Base-Backbone interact. energy: -0.224
local terms energy: -78.668367
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -18.274
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -16.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -189.982166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.982166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.982166 (E_RNA)
where:
Base-Base interactions energy: -120.319
where: short stacking energy: -55.478
Base-Backbone interact. energy: 0.333
local terms energy: -69.996800
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -17.916
flat angles P-C4'-P energy: -9.580
tors. eta vs tors. theta energy: -13.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -194.383769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.383769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.383769 (E_RNA)
where:
Base-Base interactions energy: -119.395
where: short stacking energy: -61.519
Base-Backbone interact. energy: 2.422
local terms energy: -77.411168
where:
bonds (distance) C4'-P energy: -15.743
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -19.262
flat angles P-C4'-P energy: -13.742
tors. eta vs tors. theta energy: -13.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -142.124049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.124049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.124049 (E_RNA)
where:
Base-Base interactions energy: -77.205
where: short stacking energy: -40.800
Base-Backbone interact. energy: -0.320
local terms energy: -64.599546
where:
bonds (distance) C4'-P energy: -17.076
bonds (distance) P-C4' energy: -16.885
flat angles C4'-P-C4' energy: -17.225
flat angles P-C4'-P energy: -3.770
tors. eta vs tors. theta energy: -9.644
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: 266
Temperature: 1.200000
Total energy: -99.873095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.873095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.873095 (E_RNA)
where:
Base-Base interactions energy: -41.056
where: short stacking energy: -41.056
Base-Backbone interact. energy: 1.517
local terms energy: -60.334510
where:
bonds (distance) C4'-P energy: -11.454
bonds (distance) P-C4' energy: -16.797
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -8.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -80.803602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.803602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.803602 (E_RNA)
where:
Base-Base interactions energy: -20.255
where: short stacking energy: -20.255
Base-Backbone interact. energy: -0.587
local terms energy: -59.960708
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -19.457
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -14.418
tors. eta vs tors. theta energy: 1.796
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: 5
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -97.455762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.455762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.455762 (E_RNA)
where:
Base-Base interactions energy: -31.261
where: short stacking energy: -28.013
Base-Backbone interact. energy: -0.100
local terms energy: -66.094796
where:
bonds (distance) C4'-P energy: -17.938
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -7.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -86.792015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.792015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.792015 (E_RNA)
where:
Base-Base interactions energy: -39.276
where: short stacking energy: -25.202
Base-Backbone interact. energy: -0.379
local terms energy: -47.137133
where:
bonds (distance) C4'-P energy: -8.989
bonds (distance) P-C4' energy: -11.995
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -3.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -254.980535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.980535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.980535 (E_RNA)
where:
Base-Base interactions energy: -166.991
where: short stacking energy: -67.950
Base-Backbone interact. energy: -0.035
local terms energy: -87.954814
where:
bonds (distance) C4'-P energy: -17.629
bonds (distance) P-C4' energy: -19.517
flat angles C4'-P-C4' energy: -17.374
flat angles P-C4'-P energy: -14.333
tors. eta vs tors. theta energy: -19.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -235.437517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.437517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.437517 (E_RNA)
where:
Base-Base interactions energy: -151.181
where: short stacking energy: -67.555
Base-Backbone interact. energy: -0.119
local terms energy: -84.137845
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -18.054
flat angles C4'-P-C4' energy: -18.261
flat angles P-C4'-P energy: -14.110
tors. eta vs tors. theta energy: -19.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -240.588568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.588568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.588568 (E_RNA)
where:
Base-Base interactions energy: -157.892
where: short stacking energy: -76.407
Base-Backbone interact. energy: 0.245
local terms energy: -82.940979
where:
bonds (distance) C4'-P energy: -9.376
bonds (distance) P-C4' energy: -18.901
flat angles C4'-P-C4' energy: -18.186
flat angles P-C4'-P energy: -12.505
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: 1
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -197.797209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.797209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.797209 (E_RNA)
where:
Base-Base interactions energy: -122.251
where: short stacking energy: -62.725
Base-Backbone interact. energy: 0.067
local terms energy: -75.613024
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -16.791
flat angles P-C4'-P energy: -14.450
tors. eta vs tors. theta energy: -13.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -184.710234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.710234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.710234 (E_RNA)
where:
Base-Base interactions energy: -112.988
where: short stacking energy: -48.448
Base-Backbone interact. energy: -0.278
local terms energy: -71.444547
where:
bonds (distance) C4'-P energy: -19.021
bonds (distance) P-C4' energy: -18.224
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -6.896
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: 6, replica: 3
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -106.995070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.995070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.995070 (E_RNA)
where:
Base-Base interactions energy: -32.467
where: short stacking energy: -32.467
Base-Backbone interact. energy: -0.096
local terms energy: -74.432556
where:
bonds (distance) C4'-P energy: -18.310
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -13.679
tors. eta vs tors. theta energy: -8.983
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: 8
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -107.345881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.345881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.345881 (E_RNA)
where:
Base-Base interactions energy: -58.307
where: short stacking energy: -31.883
Base-Backbone interact. energy: -0.328
local terms energy: -48.710731
where:
bonds (distance) C4'-P energy: -18.260
bonds (distance) P-C4' energy: -10.757
flat angles C4'-P-C4' energy: -11.883
flat angles P-C4'-P energy: -6.731
tors. eta vs tors. theta energy: -1.079
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: 5
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -96.179762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.179762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.179762 (E_RNA)
where:
Base-Base interactions energy: -38.161
where: short stacking energy: -25.083
Base-Backbone interact. energy: 2.223
local terms energy: -60.242078
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -16.537
flat angles C4'-P-C4' energy: -18.021
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: 0.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -77.715603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.715603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.715603 (E_RNA)
where:
Base-Base interactions energy: -27.658
where: short stacking energy: -22.492
Base-Backbone interact. energy: -0.497
local terms energy: -49.560591
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -4.242
tors. eta vs tors. theta energy: 1.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -86.604466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.604466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.604466 (E_RNA)
where:
Base-Base interactions energy: -36.497
where: short stacking energy: -28.548
Base-Backbone interact. energy: -0.105
local terms energy: -50.002462
where:
bonds (distance) C4'-P energy: -8.768
bonds (distance) P-C4' energy: -15.133
flat angles C4'-P-C4' energy: -9.563
flat angles P-C4'-P energy: -11.701
tors. eta vs tors. theta energy: -4.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -265.615243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.615243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.615243 (E_RNA)
where:
Base-Base interactions energy: -172.498
where: short stacking energy: -83.913
Base-Backbone interact. energy: -0.054
local terms energy: -93.063332
where:
bonds (distance) C4'-P energy: -17.948
bonds (distance) P-C4' energy: -17.588
flat angles C4'-P-C4' energy: -18.033
flat angles P-C4'-P energy: -13.024
tors. eta vs tors. theta energy: -26.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -232.318152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.318152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.318152 (E_RNA)
where:
Base-Base interactions energy: -154.884
where: short stacking energy: -55.524
Base-Backbone interact. energy: -0.424
local terms energy: -77.010342
where:
bonds (distance) C4'-P energy: -18.010
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -19.053
flat angles P-C4'-P energy: -4.416
tors. eta vs tors. theta energy: -17.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -253.141282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.141282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.141282 (E_RNA)
where:
Base-Base interactions energy: -166.177
where: short stacking energy: -73.249
Base-Backbone interact. energy: 4.524
local terms energy: -91.488242
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -21.113
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -15.804
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: 1
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -201.834141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.834141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.834141 (E_RNA)
where:
Base-Base interactions energy: -121.643
where: short stacking energy: -57.416
Base-Backbone interact. energy: -0.045
local terms energy: -80.145961
where:
bonds (distance) C4'-P energy: -16.948
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -12.271
tors. eta vs tors. theta energy: -18.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -183.620668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.620668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.620668 (E_RNA)
where:
Base-Base interactions energy: -100.459
where: short stacking energy: -49.633
Base-Backbone interact. energy: -0.106
local terms energy: -83.055289
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -17.754
flat angles C4'-P-C4' energy: -18.500
flat angles P-C4'-P energy: -12.663
tors. eta vs tors. theta energy: -17.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -103.180506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.180506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.180506 (E_RNA)
where:
Base-Base interactions energy: -45.346
where: short stacking energy: -35.148
Base-Backbone interact. energy: -0.322
local terms energy: -57.513480
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -4.759
tors. eta vs tors. theta energy: -4.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -100.687854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.687854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.687854 (E_RNA)
where:
Base-Base interactions energy: -45.167
where: short stacking energy: -25.074
Base-Backbone interact. energy: -0.172
local terms energy: -55.348706
where:
bonds (distance) C4'-P energy: -16.054
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: -2.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -129.271197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.271197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.271197 (E_RNA)
where:
Base-Base interactions energy: -77.989
where: short stacking energy: -40.623
Base-Backbone interact. energy: -0.382
local terms energy: -50.899937
where:
bonds (distance) C4'-P energy: -10.082
bonds (distance) P-C4' energy: -10.359
flat angles C4'-P-C4' energy: -16.387
flat angles P-C4'-P energy: -7.633
tors. eta vs tors. theta energy: -6.438
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: 4
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -82.350130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.350130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.350130 (E_RNA)
where:
Base-Base interactions energy: -31.793
where: short stacking energy: -23.940
Base-Backbone interact. energy: -0.187
local terms energy: -50.370967
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -6.619
flat angles P-C4'-P energy: -9.069
tors. eta vs tors. theta energy: -5.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -77.735267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.735267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.735267 (E_RNA)
where:
Base-Base interactions energy: -26.596
where: short stacking energy: -18.704
Base-Backbone interact. energy: -0.442
local terms energy: -50.697479
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -12.186
flat angles P-C4'-P energy: -7.990
tors. eta vs tors. theta energy: 2.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -269.738051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.738051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.738051 (E_RNA)
where:
Base-Base interactions energy: -179.869
where: short stacking energy: -87.120
Base-Backbone interact. energy: -0.003
local terms energy: -89.866279
where:
bonds (distance) C4'-P energy: -18.284
bonds (distance) P-C4' energy: -14.186
flat angles C4'-P-C4' energy: -18.670
flat angles P-C4'-P energy: -12.182
tors. eta vs tors. theta energy: -26.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -248.832263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.832263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.832263 (E_RNA)
where:
Base-Base interactions energy: -172.647
where: short stacking energy: -78.535
Base-Backbone interact. energy: -0.079
local terms energy: -76.106236
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -14.760
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -21.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -226.952391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.952391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.952391 (E_RNA)
where:
Base-Base interactions energy: -149.319
where: short stacking energy: -59.532
Base-Backbone interact. energy: -0.425
local terms energy: -77.208432
where:
bonds (distance) C4'-P energy: -16.073
bonds (distance) P-C4' energy: -17.313
flat angles C4'-P-C4' energy: -18.690
flat angles P-C4'-P energy: -11.357
tors. eta vs tors. theta energy: -13.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -201.501299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.501299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.501299 (E_RNA)
where:
Base-Base interactions energy: -116.910
where: short stacking energy: -56.930
Base-Backbone interact. energy: -0.297
local terms energy: -84.294407
where:
bonds (distance) C4'-P energy: -17.279
bonds (distance) P-C4' energy: -18.727
flat angles C4'-P-C4' energy: -17.714
flat angles P-C4'-P energy: -14.394
tors. eta vs tors. theta energy: -16.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -173.734480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.734480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.734480 (E_RNA)
where:
Base-Base interactions energy: -113.919
where: short stacking energy: -59.064
Base-Backbone interact. energy: 0.682
local terms energy: -60.497139
where:
bonds (distance) C4'-P energy: -6.140
bonds (distance) P-C4' energy: -10.505
flat angles C4'-P-C4' energy: -15.987
flat angles P-C4'-P energy: -12.725
tors. eta vs tors. theta energy: -15.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -88.594278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.594278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.594278 (E_RNA)
where:
Base-Base interactions energy: -33.261
where: short stacking energy: -26.498
Base-Backbone interact. energy: -0.457
local terms energy: -54.876269
where:
bonds (distance) C4'-P energy: -18.147
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -14.805
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: 2.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -105.064238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.064238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.064238 (E_RNA)
where:
Base-Base interactions energy: -48.748
where: short stacking energy: -25.434
Base-Backbone interact. energy: -0.212
local terms energy: -56.104188
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -9.828
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: -0.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -127.135707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.135707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.135707 (E_RNA)
where:
Base-Base interactions energy: -66.783
where: short stacking energy: -45.301
Base-Backbone interact. energy: 2.396
local terms energy: -62.748590
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -17.790
flat angles P-C4'-P energy: -5.880
tors. eta vs tors. theta energy: -9.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -84.226315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.226315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.226315 (E_RNA)
where:
Base-Base interactions energy: -38.312
where: short stacking energy: -31.157
Base-Backbone interact. energy: 2.974
local terms energy: -48.888598
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -7.267
flat angles C4'-P-C4' energy: -14.455
flat angles P-C4'-P energy: -7.243
tors. eta vs tors. theta energy: -5.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -86.219296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.219296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.219296 (E_RNA)
where:
Base-Base interactions energy: -33.564
where: short stacking energy: -27.559
Base-Backbone interact. energy: -0.378
local terms energy: -52.277265
where:
bonds (distance) C4'-P energy: -11.390
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -12.157
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -0.975
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: 1, replica: 9
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -249.055841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.055841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.055841 (E_RNA)
where:
Base-Base interactions energy: -163.367
where: short stacking energy: -73.827
Base-Backbone interact. energy: -0.003
local terms energy: -85.686589
where:
bonds (distance) C4'-P energy: -17.306
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -20.508
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: -22.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -249.053479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.053479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.053479 (E_RNA)
where:
Base-Base interactions energy: -162.897
where: short stacking energy: -74.411
Base-Backbone interact. energy: -1.057
local terms energy: -85.100329
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -19.148
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -22.370
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: 10
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -222.023856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.023856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.023856 (E_RNA)
where:
Base-Base interactions energy: -148.759
where: short stacking energy: -60.267
Base-Backbone interact. energy: -0.156
local terms energy: -73.108979
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -18.559
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -11.819
tors. eta vs tors. theta energy: -13.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -208.902319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.902319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.902319 (E_RNA)
where:
Base-Base interactions energy: -128.397
where: short stacking energy: -53.996
Base-Backbone interact. energy: -0.219
local terms energy: -80.287223
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -14.369
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -13.306
tors. eta vs tors. theta energy: -19.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -169.097636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.097636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.097636 (E_RNA)
where:
Base-Base interactions energy: -101.628
where: short stacking energy: -48.387
Base-Backbone interact. energy: -0.025
local terms energy: -67.443963
where:
bonds (distance) C4'-P energy: -18.190
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: -11.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -118.208779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.208779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.208779 (E_RNA)
where:
Base-Base interactions energy: -55.703
where: short stacking energy: -41.313
Base-Backbone interact. energy: 0.258
local terms energy: -62.763440
where:
bonds (distance) C4'-P energy: -8.055
bonds (distance) P-C4' energy: -19.454
flat angles C4'-P-C4' energy: -12.421
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -12.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -94.430620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.430620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.430620 (E_RNA)
where:
Base-Base interactions energy: -34.527
where: short stacking energy: -24.402
Base-Backbone interact. energy: -0.186
local terms energy: -59.717528
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -14.475
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -3.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -88.703659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.703659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.703659 (E_RNA)
where:
Base-Base interactions energy: -32.451
where: short stacking energy: -28.053
Base-Backbone interact. energy: -0.908
local terms energy: -55.344781
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -11.858
flat angles C4'-P-C4' energy: -16.475
flat angles P-C4'-P energy: -13.228
tors. eta vs tors. theta energy: 1.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -89.088527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.088527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.088527 (E_RNA)
where:
Base-Base interactions energy: -34.604
where: short stacking energy: -25.514
Base-Backbone interact. energy: 0.164
local terms energy: -54.648614
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: 0.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -87.061351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.061351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.061351 (E_RNA)
where:
Base-Base interactions energy: -30.896
where: short stacking energy: -26.715
Base-Backbone interact. energy: -0.168
local terms energy: -55.997324
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -3.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -253.770196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.770196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.770196 (E_RNA)
where:
Base-Base interactions energy: -167.084
where: short stacking energy: -78.482
Base-Backbone interact. energy: -0.006
local terms energy: -86.680220
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -19.264
flat angles C4'-P-C4' energy: -19.997
flat angles P-C4'-P energy: -12.273
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: 2, replica: 6
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -266.462368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.462368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.462368 (E_RNA)
where:
Base-Base interactions energy: -176.368
where: short stacking energy: -77.620
Base-Backbone interact. energy: -1.341
local terms energy: -88.753982
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -19.541
flat angles P-C4'-P energy: -15.992
tors. eta vs tors. theta energy: -23.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -217.994194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.994194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.994194 (E_RNA)
where:
Base-Base interactions energy: -142.118
where: short stacking energy: -62.348
Base-Backbone interact. energy: -0.126
local terms energy: -75.749311
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -16.095
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: -18.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -218.259855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.259855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.259855 (E_RNA)
where:
Base-Base interactions energy: -136.730
where: short stacking energy: -67.212
Base-Backbone interact. energy: -0.488
local terms energy: -81.041066
where:
bonds (distance) C4'-P energy: -16.397
bonds (distance) P-C4' energy: -16.745
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -20.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -192.979476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.979476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.979476 (E_RNA)
where:
Base-Base interactions energy: -112.480
where: short stacking energy: -55.822
Base-Backbone interact. energy: -0.591
local terms energy: -79.907815
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -17.434
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -20.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -122.277483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.277483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.277483 (E_RNA)
where:
Base-Base interactions energy: -56.335
where: short stacking energy: -42.731
Base-Backbone interact. energy: 0.496
local terms energy: -66.437948
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -15.003
flat angles C4'-P-C4' energy: -15.255
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -10.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -95.465657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.465657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.465657 (E_RNA)
where:
Base-Base interactions energy: -40.307
where: short stacking energy: -39.798
Base-Backbone interact. energy: -1.218
local terms energy: -53.939962
where:
bonds (distance) C4'-P energy: -10.245
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -11.836
flat angles P-C4'-P energy: -9.334
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: 8, replica: 2
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -89.266643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.266643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.266643 (E_RNA)
where:
Base-Base interactions energy: -27.424
where: short stacking energy: -27.424
Base-Backbone interact. energy: -0.850
local terms energy: -60.992241
where:
bonds (distance) C4'-P energy: -17.792
bonds (distance) P-C4' energy: -19.324
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -3.381
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: 9, replica: 3
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -85.264586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.264586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.264586 (E_RNA)
where:
Base-Base interactions energy: -28.415
where: short stacking energy: -20.115
Base-Backbone interact. energy: -0.281
local terms energy: -56.568777
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -18.866
flat angles C4'-P-C4' energy: -10.161
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: 1.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -88.400289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.400289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.400289 (E_RNA)
where:
Base-Base interactions energy: -34.822
where: short stacking energy: -30.572
Base-Backbone interact. energy: -0.105
local terms energy: -53.473354
where:
bonds (distance) C4'-P energy: -14.477
bonds (distance) P-C4' energy: -12.844
flat angles C4'-P-C4' energy: -9.898
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -5.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -243.263479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.263479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.263479 (E_RNA)
where:
Base-Base interactions energy: -160.924
where: short stacking energy: -75.566
Base-Backbone interact. energy: -0.006
local terms energy: -82.332944
where:
bonds (distance) C4'-P energy: -16.735
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -12.467
flat angles P-C4'-P energy: -13.592
tors. eta vs tors. theta energy: -21.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -257.081190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.081190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.081190 (E_RNA)
where:
Base-Base interactions energy: -167.197
where: short stacking energy: -71.026
Base-Backbone interact. energy: -0.023
local terms energy: -89.861081
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -16.856
flat angles C4'-P-C4' energy: -17.554
flat angles P-C4'-P energy: -13.482
tors. eta vs tors. theta energy: -24.534
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: 10
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -225.788014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.788014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.788014 (E_RNA)
where:
Base-Base interactions energy: -139.824
where: short stacking energy: -62.408
Base-Backbone interact. energy: -0.191
local terms energy: -85.772764
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -17.853
flat angles C4'-P-C4' energy: -20.423
flat angles P-C4'-P energy: -14.088
tors. eta vs tors. theta energy: -18.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -217.770266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.770266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.770266 (E_RNA)
where:
Base-Base interactions energy: -139.377
where: short stacking energy: -63.879
Base-Backbone interact. energy: 1.404
local terms energy: -79.797118
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -16.796
flat angles C4'-P-C4' energy: -19.067
flat angles P-C4'-P energy: -13.495
tors. eta vs tors. theta energy: -18.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -207.448305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.448305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.448305 (E_RNA)
where:
Base-Base interactions energy: -128.562
where: short stacking energy: -53.785
Base-Backbone interact. energy: -0.404
local terms energy: -78.482291
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -15.002
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -12.181
tors. eta vs tors. theta energy: -17.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -96.929068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.929068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.929068 (E_RNA)
where:
Base-Base interactions energy: -39.240
where: short stacking energy: -33.191
Base-Backbone interact. energy: -0.241
local terms energy: -57.448037
where:
bonds (distance) C4'-P energy: -9.554
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: -6.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -86.661034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.661034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.661034 (E_RNA)
where:
Base-Base interactions energy: -25.954
where: short stacking energy: -21.464
Base-Backbone interact. energy: -0.248
local terms energy: -60.458829
where:
bonds (distance) C4'-P energy: -17.691
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -16.601
flat angles P-C4'-P energy: -6.797
tors. eta vs tors. theta energy: -2.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -90.331799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.331799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.331799 (E_RNA)
where:
Base-Base interactions energy: -33.730
where: short stacking energy: -26.092
Base-Backbone interact. energy: -0.078
local terms energy: -56.524505
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -19.696
flat angles C4'-P-C4' energy: -13.045
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: 0.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -85.682912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.682912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.682912 (E_RNA)
where:
Base-Base interactions energy: -28.629
where: short stacking energy: -25.977
Base-Backbone interact. energy: -0.149
local terms energy: -56.905245
where:
bonds (distance) C4'-P energy: -11.818
bonds (distance) P-C4' energy: -19.475
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -7.687
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: 10, replica: 4
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -76.660349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.660349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.660349 (E_RNA)
where:
Base-Base interactions energy: -29.014
where: short stacking energy: -15.981
Base-Backbone interact. energy: -1.328
local terms energy: -46.318374
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -15.607
flat angles P-C4'-P energy: -5.522
tors. eta vs tors. theta energy: 5.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -256.003311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.003311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.003311 (E_RNA)
where:
Base-Base interactions energy: -168.257
where: short stacking energy: -82.442
Base-Backbone interact. energy: -0.616
local terms energy: -87.130666
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -19.160
flat angles P-C4'-P energy: -13.659
tors. eta vs tors. theta energy: -22.897
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: 273
Temperature: 0.950000
Total energy: -249.553149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.553149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.553149 (E_RNA)
where:
Base-Base interactions energy: -158.927
where: short stacking energy: -74.324
Base-Backbone interact. energy: -0.011
local terms energy: -90.615466
where:
bonds (distance) C4'-P energy: -17.905
bonds (distance) P-C4' energy: -14.494
flat angles C4'-P-C4' energy: -18.659
flat angles P-C4'-P energy: -14.596
tors. eta vs tors. theta energy: -24.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -224.044143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.044143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.044143 (E_RNA)
where:
Base-Base interactions energy: -145.530
where: short stacking energy: -65.778
Base-Backbone interact. energy: -0.303
local terms energy: -78.211906
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -16.882
flat angles C4'-P-C4' energy: -18.530
flat angles P-C4'-P energy: -11.584
tors. eta vs tors. theta energy: -17.190
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: 1
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -216.379867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.379867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.379867 (E_RNA)
where:
Base-Base interactions energy: -136.918
where: short stacking energy: -55.955
Base-Backbone interact. energy: -0.213
local terms energy: -79.249001
where:
bonds (distance) C4'-P energy: -12.055
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -13.602
tors. eta vs tors. theta energy: -19.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -195.686608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.686608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.686608 (E_RNA)
where:
Base-Base interactions energy: -113.788
where: short stacking energy: -55.716
Base-Backbone interact. energy: -0.027
local terms energy: -81.872092
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -18.746
flat angles C4'-P-C4' energy: -16.953
flat angles P-C4'-P energy: -13.313
tors. eta vs tors. theta energy: -17.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -113.692112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.692112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.692112 (E_RNA)
where:
Base-Base interactions energy: -45.378
where: short stacking energy: -38.935
Base-Backbone interact. energy: -0.193
local terms energy: -68.120733
where:
bonds (distance) C4'-P energy: -19.662
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -9.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -96.972180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.972180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.972180 (E_RNA)
where:
Base-Base interactions energy: -27.539
where: short stacking energy: -27.539
Base-Backbone interact. energy: -0.086
local terms energy: -69.347095
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -16.065
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -11.897
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: 8, replica: 3
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -96.294219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.294219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.294219 (E_RNA)
where:
Base-Base interactions energy: -44.102
where: short stacking energy: -33.379
Base-Backbone interact. energy: 0.944
local terms energy: -53.135976
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -18.086
flat angles C4'-P-C4' energy: -8.847
flat angles P-C4'-P energy: -6.476
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: 9, replica: 2
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -100.418785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.418785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.418785 (E_RNA)
where:
Base-Base interactions energy: -45.192
where: short stacking energy: -34.217
Base-Backbone interact. energy: -0.034
local terms energy: -55.192503
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -13.580
flat angles C4'-P-C4' energy: -11.722
flat angles P-C4'-P energy: -7.290
tors. eta vs tors. theta energy: -7.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -80.500541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.500541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.500541 (E_RNA)
where:
Base-Base interactions energy: -34.505
where: short stacking energy: -15.523
Base-Backbone interact. energy: -0.260
local terms energy: -45.735560
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -17.372
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -6.549
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: 1, replica: 6
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -237.641247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.641247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.641247 (E_RNA)
where:
Base-Base interactions energy: -153.926
where: short stacking energy: -63.153
Base-Backbone interact. energy: -0.259
local terms energy: -83.455556
where:
bonds (distance) C4'-P energy: -14.205
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -20.079
flat angles P-C4'-P energy: -15.648
tors. eta vs tors. theta energy: -16.486
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: 2, replica: 9
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -241.505038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.505038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.505038 (E_RNA)
where:
Base-Base interactions energy: -154.744
where: short stacking energy: -71.579
Base-Backbone interact. energy: -0.050
local terms energy: -86.710832
where:
bonds (distance) C4'-P energy: -18.111
bonds (distance) P-C4' energy: -16.334
flat angles C4'-P-C4' energy: -17.743
flat angles P-C4'-P energy: -14.005
tors. eta vs tors. theta energy: -20.519
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: 10
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -205.906282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.906282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.906282 (E_RNA)
where:
Base-Base interactions energy: -132.271
where: short stacking energy: -52.297
Base-Backbone interact. energy: -0.432
local terms energy: -73.202741
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -18.696
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -12.972
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: 1
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -207.629389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.629389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.629389 (E_RNA)
where:
Base-Base interactions energy: -120.705
where: short stacking energy: -65.363
Base-Backbone interact. energy: -0.010
local terms energy: -86.914432
where:
bonds (distance) C4'-P energy: -17.550
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -18.044
flat angles P-C4'-P energy: -13.915
tors. eta vs tors. theta energy: -21.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -183.348687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.348687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.348687 (E_RNA)
where:
Base-Base interactions energy: -103.798
where: short stacking energy: -52.578
Base-Backbone interact. energy: -0.108
local terms energy: -79.442484
where:
bonds (distance) C4'-P energy: -16.967
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -18.822
flat angles P-C4'-P energy: -13.107
tors. eta vs tors. theta energy: -15.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -99.223956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.223956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.223956 (E_RNA)
where:
Base-Base interactions energy: -36.563
where: short stacking energy: -35.894
Base-Backbone interact. energy: -0.145
local terms energy: -62.515996
where:
bonds (distance) C4'-P energy: -18.846
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -4.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -95.641785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.641785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.641785 (E_RNA)
where:
Base-Base interactions energy: -30.734
where: short stacking energy: -30.734
Base-Backbone interact. energy: -0.292
local terms energy: -64.615856
where:
bonds (distance) C4'-P energy: -18.552
bonds (distance) P-C4' energy: -14.890
flat angles C4'-P-C4' energy: -16.302
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -3.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -83.452200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.452200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.452200 (E_RNA)
where:
Base-Base interactions energy: -31.127
where: short stacking energy: -27.297
Base-Backbone interact. energy: -0.310
local terms energy: -52.015189
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -13.199
flat angles C4'-P-C4' energy: -13.885
flat angles P-C4'-P energy: -4.888
tors. eta vs tors. theta energy: -2.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -81.945290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.945290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.945290 (E_RNA)
where:
Base-Base interactions energy: -27.676
where: short stacking energy: -22.566
Base-Backbone interact. energy: -0.537
local terms energy: -53.732152
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -11.567
flat angles P-C4'-P energy: -11.977
tors. eta vs tors. theta energy: 1.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -83.940774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.940774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.940774 (E_RNA)
where:
Base-Base interactions energy: -30.991
where: short stacking energy: -27.151
Base-Backbone interact. energy: 1.086
local terms energy: -54.035573
where:
bonds (distance) C4'-P energy: -18.901
bonds (distance) P-C4' energy: -12.314
flat angles C4'-P-C4' energy: -10.366
flat angles P-C4'-P energy: -7.589
tors. eta vs tors. theta energy: -4.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -241.412671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.412671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.412671 (E_RNA)
where:
Base-Base interactions energy: -163.389
where: short stacking energy: -73.933
Base-Backbone interact. energy: -0.410
local terms energy: -77.613653
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -15.471
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -18.824
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: 10
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -207.911281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.911281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.911281 (E_RNA)
where:
Base-Base interactions energy: -133.310
where: short stacking energy: -68.100
Base-Backbone interact. energy: -0.107
local terms energy: -74.493980
where:
bonds (distance) C4'-P energy: -9.963
bonds (distance) P-C4' energy: -19.958
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -13.135
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: 3, replica: 9
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -255.217584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.217584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.217584 (E_RNA)
where:
Base-Base interactions energy: -179.262
where: short stacking energy: -78.792
Base-Backbone interact. energy: -0.053
local terms energy: -75.901982
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -18.663
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -21.019
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: 1
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -208.467725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.467725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.467725 (E_RNA)
where:
Base-Base interactions energy: -127.206
where: short stacking energy: -71.714
Base-Backbone interact. energy: -0.002
local terms energy: -81.259657
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -17.247
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -10.624
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: 5, replica: 7
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -159.935018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.935018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.935018 (E_RNA)
where:
Base-Base interactions energy: -92.347
where: short stacking energy: -44.641
Base-Backbone interact. energy: 1.256
local terms energy: -68.844314
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -15.396
tors. eta vs tors. theta energy: -8.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -95.475671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.475671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.475671 (E_RNA)
where:
Base-Base interactions energy: -29.312
where: short stacking energy: -26.079
Base-Backbone interact. energy: -0.107
local terms energy: -66.056907
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -12.926
tors. eta vs tors. theta energy: -7.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -98.746231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.746231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.746231 (E_RNA)
where:
Base-Base interactions energy: -30.409
where: short stacking energy: -29.435
Base-Backbone interact. energy: -0.095
local terms energy: -68.241700
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -20.613
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -3.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -89.083760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.083760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.083760 (E_RNA)
where:
Base-Base interactions energy: -39.736
where: short stacking energy: -23.839
Base-Backbone interact. energy: -0.564
local terms energy: -48.783270
where:
bonds (distance) C4'-P energy: -11.471
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -7.021
tors. eta vs tors. theta energy: 0.848
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: 9, replica: 3
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -89.822451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.822451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.822451 (E_RNA)
where:
Base-Base interactions energy: -36.330
where: short stacking energy: -27.941
Base-Backbone interact. energy: -0.290
local terms energy: -53.202126
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -18.977
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -5.481
tors. eta vs tors. theta energy: 0.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -84.164003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.164003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.164003 (E_RNA)
where:
Base-Base interactions energy: -24.100
where: short stacking energy: -13.756
Base-Backbone interact. energy: 0.150
local terms energy: -60.213333
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -19.089
flat angles C4'-P-C4' energy: -14.137
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -0.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -251.719484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.719484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.719484 (E_RNA)
where:
Base-Base interactions energy: -165.498
where: short stacking energy: -68.552
Base-Backbone interact. energy: -0.116
local terms energy: -86.105088
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -18.781
flat angles C4'-P-C4' energy: -19.492
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -20.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -215.222010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.222010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.222010 (E_RNA)
where:
Base-Base interactions energy: -129.027
where: short stacking energy: -75.298
Base-Backbone interact. energy: -0.087
local terms energy: -86.108663
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -19.108
flat angles C4'-P-C4' energy: -15.608
flat angles P-C4'-P energy: -13.833
tors. eta vs tors. theta energy: -21.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -256.460220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.460220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.460220 (E_RNA)
where:
Base-Base interactions energy: -165.948
where: short stacking energy: -69.632
Base-Backbone interact. energy: -0.144
local terms energy: -90.368650
where:
bonds (distance) C4'-P energy: -17.083
bonds (distance) P-C4' energy: -19.108
flat angles C4'-P-C4' energy: -19.160
flat angles P-C4'-P energy: -14.521
tors. eta vs tors. theta energy: -20.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -209.088284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.088284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.088284 (E_RNA)
where:
Base-Base interactions energy: -134.144
where: short stacking energy: -72.478
Base-Backbone interact. energy: -0.157
local terms energy: -74.788090
where:
bonds (distance) C4'-P energy: -15.405
bonds (distance) P-C4' energy: -7.557
flat angles C4'-P-C4' energy: -19.635
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -20.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -112.517891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.517891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.517891 (E_RNA)
where:
Base-Base interactions energy: -45.708
where: short stacking energy: -37.231
Base-Backbone interact. energy: -0.140
local terms energy: -66.669636
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -11.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -147.743565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.743565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.743565 (E_RNA)
where:
Base-Base interactions energy: -79.467
where: short stacking energy: -38.647
Base-Backbone interact. energy: -0.147
local terms energy: -68.129054
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -17.471
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -8.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -100.053769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.053769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.053769 (E_RNA)
where:
Base-Base interactions energy: -39.061
where: short stacking energy: -29.830
Base-Backbone interact. energy: -0.108
local terms energy: -60.885168
where:
bonds (distance) C4'-P energy: -17.001
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: -1.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -90.788175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.788175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.788175 (E_RNA)
where:
Base-Base interactions energy: -42.649
where: short stacking energy: -27.959
Base-Backbone interact. energy: -0.247
local terms energy: -47.892470
where:
bonds (distance) C4'-P energy: -11.410
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -12.500
flat angles P-C4'-P energy: -5.176
tors. eta vs tors. theta energy: -2.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -79.638547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.638547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.638547 (E_RNA)
where:
Base-Base interactions energy: -24.137
where: short stacking energy: -18.875
Base-Backbone interact. energy: 1.216
local terms energy: -56.717606
where:
bonds (distance) C4'-P energy: -10.814
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -18.374
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -2.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -95.193556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.193556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.193556 (E_RNA)
where:
Base-Base interactions energy: -40.290
where: short stacking energy: -38.748
Base-Backbone interact. energy: -0.366
local terms energy: -54.537513
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -4.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -248.452501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.452501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.452501 (E_RNA)
where:
Base-Base interactions energy: -159.644
where: short stacking energy: -75.898
Base-Backbone interact. energy: -0.000
local terms energy: -88.807748
where:
bonds (distance) C4'-P energy: -16.073
bonds (distance) P-C4' energy: -19.778
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -13.603
tors. eta vs tors. theta energy: -23.600
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: 2, replica: 9
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -259.740626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.740626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.740626 (E_RNA)
where:
Base-Base interactions energy: -164.206
where: short stacking energy: -79.830
Base-Backbone interact. energy: -0.065
local terms energy: -95.469308
where:
bonds (distance) C4'-P energy: -16.902
bonds (distance) P-C4' energy: -19.112
flat angles C4'-P-C4' energy: -17.994
flat angles P-C4'-P energy: -13.582
tors. eta vs tors. theta energy: -27.880
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: 3, replica: 10
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -207.524443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.524443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.524443 (E_RNA)
where:
Base-Base interactions energy: -127.809
where: short stacking energy: -77.909
Base-Backbone interact. energy: -0.006
local terms energy: -79.709890
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -18.006
flat angles P-C4'-P energy: -13.643
tors. eta vs tors. theta energy: -16.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -198.368914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.368914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.368914 (E_RNA)
where:
Base-Base interactions energy: -123.824
where: short stacking energy: -65.505
Base-Backbone interact. energy: -0.170
local terms energy: -74.374644
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -8.683
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -11.030
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: 8
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -111.670824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.670824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.670824 (E_RNA)
where:
Base-Base interactions energy: -53.255
where: short stacking energy: -35.515
Base-Backbone interact. energy: -0.738
local terms energy: -57.678023
where:
bonds (distance) C4'-P energy: -11.507
bonds (distance) P-C4' energy: -17.753
flat angles C4'-P-C4' energy: -13.506
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: -5.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -107.409905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.409905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.409905 (E_RNA)
where:
Base-Base interactions energy: -48.827
where: short stacking energy: -45.125
Base-Backbone interact. energy: -0.053
local terms energy: -58.529565
where:
bonds (distance) C4'-P energy: -6.271
bonds (distance) P-C4' energy: -18.892
flat angles C4'-P-C4' energy: -12.089
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -10.864
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: 7, replica: 7
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -111.661189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.661189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.661189 (E_RNA)
where:
Base-Base interactions energy: -51.705
where: short stacking energy: -33.737
Base-Backbone interact. energy: -0.581
local terms energy: -59.375101
where:
bonds (distance) C4'-P energy: -19.708
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -4.857
tors. eta vs tors. theta energy: -3.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -94.170006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.170006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.170006 (E_RNA)
where:
Base-Base interactions energy: -39.490
where: short stacking energy: -30.699
Base-Backbone interact. energy: -0.190
local terms energy: -54.489353
where:
bonds (distance) C4'-P energy: -11.922
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -3.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -96.537438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.537438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.537438 (E_RNA)
where:
Base-Base interactions energy: -39.775
where: short stacking energy: -29.673
Base-Backbone interact. energy: -0.355
local terms energy: -56.407827
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -12.873
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: -2.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -85.553582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.553582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.553582 (E_RNA)
where:
Base-Base interactions energy: -33.784
where: short stacking energy: -17.060
Base-Backbone interact. energy: -0.497
local terms energy: -51.272059
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -17.293
flat angles C4'-P-C4' energy: -12.459
flat angles P-C4'-P energy: -7.498
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: 1, replica: 9
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -252.654581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.654581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.654581 (E_RNA)
where:
Base-Base interactions energy: -162.885
where: short stacking energy: -69.872
Base-Backbone interact. energy: 0.625
local terms energy: -90.394875
where:
bonds (distance) C4'-P energy: -18.699
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -19.362
flat angles P-C4'-P energy: -15.255
tors. eta vs tors. theta energy: -20.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -249.665711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.665711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.665711 (E_RNA)
where:
Base-Base interactions energy: -164.164
where: short stacking energy: -66.120
Base-Backbone interact. energy: -0.080
local terms energy: -85.422196
where:
bonds (distance) C4'-P energy: -18.207
bonds (distance) P-C4' energy: -17.906
flat angles C4'-P-C4' energy: -19.426
flat angles P-C4'-P energy: -8.166
tors. eta vs tors. theta energy: -21.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -217.440628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.440628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.440628 (E_RNA)
where:
Base-Base interactions energy: -136.298
where: short stacking energy: -69.543
Base-Backbone interact. energy: -0.024
local terms energy: -81.118655
where:
bonds (distance) C4'-P energy: -16.962
bonds (distance) P-C4' energy: -14.845
flat angles C4'-P-C4' energy: -16.074
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -20.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -202.763371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.763371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.763371 (E_RNA)
where:
Base-Base interactions energy: -129.750
where: short stacking energy: -62.413
Base-Backbone interact. energy: -0.099
local terms energy: -72.913755
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -18.084
flat angles P-C4'-P energy: -12.459
tors. eta vs tors. theta energy: -16.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -128.294483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.294483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.294483 (E_RNA)
where:
Base-Base interactions energy: -60.954
where: short stacking energy: -38.595
Base-Backbone interact. energy: -0.137
local terms energy: -67.203133
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -19.779
flat angles P-C4'-P energy: -9.019
tors. eta vs tors. theta energy: -4.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -109.685026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.685026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.685026 (E_RNA)
where:
Base-Base interactions energy: -43.573
where: short stacking energy: -22.356
Base-Backbone interact. energy: -0.587
local terms energy: -65.524812
where:
bonds (distance) C4'-P energy: -18.599
bonds (distance) P-C4' energy: -18.319
flat angles C4'-P-C4' energy: -16.627
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -2.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -100.894177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.894177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.894177 (E_RNA)
where:
Base-Base interactions energy: -34.112
where: short stacking energy: -32.043
Base-Backbone interact. energy: -2.082
local terms energy: -64.700262
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -13.872
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: 8, replica: 2
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -91.501331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.501331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.501331 (E_RNA)
where:
Base-Base interactions energy: -26.775
where: short stacking energy: -21.739
Base-Backbone interact. energy: -0.222
local terms energy: -64.503532
where:
bonds (distance) C4'-P energy: -18.351
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -9.825
tors. eta vs tors. theta energy: -2.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -92.431069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.431069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.431069 (E_RNA)
where:
Base-Base interactions energy: -35.127
where: short stacking energy: -24.329
Base-Backbone interact. energy: -0.374
local terms energy: -56.930556
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -18.845
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -0.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -81.439636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.439636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.439636 (E_RNA)
where:
Base-Base interactions energy: -34.345
where: short stacking energy: -18.224
Base-Backbone interact. energy: -0.549
local terms energy: -46.545193
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -4.782
tors. eta vs tors. theta energy: 3.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -261.978541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.978541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.978541 (E_RNA)
where:
Base-Base interactions energy: -168.173
where: short stacking energy: -77.168
Base-Backbone interact. energy: -1.313
local terms energy: -92.492769
where:
bonds (distance) C4'-P energy: -18.856
bonds (distance) P-C4' energy: -18.179
flat angles C4'-P-C4' energy: -17.193
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -27.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -219.912606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.912606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.912606 (E_RNA)
where:
Base-Base interactions energy: -133.552
where: short stacking energy: -71.978
Base-Backbone interact. energy: -0.837
local terms energy: -85.524209
where:
bonds (distance) C4'-P energy: -16.025
bonds (distance) P-C4' energy: -17.999
flat angles C4'-P-C4' energy: -17.316
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -21.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -245.312488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.312488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.312488 (E_RNA)
where:
Base-Base interactions energy: -163.295
where: short stacking energy: -75.450
Base-Backbone interact. energy: -0.011
local terms energy: -82.007180
where:
bonds (distance) C4'-P energy: -16.950
bonds (distance) P-C4' energy: -18.185
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -20.277
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: 279
Temperature: 1.050000
Total energy: -203.614109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.614109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.614109 (E_RNA)
where:
Base-Base interactions energy: -117.189
where: short stacking energy: -64.189
Base-Backbone interact. energy: -0.004
local terms energy: -86.421114
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -20.180
flat angles C4'-P-C4' energy: -17.669
flat angles P-C4'-P energy: -13.139
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: 5, replica: 5
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -98.169813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.169813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.169813 (E_RNA)
where:
Base-Base interactions energy: -37.544
where: short stacking energy: -32.667
Base-Backbone interact. energy: -0.118
local terms energy: -60.507471
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -19.312
flat angles C4'-P-C4' energy: -10.797
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: -2.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -106.202085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.202085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.202085 (E_RNA)
where:
Base-Base interactions energy: -41.279
where: short stacking energy: -36.808
Base-Backbone interact. energy: -0.037
local terms energy: -64.885478
where:
bonds (distance) C4'-P energy: -16.259
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -14.780
flat angles P-C4'-P energy: -11.626
tors. eta vs tors. theta energy: -8.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -97.737738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.737738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.737738 (E_RNA)
where:
Base-Base interactions energy: -42.237
where: short stacking energy: -32.776
Base-Backbone interact. energy: -0.768
local terms energy: -54.732773
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -10.997
flat angles C4'-P-C4' energy: -10.563
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -6.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -95.464252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.464252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.464252 (E_RNA)
where:
Base-Base interactions energy: -44.809
where: short stacking energy: -21.150
Base-Backbone interact. energy: -0.197
local terms energy: -50.457774
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -15.525
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -7.568
tors. eta vs tors. theta energy: 1.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -91.893092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.893092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.893092 (E_RNA)
where:
Base-Base interactions energy: -36.078
where: short stacking energy: -35.431
Base-Backbone interact. energy: -0.233
local terms energy: -55.582296
where:
bonds (distance) C4'-P energy: -11.912
bonds (distance) P-C4' energy: -12.077
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -8.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -93.433638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.433638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.433638 (E_RNA)
where:
Base-Base interactions energy: -35.257
where: short stacking energy: -34.426
Base-Backbone interact. energy: 0.179
local terms energy: -58.355117
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -11.140
flat angles C4'-P-C4' energy: -20.034
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -0.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -253.445520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.445520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.445520 (E_RNA)
where:
Base-Base interactions energy: -167.532
where: short stacking energy: -82.718
Base-Backbone interact. energy: -0.002
local terms energy: -85.911127
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -19.656
flat angles P-C4'-P energy: -15.037
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: 2, replica: 1
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -224.310098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.310098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.310098 (E_RNA)
where:
Base-Base interactions energy: -141.693
where: short stacking energy: -78.289
Base-Backbone interact. energy: 0.611
local terms energy: -83.227571
where:
bonds (distance) C4'-P energy: -8.676
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -20.878
flat angles P-C4'-P energy: -12.545
tors. eta vs tors. theta energy: -23.666
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: 280
Temperature: 1.000000
Total energy: -232.207743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.207743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.207743 (E_RNA)
where:
Base-Base interactions energy: -151.189
where: short stacking energy: -68.160
Base-Backbone interact. energy: -1.414
local terms energy: -79.605348
where:
bonds (distance) C4'-P energy: -17.391
bonds (distance) P-C4' energy: -12.655
flat angles C4'-P-C4' energy: -18.827
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -20.169
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: 10
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -207.350252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.350252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.350252 (E_RNA)
where:
Base-Base interactions energy: -126.076
where: short stacking energy: -71.406
Base-Backbone interact. energy: -0.048
local terms energy: -81.226202
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -17.448
flat angles P-C4'-P energy: -8.882
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: 5, replica: 8
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -110.588724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.588724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.588724 (E_RNA)
where:
Base-Base interactions energy: -43.686
where: short stacking energy: -43.686
Base-Backbone interact. energy: 0.341
local terms energy: -67.244093
where:
bonds (distance) C4'-P energy: -9.798
bonds (distance) P-C4' energy: -17.459
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: -11.986
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: 5
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -130.400844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.400844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.400844 (E_RNA)
where:
Base-Base interactions energy: -59.212
where: short stacking energy: -40.123
Base-Backbone interact. energy: -1.054
local terms energy: -70.134825
where:
bonds (distance) C4'-P energy: -18.201
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -17.137
flat angles P-C4'-P energy: -11.874
tors. eta vs tors. theta energy: -9.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -137.030993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.030993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.030993 (E_RNA)
where:
Base-Base interactions energy: -71.110
where: short stacking energy: -40.261
Base-Backbone interact. energy: 0.139
local terms energy: -66.059849
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -19.466
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: -3.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -87.710819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.710819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.710819 (E_RNA)
where:
Base-Base interactions energy: -32.747
where: short stacking energy: -32.747
Base-Backbone interact. energy: -0.396
local terms energy: -54.567094
where:
bonds (distance) C4'-P energy: -17.929
bonds (distance) P-C4' energy: -13.764
flat angles C4'-P-C4' energy: -10.105
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -3.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -106.020429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.020429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.020429 (E_RNA)
where:
Base-Base interactions energy: -43.570
where: short stacking energy: -38.630
Base-Backbone interact. energy: -0.055
local terms energy: -62.395386
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -5.349
tors. eta vs tors. theta energy: -11.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -74.405616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.405616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.405616 (E_RNA)
where:
Base-Base interactions energy: -17.790
where: short stacking energy: -10.658
Base-Backbone interact. energy: -0.432
local terms energy: -56.183610
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -15.785
flat angles C4'-P-C4' energy: -17.975
flat angles P-C4'-P energy: -5.996
tors. eta vs tors. theta energy: -0.975
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: 1, replica: 9
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -261.929969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.929969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.929969 (E_RNA)
where:
Base-Base interactions energy: -171.963
where: short stacking energy: -85.867
Base-Backbone interact. energy: -0.764
local terms energy: -89.203511
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -13.266
flat angles C4'-P-C4' energy: -18.920
flat angles P-C4'-P energy: -13.715
tors. eta vs tors. theta energy: -28.168
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: 6
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -248.701505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.701505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.701505 (E_RNA)
where:
Base-Base interactions energy: -158.259
where: short stacking energy: -78.209
Base-Backbone interact. energy: -0.040
local terms energy: -90.402131
where:
bonds (distance) C4'-P energy: -17.560
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -18.805
flat angles P-C4'-P energy: -15.076
tors. eta vs tors. theta energy: -21.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -202.022090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.022090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.022090 (E_RNA)
where:
Base-Base interactions energy: -130.730
where: short stacking energy: -64.059
Base-Backbone interact. energy: -0.037
local terms energy: -71.254593
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -19.700
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -4.880
tors. eta vs tors. theta energy: -14.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -203.887596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.887596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.887596 (E_RNA)
where:
Base-Base interactions energy: -121.342
where: short stacking energy: -65.165
Base-Backbone interact. energy: -0.126
local terms energy: -82.419514
where:
bonds (distance) C4'-P energy: -16.923
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -20.592
flat angles P-C4'-P energy: -11.169
tors. eta vs tors. theta energy: -18.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -112.849642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.849642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.849642 (E_RNA)
where:
Base-Base interactions energy: -43.146
where: short stacking energy: -38.939
Base-Backbone interact. energy: -0.159
local terms energy: -69.544505
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -18.145
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -10.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -111.257960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.257960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.257960 (E_RNA)
where:
Base-Base interactions energy: -51.386
where: short stacking energy: -43.362
Base-Backbone interact. energy: 0.050
local terms energy: -59.921500
where:
bonds (distance) C4'-P energy: -10.133
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -7.253
tors. eta vs tors. theta energy: -9.659
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: 2
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -139.123341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.123341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.123341 (E_RNA)
where:
Base-Base interactions energy: -75.697
where: short stacking energy: -30.973
Base-Backbone interact. energy: -0.091
local terms energy: -63.335347
where:
bonds (distance) C4'-P energy: -17.080
bonds (distance) P-C4' energy: -15.320
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -3.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -88.656656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.656656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.656656 (E_RNA)
where:
Base-Base interactions energy: -33.216
where: short stacking energy: -33.216
Base-Backbone interact. energy: -0.078
local terms energy: -55.362478
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -16.267
flat angles C4'-P-C4' energy: -10.686
flat angles P-C4'-P energy: -6.864
tors. eta vs tors. theta energy: -5.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -90.611416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.611416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.611416 (E_RNA)
where:
Base-Base interactions energy: -31.105
where: short stacking energy: -23.681
Base-Backbone interact. energy: -1.974
local terms energy: -57.532380
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -17.805
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: 0.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -77.640113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.640113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.640113 (E_RNA)
where:
Base-Base interactions energy: -26.547
where: short stacking energy: -26.547
Base-Backbone interact. energy: 0.894
local terms energy: -51.986753
where:
bonds (distance) C4'-P energy: -19.088
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -10.855
flat angles P-C4'-P energy: -3.532
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: 1, replica: 9
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -266.535715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.535715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.535715 (E_RNA)
where:
Base-Base interactions energy: -172.535
where: short stacking energy: -85.154
Base-Backbone interact. energy: -0.220
local terms energy: -93.780568
where:
bonds (distance) C4'-P energy: -19.033
bonds (distance) P-C4' energy: -18.185
flat angles C4'-P-C4' energy: -17.567
flat angles P-C4'-P energy: -13.667
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: 2, replica: 6
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -249.868737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.868737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.868737 (E_RNA)
where:
Base-Base interactions energy: -161.934
where: short stacking energy: -75.594
Base-Backbone interact. energy: -0.000
local terms energy: -87.934605
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -19.005
flat angles C4'-P-C4' energy: -17.749
flat angles P-C4'-P energy: -14.085
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: 3, replica: 10
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -198.830979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.830979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.830979 (E_RNA)
where:
Base-Base interactions energy: -127.054
where: short stacking energy: -58.560
Base-Backbone interact. energy: -0.021
local terms energy: -71.755696
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -9.884
flat angles C4'-P-C4' energy: -17.234
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -17.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -197.097626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.097626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.097626 (E_RNA)
where:
Base-Base interactions energy: -122.679
where: short stacking energy: -63.145
Base-Backbone interact. energy: -0.315
local terms energy: -74.102942
where:
bonds (distance) C4'-P energy: -12.067
bonds (distance) P-C4' energy: -16.387
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -14.773
tors. eta vs tors. theta energy: -15.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -177.732309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.732309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.732309 (E_RNA)
where:
Base-Base interactions energy: -107.918
where: short stacking energy: -57.270
Base-Backbone interact. energy: -0.047
local terms energy: -69.767579
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -8.939
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: 8
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -99.456260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.456260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.456260 (E_RNA)
where:
Base-Base interactions energy: -42.719
where: short stacking energy: -29.147
Base-Backbone interact. energy: -0.198
local terms energy: -56.538959
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -8.116
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: 7, replica: 3
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -96.383205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.383205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.383205 (E_RNA)
where:
Base-Base interactions energy: -40.273
where: short stacking energy: -26.170
Base-Backbone interact. energy: -0.276
local terms energy: -55.834510
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -9.714
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: 8, replica: 2
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -104.046805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.046805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.046805 (E_RNA)
where:
Base-Base interactions energy: -39.122
where: short stacking energy: -36.862
Base-Backbone interact. energy: -0.120
local terms energy: -64.804544
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -16.080
flat angles C4'-P-C4' energy: -10.601
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -11.820
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: 7
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -79.042738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.042738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.042738 (E_RNA)
where:
Base-Base interactions energy: -32.544
where: short stacking energy: -31.643
Base-Backbone interact. energy: 0.297
local terms energy: -46.796439
where:
bonds (distance) C4'-P energy: -11.409
bonds (distance) P-C4' energy: -12.299
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: 0.714
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: 10, replica: 4
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -76.365776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.365776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.365776 (E_RNA)
where:
Base-Base interactions energy: -11.018
where: short stacking energy: -11.018
Base-Backbone interact. energy: -0.212
local terms energy: -65.134981
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -18.188
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -4.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -260.645273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.645273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.645273 (E_RNA)
where:
Base-Base interactions energy: -168.021
where: short stacking energy: -78.296
Base-Backbone interact. energy: 0.057
local terms energy: -92.681303
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -17.586
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -15.299
tors. eta vs tors. theta energy: -26.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -211.533839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.533839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.533839 (E_RNA)
where:
Base-Base interactions energy: -134.912
where: short stacking energy: -60.719
Base-Backbone interact. energy: -0.128
local terms energy: -76.493202
where:
bonds (distance) C4'-P energy: -16.236
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -17.087
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -14.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -239.859501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.859501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.859501 (E_RNA)
where:
Base-Base interactions energy: -153.626
where: short stacking energy: -75.294
Base-Backbone interact. energy: 0.498
local terms energy: -86.730771
where:
bonds (distance) C4'-P energy: -16.592
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -18.204
flat angles P-C4'-P energy: -13.830
tors. eta vs tors. theta energy: -21.725
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: 5
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -180.749367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.749367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.749367 (E_RNA)
where:
Base-Base interactions energy: -103.916
where: short stacking energy: -51.812
Base-Backbone interact. energy: -0.085
local terms energy: -76.748788
where:
bonds (distance) C4'-P energy: -17.348
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -17.730
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -13.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -189.393339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.393339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.393339 (E_RNA)
where:
Base-Base interactions energy: -111.476
where: short stacking energy: -52.307
Base-Backbone interact. energy: -0.138
local terms energy: -77.779762
where:
bonds (distance) C4'-P energy: -18.972
bonds (distance) P-C4' energy: -19.715
flat angles C4'-P-C4' energy: -18.584
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -11.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -99.334631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.334631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.334631 (E_RNA)
where:
Base-Base interactions energy: -43.569
where: short stacking energy: -32.310
Base-Backbone interact. energy: -0.121
local terms energy: -55.645091
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -14.432
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -2.994
tors. eta vs tors. theta energy: -10.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -91.813830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.813830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.813830 (E_RNA)
where:
Base-Base interactions energy: -45.641
where: short stacking energy: -29.188
Base-Backbone interact. energy: -1.532
local terms energy: -44.640516
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -3.157
flat angles P-C4'-P energy: -6.020
tors. eta vs tors. theta energy: -5.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -101.895205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.895205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.895205 (E_RNA)
where:
Base-Base interactions energy: -39.199
where: short stacking energy: -34.599
Base-Backbone interact. energy: -0.218
local terms energy: -62.478042
where:
bonds (distance) C4'-P energy: -19.422
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -4.863
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: -7.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -106.411651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.411651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.411651 (E_RNA)
where:
Base-Base interactions energy: -38.657
where: short stacking energy: -37.497
Base-Backbone interact. energy: -0.014
local terms energy: -67.740808
where:
bonds (distance) C4'-P energy: -17.174
bonds (distance) P-C4' energy: -17.085
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -6.103
tors. eta vs tors. theta energy: -11.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -81.453432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.453432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.453432 (E_RNA)
where:
Base-Base interactions energy: -32.404
where: short stacking energy: -29.179
Base-Backbone interact. energy: -0.741
local terms energy: -48.308843
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -11.022
flat angles C4'-P-C4' energy: -10.315
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: -0.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -256.052169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.052169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.052169 (E_RNA)
where:
Base-Base interactions energy: -169.475
where: short stacking energy: -83.063
Base-Backbone interact. energy: -0.015
local terms energy: -86.561632
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -16.655
flat angles C4'-P-C4' energy: -19.415
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -24.298
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: 10
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -230.938138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.938138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.938138 (E_RNA)
where:
Base-Base interactions energy: -147.507
where: short stacking energy: -68.188
Base-Backbone interact. energy: -0.691
local terms energy: -82.740525
where:
bonds (distance) C4'-P energy: -18.164
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -17.386
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -20.074
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: 6
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -255.896560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.896560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.896560 (E_RNA)
where:
Base-Base interactions energy: -162.456
where: short stacking energy: -82.862
Base-Backbone interact. energy: -1.662
local terms energy: -91.777919
where:
bonds (distance) C4'-P energy: -18.615
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -16.643
flat angles P-C4'-P energy: -13.713
tors. eta vs tors. theta energy: -25.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -178.014632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.014632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.014632 (E_RNA)
where:
Base-Base interactions energy: -106.548
where: short stacking energy: -52.537
Base-Backbone interact. energy: -0.467
local terms energy: -70.999587
where:
bonds (distance) C4'-P energy: -13.189
bonds (distance) P-C4' energy: -18.076
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: -15.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -194.182793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.182793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.182793 (E_RNA)
where:
Base-Base interactions energy: -117.050
where: short stacking energy: -52.077
Base-Backbone interact. energy: -1.004
local terms energy: -76.128753
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -14.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -110.161975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.161975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.161975 (E_RNA)
where:
Base-Base interactions energy: -50.964
where: short stacking energy: -50.808
Base-Backbone interact. energy: 0.009
local terms energy: -59.206620
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -14.171
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: -5.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -95.712874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.712874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.712874 (E_RNA)
where:
Base-Base interactions energy: -37.755
where: short stacking energy: -34.085
Base-Backbone interact. energy: -0.188
local terms energy: -57.769398
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -4.213
tors. eta vs tors. theta energy: -5.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -88.086890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.086890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.086890 (E_RNA)
where:
Base-Base interactions energy: -28.870
where: short stacking energy: -25.204
Base-Backbone interact. energy: -0.363
local terms energy: -58.853484
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -15.492
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -2.277
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: 4
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -90.252756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.252756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.252756 (E_RNA)
where:
Base-Base interactions energy: -32.357
where: short stacking energy: -20.959
Base-Backbone interact. energy: -0.500
local terms energy: -57.396082
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -17.851
flat angles C4'-P-C4' energy: -16.627
flat angles P-C4'-P energy: -6.250
tors. eta vs tors. theta energy: -1.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -77.440500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.440500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.440500 (E_RNA)
where:
Base-Base interactions energy: -26.953
where: short stacking energy: -26.953
Base-Backbone interact. energy: -0.021
local terms energy: -50.466399
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -10.389
flat angles C4'-P-C4' energy: -14.601
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -1.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -259.075400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.075400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.075400 (E_RNA)
where:
Base-Base interactions energy: -169.483
where: short stacking energy: -87.434
Base-Backbone interact. energy: 0.018
local terms energy: -89.610203
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -17.519
flat angles P-C4'-P energy: -13.759
tors. eta vs tors. theta energy: -27.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -256.583894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.583894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.583894 (E_RNA)
where:
Base-Base interactions energy: -166.649
where: short stacking energy: -86.915
Base-Backbone interact. energy: -0.001
local terms energy: -89.933226
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -19.219
flat angles C4'-P-C4' energy: -18.198
flat angles P-C4'-P energy: -13.752
tors. eta vs tors. theta energy: -23.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -214.000046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.000046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.000046 (E_RNA)
where:
Base-Base interactions energy: -128.105
where: short stacking energy: -60.102
Base-Backbone interact. energy: -0.063
local terms energy: -85.832746
where:
bonds (distance) C4'-P energy: -15.130
bonds (distance) P-C4' energy: -18.570
flat angles C4'-P-C4' energy: -18.479
flat angles P-C4'-P energy: -13.360
tors. eta vs tors. theta energy: -20.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -193.989147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.989147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.989147 (E_RNA)
where:
Base-Base interactions energy: -112.041
where: short stacking energy: -47.687
Base-Backbone interact. energy: -0.090
local terms energy: -81.858210
where:
bonds (distance) C4'-P energy: -16.913
bonds (distance) P-C4' energy: -18.627
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -13.349
tors. eta vs tors. theta energy: -16.107
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: 5
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -177.785088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.785088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.785088 (E_RNA)
where:
Base-Base interactions energy: -111.938
where: short stacking energy: -54.207
Base-Backbone interact. energy: -0.231
local terms energy: -65.616146
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -12.963
flat angles C4'-P-C4' energy: -17.331
flat angles P-C4'-P energy: -7.619
tors. eta vs tors. theta energy: -11.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -110.611803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.611803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.611803 (E_RNA)
where:
Base-Base interactions energy: -44.964
where: short stacking energy: -44.964
Base-Backbone interact. energy: -0.005
local terms energy: -65.642444
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -18.816
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -6.490
tors. eta vs tors. theta energy: -13.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -129.202853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.202853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.202853 (E_RNA)
where:
Base-Base interactions energy: -67.535
where: short stacking energy: -43.697
Base-Backbone interact. energy: 0.168
local terms energy: -61.835571
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -14.521
flat angles C4'-P-C4' energy: -14.089
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -9.057
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: 285
Temperature: 1.250000
Total energy: -101.831548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.831548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.831548 (E_RNA)
where:
Base-Base interactions energy: -43.244
where: short stacking energy: -27.120
Base-Backbone interact. energy: -0.904
local terms energy: -57.682730
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -17.748
flat angles C4'-P-C4' energy: -18.659
flat angles P-C4'-P energy: -6.978
tors. eta vs tors. theta energy: -1.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -89.138884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.138884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.138884 (E_RNA)
where:
Base-Base interactions energy: -41.280
where: short stacking energy: -33.230
Base-Backbone interact. energy: 0.516
local terms energy: -48.374471
where:
bonds (distance) C4'-P energy: -7.980
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -12.177
flat angles P-C4'-P energy: -7.413
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: 2
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -82.528634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.528634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.528634 (E_RNA)
where:
Base-Base interactions energy: -35.791
where: short stacking energy: -34.025
Base-Backbone interact. energy: -0.581
local terms energy: -46.157033
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -9.657
flat angles P-C4'-P energy: -6.978
tors. eta vs tors. theta energy: 1.223
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: 6
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -264.812501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.812501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.812501 (E_RNA)
where:
Base-Base interactions energy: -171.440
where: short stacking energy: -84.173
Base-Backbone interact. energy: -0.318
local terms energy: -93.054038
where:
bonds (distance) C4'-P energy: -17.708
bonds (distance) P-C4' energy: -20.172
flat angles C4'-P-C4' energy: -20.498
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -24.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -257.046020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.046020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.046020 (E_RNA)
where:
Base-Base interactions energy: -162.852
where: short stacking energy: -76.787
Base-Backbone interact. energy: -0.032
local terms energy: -94.161912
where:
bonds (distance) C4'-P energy: -18.152
bonds (distance) P-C4' energy: -19.052
flat angles C4'-P-C4' energy: -19.087
flat angles P-C4'-P energy: -13.888
tors. eta vs tors. theta energy: -23.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -211.088415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.088415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.088415 (E_RNA)
where:
Base-Base interactions energy: -130.319
where: short stacking energy: -68.983
Base-Backbone interact. energy: -0.202
local terms energy: -80.568395
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -19.280
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -14.777
tors. eta vs tors. theta energy: -17.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -203.156604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.156604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.156604 (E_RNA)
where:
Base-Base interactions energy: -126.482
where: short stacking energy: -65.326
Base-Backbone interact. energy: -0.176
local terms energy: -76.498319
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -12.546
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: 5, replica: 5
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -180.924469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.924469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.924469 (E_RNA)
where:
Base-Base interactions energy: -108.414
where: short stacking energy: -50.062
Base-Backbone interact. energy: -0.114
local terms energy: -72.397031
where:
bonds (distance) C4'-P energy: -16.185
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -12.795
tors. eta vs tors. theta energy: -12.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -107.683532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.683532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.683532 (E_RNA)
where:
Base-Base interactions energy: -41.517
where: short stacking energy: -26.442
Base-Backbone interact. energy: -0.008
local terms energy: -66.158856
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -18.850
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -9.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -120.933686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.933686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.933686 (E_RNA)
where:
Base-Base interactions energy: -54.144
where: short stacking energy: -27.814
Base-Backbone interact. energy: -0.284
local terms energy: -66.504896
where:
bonds (distance) C4'-P energy: -16.387
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -9.638
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: 8
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -91.140788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.140788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.140788 (E_RNA)
where:
Base-Base interactions energy: -31.665
where: short stacking energy: -18.150
Base-Backbone interact. energy: -0.032
local terms energy: -59.442921
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -10.930
flat angles P-C4'-P energy: -11.453
tors. eta vs tors. theta energy: -4.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -91.967036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.967036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.967036 (E_RNA)
where:
Base-Base interactions energy: -36.218
where: short stacking energy: -36.218
Base-Backbone interact. energy: -0.519
local terms energy: -55.230682
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: -5.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -84.065993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.065993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.065993 (E_RNA)
where:
Base-Base interactions energy: -31.589
where: short stacking energy: -23.052
Base-Backbone interact. energy: -0.111
local terms energy: -52.366099
where:
bonds (distance) C4'-P energy: -9.868
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -11.062
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -5.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -262.143211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.143211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.143211 (E_RNA)
where:
Base-Base interactions energy: -169.403
where: short stacking energy: -80.477
Base-Backbone interact. energy: -0.026
local terms energy: -92.714370
where:
bonds (distance) C4'-P energy: -17.654
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -19.130
flat angles P-C4'-P energy: -14.557
tors. eta vs tors. theta energy: -22.707
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: 287
Temperature: 0.950000
Total energy: -258.433900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.433900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.433900 (E_RNA)
where:
Base-Base interactions energy: -168.846
where: short stacking energy: -83.517
Base-Backbone interact. energy: -0.604
local terms energy: -88.983614
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -19.201
flat angles C4'-P-C4' energy: -18.084
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -24.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -214.321544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.321544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.321544 (E_RNA)
where:
Base-Base interactions energy: -131.940
where: short stacking energy: -66.620
Base-Backbone interact. energy: -0.377
local terms energy: -82.005105
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -18.755
flat angles C4'-P-C4' energy: -17.633
flat angles P-C4'-P energy: -12.213
tors. eta vs tors. theta energy: -17.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -206.255519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.255519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.255519 (E_RNA)
where:
Base-Base interactions energy: -125.320
where: short stacking energy: -71.111
Base-Backbone interact. energy: -0.000
local terms energy: -80.935247
where:
bonds (distance) C4'-P energy: -11.668
bonds (distance) P-C4' energy: -18.199
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -10.912
tors. eta vs tors. theta energy: -24.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -170.034677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.034677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.034677 (E_RNA)
where:
Base-Base interactions energy: -93.638
where: short stacking energy: -44.269
Base-Backbone interact. energy: 0.291
local terms energy: -76.687746
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -16.284
flat angles C4'-P-C4' energy: -20.343
flat angles P-C4'-P energy: -11.445
tors. eta vs tors. theta energy: -11.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -112.806351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.806351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.806351 (E_RNA)
where:
Base-Base interactions energy: -58.636
where: short stacking energy: -38.241
Base-Backbone interact. energy: -0.493
local terms energy: -53.677387
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -10.427
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -3.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -91.795541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.795541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.795541 (E_RNA)
where:
Base-Base interactions energy: -42.073
where: short stacking energy: -31.350
Base-Backbone interact. energy: -0.083
local terms energy: -49.639271
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -17.895
flat angles C4'-P-C4' energy: -6.360
flat angles P-C4'-P energy: -6.509
tors. eta vs tors. theta energy: -6.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -93.069996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.069996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.069996 (E_RNA)
where:
Base-Base interactions energy: -40.899
where: short stacking energy: -22.979
Base-Backbone interact. energy: -1.893
local terms energy: -50.278519
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -17.222
flat angles C4'-P-C4' energy: -10.433
flat angles P-C4'-P energy: -8.577
tors. eta vs tors. theta energy: 0.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -81.746539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.746539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.746539 (E_RNA)
where:
Base-Base interactions energy: -18.753
where: short stacking energy: -18.753
Base-Backbone interact. energy: -0.252
local terms energy: -62.741344
where:
bonds (distance) C4'-P energy: -18.670
bonds (distance) P-C4' energy: -19.733
flat angles C4'-P-C4' energy: -11.753
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -2.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -86.564537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.564537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.564537 (E_RNA)
where:
Base-Base interactions energy: -31.189
where: short stacking energy: -27.643
Base-Backbone interact. energy: -0.338
local terms energy: -55.037232
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: 1.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -258.898337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.898337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.898337 (E_RNA)
where:
Base-Base interactions energy: -166.485
where: short stacking energy: -75.126
Base-Backbone interact. energy: -0.024
local terms energy: -92.389578
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -18.929
flat angles C4'-P-C4' energy: -20.285
flat angles P-C4'-P energy: -14.075
tors. eta vs tors. theta energy: -22.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -253.528500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.528500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.528500 (E_RNA)
where:
Base-Base interactions energy: -167.040
where: short stacking energy: -75.915
Base-Backbone interact. energy: -0.666
local terms energy: -85.822441
where:
bonds (distance) C4'-P energy: -12.688
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -18.885
flat angles P-C4'-P energy: -12.648
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: 10
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -202.421108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.421108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.421108 (E_RNA)
where:
Base-Base interactions energy: -126.683
where: short stacking energy: -74.323
Base-Backbone interact. energy: 0.851
local terms energy: -76.588760
where:
bonds (distance) C4'-P energy: -10.299
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -17.951
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -19.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -204.075336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.075336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.075336 (E_RNA)
where:
Base-Base interactions energy: -125.867
where: short stacking energy: -50.428
Base-Backbone interact. energy: -0.777
local terms energy: -77.430921
where:
bonds (distance) C4'-P energy: -16.877
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -17.471
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -17.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -178.971676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.971676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.971676 (E_RNA)
where:
Base-Base interactions energy: -105.800
where: short stacking energy: -50.924
Base-Backbone interact. energy: -0.112
local terms energy: -73.060385
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -14.024
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -18.607
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: 3
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -112.932680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.932680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.932680 (E_RNA)
where:
Base-Base interactions energy: -47.832
where: short stacking energy: -26.637
Base-Backbone interact. energy: -0.368
local terms energy: -64.733081
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -10.920
flat angles P-C4'-P energy: -15.412
tors. eta vs tors. theta energy: -6.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -108.088405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.088405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.088405 (E_RNA)
where:
Base-Base interactions energy: -44.361
where: short stacking energy: -39.717
Base-Backbone interact. energy: -0.092
local terms energy: -63.635537
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -15.076
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -12.367
tors. eta vs tors. theta energy: -6.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -95.930362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.930362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.930362 (E_RNA)
where:
Base-Base interactions energy: -39.997
where: short stacking energy: -33.050
Base-Backbone interact. energy: -0.204
local terms energy: -55.729365
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -14.876
flat angles C4'-P-C4' energy: -9.478
flat angles P-C4'-P energy: -13.193
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: 9, replica: 8
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -98.875113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.875113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.875113 (E_RNA)
where:
Base-Base interactions energy: -39.030
where: short stacking energy: -35.211
Base-Backbone interact. energy: -0.747
local terms energy: -59.098064
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -5.014
flat angles P-C4'-P energy: -7.159
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: 10, replica: 4
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -81.701350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.701350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.701350 (E_RNA)
where:
Base-Base interactions energy: -37.918
where: short stacking energy: -25.633
Base-Backbone interact. energy: -0.060
local terms energy: -43.724093
where:
bonds (distance) C4'-P energy: -12.060
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -13.898
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: 5.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -260.037656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.037656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.037656 (E_RNA)
where:
Base-Base interactions energy: -167.529
where: short stacking energy: -82.483
Base-Backbone interact. energy: 0.115
local terms energy: -92.623249
where:
bonds (distance) C4'-P energy: -18.715
bonds (distance) P-C4' energy: -18.024
flat angles C4'-P-C4' energy: -19.219
flat angles P-C4'-P energy: -12.179
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: 9
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -250.144007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.144007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.144007 (E_RNA)
where:
Base-Base interactions energy: -155.423
where: short stacking energy: -74.406
Base-Backbone interact. energy: -0.002
local terms energy: -94.719024
where:
bonds (distance) C4'-P energy: -17.021
bonds (distance) P-C4' energy: -19.489
flat angles C4'-P-C4' energy: -18.535
flat angles P-C4'-P energy: -14.666
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: 3, replica: 10
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -197.451406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.451406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.451406 (E_RNA)
where:
Base-Base interactions energy: -115.098
where: short stacking energy: -52.390
Base-Backbone interact. energy: 1.309
local terms energy: -83.662735
where:
bonds (distance) C4'-P energy: -17.921
bonds (distance) P-C4' energy: -18.826
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -12.839
tors. eta vs tors. theta energy: -17.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -203.984291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.984291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.984291 (E_RNA)
where:
Base-Base interactions energy: -120.160
where: short stacking energy: -50.532
Base-Backbone interact. energy: -0.664
local terms energy: -83.160391
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -19.761
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -14.628
tors. eta vs tors. theta energy: -17.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -190.014312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.014312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.014312 (E_RNA)
where:
Base-Base interactions energy: -113.696
where: short stacking energy: -51.696
Base-Backbone interact. energy: -1.260
local terms energy: -75.057803
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -19.482
flat angles C4'-P-C4' energy: -19.832
flat angles P-C4'-P energy: -4.376
tors. eta vs tors. theta energy: -16.872
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: 2
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -98.125784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.125784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.125784 (E_RNA)
where:
Base-Base interactions energy: -47.497
where: short stacking energy: -20.966
Base-Backbone interact. energy: -0.898
local terms energy: -49.730413
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -10.536
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -0.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -102.879264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.879264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.879264 (E_RNA)
where:
Base-Base interactions energy: -40.118
where: short stacking energy: -26.411
Base-Backbone interact. energy: -0.516
local terms energy: -62.245713
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -16.471
flat angles P-C4'-P energy: -8.489
tors. eta vs tors. theta energy: -4.215
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: 7
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -98.166006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.166006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.166006 (E_RNA)
where:
Base-Base interactions energy: -36.619
where: short stacking energy: -32.790
Base-Backbone interact. energy: 0.048
local terms energy: -61.594145
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -16.872
flat angles C4'-P-C4' energy: -12.654
flat angles P-C4'-P energy: -15.051
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: 9, replica: 8
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -89.218812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.218812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.218812 (E_RNA)
where:
Base-Base interactions energy: -26.299
where: short stacking energy: -26.299
Base-Backbone interact. energy: -0.375
local terms energy: -62.545019
where:
bonds (distance) C4'-P energy: -18.409
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -18.651
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -0.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -80.348784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.348784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.348784 (E_RNA)
where:
Base-Base interactions energy: -28.065
where: short stacking energy: -26.530
Base-Backbone interact. energy: 2.671
local terms energy: -54.955314
where:
bonds (distance) C4'-P energy: -11.384
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -13.619
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -5.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -263.858886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.858886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.858886 (E_RNA)
where:
Base-Base interactions energy: -178.650
where: short stacking energy: -81.173
Base-Backbone interact. energy: 1.989
local terms energy: -87.197898
where:
bonds (distance) C4'-P energy: -17.805
bonds (distance) P-C4' energy: -18.316
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -23.886
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: 290
Temperature: 0.950000
Total energy: -255.929909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.929909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.929909 (E_RNA)
where:
Base-Base interactions energy: -173.730
where: short stacking energy: -74.315
Base-Backbone interact. energy: 0.914
local terms energy: -83.113758
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -13.294
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: 3, replica: 1
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -209.594111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.594111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.594111 (E_RNA)
where:
Base-Base interactions energy: -127.620
where: short stacking energy: -74.049
Base-Backbone interact. energy: 0.212
local terms energy: -82.185967
where:
bonds (distance) C4'-P energy: -9.487
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: -14.955
tors. eta vs tors. theta energy: -23.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -203.977071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.977071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.977071 (E_RNA)
where:
Base-Base interactions energy: -118.360
where: short stacking energy: -65.209
Base-Backbone interact. energy: 0.013
local terms energy: -85.630623
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -18.876
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -13.087
tors. eta vs tors. theta energy: -20.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -191.092293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.092293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.092293 (E_RNA)
where:
Base-Base interactions energy: -121.268
where: short stacking energy: -60.586
Base-Backbone interact. energy: -1.361
local terms energy: -68.463001
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -19.774
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -3.525
tors. eta vs tors. theta energy: -16.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -93.824039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.824039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.824039 (E_RNA)
where:
Base-Base interactions energy: -33.999
where: short stacking energy: -29.506
Base-Backbone interact. energy: 0.438
local terms energy: -60.262559
where:
bonds (distance) C4'-P energy: -14.296
bonds (distance) P-C4' energy: -18.791
flat angles C4'-P-C4' energy: -11.112
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -5.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -104.813363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.813363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.813363 (E_RNA)
where:
Base-Base interactions energy: -41.029
where: short stacking energy: -27.363
Base-Backbone interact. energy: -0.476
local terms energy: -63.308307
where:
bonds (distance) C4'-P energy: -17.250
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -4.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -98.249659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.249659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.249659 (E_RNA)
where:
Base-Base interactions energy: -42.260
where: short stacking energy: -24.849
Base-Backbone interact. energy: -0.339
local terms energy: -55.650752
where:
bonds (distance) C4'-P energy: -17.900
bonds (distance) P-C4' energy: -16.369
flat angles C4'-P-C4' energy: -11.990
flat angles P-C4'-P energy: -8.823
tors. eta vs tors. theta energy: -0.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -83.340833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.340833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.340833 (E_RNA)
where:
Base-Base interactions energy: -30.069
where: short stacking energy: -25.558
Base-Backbone interact. energy: 0.758
local terms energy: -54.029796
where:
bonds (distance) C4'-P energy: -16.930
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -3.763
tors. eta vs tors. theta energy: -4.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -77.802337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.802337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.802337 (E_RNA)
where:
Base-Base interactions energy: -32.853
where: short stacking energy: -23.934
Base-Backbone interact. energy: 1.203
local terms energy: -46.152746
where:
bonds (distance) C4'-P energy: -18.255
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -5.707
flat angles P-C4'-P energy: -4.409
tors. eta vs tors. theta energy: -1.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -254.277064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.277064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.277064 (E_RNA)
where:
Base-Base interactions energy: -171.046
where: short stacking energy: -77.183
Base-Backbone interact. energy: -0.030
local terms energy: -83.200975
where:
bonds (distance) C4'-P energy: -19.257
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -11.101
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: 2, replica: 6
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -256.906939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.906939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.906939 (E_RNA)
where:
Base-Base interactions energy: -170.237
where: short stacking energy: -80.915
Base-Backbone interact. energy: -0.030
local terms energy: -86.639887
where:
bonds (distance) C4'-P energy: -14.435
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -18.060
flat angles P-C4'-P energy: -11.240
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: 3, replica: 1
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -197.652797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.652797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.652797 (E_RNA)
where:
Base-Base interactions energy: -115.418
where: short stacking energy: -61.962
Base-Backbone interact. energy: -0.131
local terms energy: -82.104335
where:
bonds (distance) C4'-P energy: -17.911
bonds (distance) P-C4' energy: -17.466
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -20.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -204.484899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.484899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.484899 (E_RNA)
where:
Base-Base interactions energy: -124.864
where: short stacking energy: -70.238
Base-Backbone interact. energy: -0.079
local terms energy: -79.542136
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -18.342
flat angles P-C4'-P energy: -12.997
tors. eta vs tors. theta energy: -16.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -159.178693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.178693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.178693 (E_RNA)
where:
Base-Base interactions energy: -96.035
where: short stacking energy: -41.639
Base-Backbone interact. energy: -0.590
local terms energy: -62.554115
where:
bonds (distance) C4'-P energy: -11.479
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -13.670
tors. eta vs tors. theta energy: -5.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -104.244662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.244662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.244662 (E_RNA)
where:
Base-Base interactions energy: -51.238
where: short stacking energy: -31.934
Base-Backbone interact. energy: 0.583
local terms energy: -53.589199
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -17.628
flat angles C4'-P-C4' energy: -9.739
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -3.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -107.618404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.618404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.618404 (E_RNA)
where:
Base-Base interactions energy: -46.220
where: short stacking energy: -46.220
Base-Backbone interact. energy: -0.219
local terms energy: -61.179492
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -16.018
flat angles C4'-P-C4' energy: -20.144
flat angles P-C4'-P energy: -8.854
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: 8, replica: 4
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -98.075993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.075993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.075993 (E_RNA)
where:
Base-Base interactions energy: -34.366
where: short stacking energy: -31.288
Base-Backbone interact. energy: -0.150
local terms energy: -63.559739
where:
bonds (distance) C4'-P energy: -16.008
bonds (distance) P-C4' energy: -17.466
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -6.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -94.054566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.054566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.054566 (E_RNA)
where:
Base-Base interactions energy: -38.561
where: short stacking energy: -29.356
Base-Backbone interact. energy: -0.777
local terms energy: -54.716077
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -13.222
flat angles P-C4'-P energy: -6.395
tors. eta vs tors. theta energy: -9.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -86.528801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.528801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.528801 (E_RNA)
where:
Base-Base interactions energy: -29.299
where: short stacking energy: -20.957
Base-Backbone interact. energy: -0.241
local terms energy: -56.988459
where:
bonds (distance) C4'-P energy: -17.560
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -9.188
flat angles P-C4'-P energy: -13.938
tors. eta vs tors. theta energy: -3.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -260.425585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.425585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.425585 (E_RNA)
where:
Base-Base interactions energy: -169.256
where: short stacking energy: -84.747
Base-Backbone interact. energy: 0.132
local terms energy: -91.301839
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -17.152
flat angles C4'-P-C4' energy: -19.157
flat angles P-C4'-P energy: -14.187
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: 2, replica: 6
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -254.431027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.431027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.431027 (E_RNA)
where:
Base-Base interactions energy: -165.545
where: short stacking energy: -81.077
Base-Backbone interact. energy: -0.282
local terms energy: -88.604182
where:
bonds (distance) C4'-P energy: -18.132
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -20.499
flat angles P-C4'-P energy: -10.587
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: 3, replica: 1
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -210.282644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.282644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.282644 (E_RNA)
where:
Base-Base interactions energy: -123.150
where: short stacking energy: -68.662
Base-Backbone interact. energy: -0.023
local terms energy: -87.109922
where:
bonds (distance) C4'-P energy: -17.614
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -18.312
flat angles P-C4'-P energy: -10.952
tors. eta vs tors. theta energy: -24.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -197.279987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.279987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.279987 (E_RNA)
where:
Base-Base interactions energy: -121.071
where: short stacking energy: -54.321
Base-Backbone interact. energy: -0.073
local terms energy: -76.135883
where:
bonds (distance) C4'-P energy: -16.665
bonds (distance) P-C4' energy: -17.740
flat angles C4'-P-C4' energy: -18.464
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -12.925
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: 292
Temperature: 1.100000
Total energy: -157.101526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.101526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.101526 (E_RNA)
where:
Base-Base interactions energy: -87.198
where: short stacking energy: -47.212
Base-Backbone interact. energy: -0.041
local terms energy: -69.862277
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -16.440
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: -7.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -107.995820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.995820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.995820 (E_RNA)
where:
Base-Base interactions energy: -43.345
where: short stacking energy: -33.517
Base-Backbone interact. energy: -0.202
local terms energy: -64.448238
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -15.429
flat angles C4'-P-C4' energy: -17.757
flat angles P-C4'-P energy: -8.539
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: 7, replica: 4
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -105.245174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.245174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.245174 (E_RNA)
where:
Base-Base interactions energy: -47.942
where: short stacking energy: -47.287
Base-Backbone interact. energy: -0.120
local terms energy: -57.182714
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -19.496
flat angles C4'-P-C4' energy: -12.529
flat angles P-C4'-P energy: -3.744
tors. eta vs tors. theta energy: -9.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -94.878707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.878707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.878707 (E_RNA)
where:
Base-Base interactions energy: -35.656
where: short stacking energy: -32.471
Base-Backbone interact. energy: -0.696
local terms energy: -58.526892
where:
bonds (distance) C4'-P energy: -16.177
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -7.851
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: 9, replica: 8
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -85.879684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.879684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.879684 (E_RNA)
where:
Base-Base interactions energy: -27.343
where: short stacking energy: -27.343
Base-Backbone interact. energy: -0.072
local terms energy: -58.465124
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -11.731
flat angles P-C4'-P energy: -9.691
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: 10, replica: 7
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -99.078042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.078042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.078042 (E_RNA)
where:
Base-Base interactions energy: -25.782
where: short stacking energy: -24.856
Base-Backbone interact. energy: -1.357
local terms energy: -71.939134
where:
bonds (distance) C4'-P energy: -18.280
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -12.183
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: 1, replica: 9
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -267.292929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.292929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.292929 (E_RNA)
where:
Base-Base interactions energy: -176.486
where: short stacking energy: -83.541
Base-Backbone interact. energy: -0.006
local terms energy: -90.800792
where:
bonds (distance) C4'-P energy: -16.274
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -19.787
flat angles P-C4'-P energy: -13.734
tors. eta vs tors. theta energy: -23.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -265.526731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.526731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.526731 (E_RNA)
where:
Base-Base interactions energy: -168.165
where: short stacking energy: -83.430
Base-Backbone interact. energy: -0.013
local terms energy: -97.348889
where:
bonds (distance) C4'-P energy: -19.265
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -19.862
flat angles P-C4'-P energy: -13.248
tors. eta vs tors. theta energy: -27.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -213.599236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.599236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.599236 (E_RNA)
where:
Base-Base interactions energy: -122.010
where: short stacking energy: -73.169
Base-Backbone interact. energy: -0.042
local terms energy: -91.546692
where:
bonds (distance) C4'-P energy: -14.125
bonds (distance) P-C4' energy: -20.651
flat angles C4'-P-C4' energy: -19.470
flat angles P-C4'-P energy: -12.522
tors. eta vs tors. theta energy: -24.779
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: 10
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -209.876134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.876134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.876134 (E_RNA)
where:
Base-Base interactions energy: -128.657
where: short stacking energy: -68.615
Base-Backbone interact. energy: -0.098
local terms energy: -81.121045
where:
bonds (distance) C4'-P energy: -16.546
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -18.343
flat angles P-C4'-P energy: -12.834
tors. eta vs tors. theta energy: -14.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -170.486990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.486990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.486990 (E_RNA)
where:
Base-Base interactions energy: -105.498
where: short stacking energy: -50.702
Base-Backbone interact. energy: -0.205
local terms energy: -64.784530
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -16.197
flat angles C4'-P-C4' energy: -11.364
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -12.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -106.583827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.583827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.583827 (E_RNA)
where:
Base-Base interactions energy: -41.174
where: short stacking energy: -39.278
Base-Backbone interact. energy: -0.816
local terms energy: -64.593577
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -17.823
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -5.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -92.043733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.043733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.043733 (E_RNA)
where:
Base-Base interactions energy: -30.351
where: short stacking energy: -30.351
Base-Backbone interact. energy: 0.515
local terms energy: -62.208078
where:
bonds (distance) C4'-P energy: -18.214
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -3.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -88.842529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.842529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.842529 (E_RNA)
where:
Base-Base interactions energy: -36.956
where: short stacking energy: -33.953
Base-Backbone interact. energy: -2.215
local terms energy: -49.671894
where:
bonds (distance) C4'-P energy: -11.337
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -8.596
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -4.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -89.924974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.924974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.924974 (E_RNA)
where:
Base-Base interactions energy: -36.016
where: short stacking energy: -23.957
Base-Backbone interact. energy: 0.130
local terms energy: -54.038999
where:
bonds (distance) C4'-P energy: -14.469
bonds (distance) P-C4' energy: -12.678
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -14.313
tors. eta vs tors. theta energy: 0.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -81.864663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.864663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.864663 (E_RNA)
where:
Base-Base interactions energy: -30.535
where: short stacking energy: -27.767
Base-Backbone interact. energy: -1.781
local terms energy: -49.548997
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -9.889
flat angles P-C4'-P energy: -3.076
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: 1, replica: 9
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -259.884146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.884146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.884146 (E_RNA)
where:
Base-Base interactions energy: -170.208
where: short stacking energy: -84.375
Base-Backbone interact. energy: -0.107
local terms energy: -89.569327
where:
bonds (distance) C4'-P energy: -18.719
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -15.883
flat angles P-C4'-P energy: -13.111
tors. eta vs tors. theta energy: -26.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -240.907209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.907209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.907209 (E_RNA)
where:
Base-Base interactions energy: -152.565
where: short stacking energy: -70.543
Base-Backbone interact. energy: -0.027
local terms energy: -88.314756
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -18.567
flat angles C4'-P-C4' energy: -17.421
flat angles P-C4'-P energy: -12.958
tors. eta vs tors. theta energy: -23.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -209.638633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.638633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.638633 (E_RNA)
where:
Base-Base interactions energy: -120.106
where: short stacking energy: -62.215
Base-Backbone interact. energy: -1.339
local terms energy: -88.193701
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -18.076
flat angles C4'-P-C4' energy: -19.437
flat angles P-C4'-P energy: -14.952
tors. eta vs tors. theta energy: -17.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -196.019449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.019449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.019449 (E_RNA)
where:
Base-Base interactions energy: -113.467
where: short stacking energy: -56.233
Base-Backbone interact. energy: -0.051
local terms energy: -82.501310
where:
bonds (distance) C4'-P energy: -17.646
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -17.826
flat angles P-C4'-P energy: -8.644
tors. eta vs tors. theta energy: -19.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -161.811614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.811614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.811614 (E_RNA)
where:
Base-Base interactions energy: -82.062
where: short stacking energy: -63.372
Base-Backbone interact. energy: -0.001
local terms energy: -79.749052
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -12.013
tors. eta vs tors. theta energy: -20.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -104.301498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.301498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.301498 (E_RNA)
where:
Base-Base interactions energy: -44.396
where: short stacking energy: -28.255
Base-Backbone interact. energy: -0.128
local terms energy: -59.777894
where:
bonds (distance) C4'-P energy: -15.457
bonds (distance) P-C4' energy: -10.564
flat angles C4'-P-C4' energy: -13.274
flat angles P-C4'-P energy: -15.276
tors. eta vs tors. theta energy: -5.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -87.704661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.704661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.704661 (E_RNA)
where:
Base-Base interactions energy: -30.593
where: short stacking energy: -29.429
Base-Backbone interact. energy: -0.108
local terms energy: -57.003554
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -15.848
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -5.278
tors. eta vs tors. theta energy: -2.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -82.996743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.996743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.996743 (E_RNA)
where:
Base-Base interactions energy: -38.121
where: short stacking energy: -27.384
Base-Backbone interact. energy: -0.362
local terms energy: -44.513745
where:
bonds (distance) C4'-P energy: -6.683
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -11.974
flat angles P-C4'-P energy: -12.697
tors. eta vs tors. theta energy: 1.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -77.646157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.646157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.646157 (E_RNA)
where:
Base-Base interactions energy: -31.072
where: short stacking energy: -25.326
Base-Backbone interact. energy: -0.355
local terms energy: -46.218791
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -9.540
flat angles P-C4'-P energy: -5.352
tors. eta vs tors. theta energy: -0.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -78.267527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.267527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.267527 (E_RNA)
where:
Base-Base interactions energy: -32.632
where: short stacking energy: -23.057
Base-Backbone interact. energy: 1.556
local terms energy: -47.191289
where:
bonds (distance) C4'-P energy: -9.884
bonds (distance) P-C4' energy: -11.925
flat angles C4'-P-C4' energy: -11.303
flat angles P-C4'-P energy: -13.758
tors. eta vs tors. theta energy: -0.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -261.884486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.884486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.884486 (E_RNA)
where:
Base-Base interactions energy: -172.588
where: short stacking energy: -84.128
Base-Backbone interact. energy: -0.007
local terms energy: -89.289323
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -18.014
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: -26.917
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: 6
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -257.181025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.181025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.181025 (E_RNA)
where:
Base-Base interactions energy: -166.751
where: short stacking energy: -86.843
Base-Backbone interact. energy: -0.010
local terms energy: -90.419973
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -13.974
flat angles C4'-P-C4' energy: -19.908
flat angles P-C4'-P energy: -13.350
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: 10
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -206.718050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.718050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.718050 (E_RNA)
where:
Base-Base interactions energy: -125.660
where: short stacking energy: -65.653
Base-Backbone interact. energy: -0.055
local terms energy: -81.003622
where:
bonds (distance) C4'-P energy: -18.181
bonds (distance) P-C4' energy: -16.362
flat angles C4'-P-C4' energy: -17.454
flat angles P-C4'-P energy: -11.897
tors. eta vs tors. theta energy: -17.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -202.743361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.743361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.743361 (E_RNA)
where:
Base-Base interactions energy: -125.553
where: short stacking energy: -67.174
Base-Backbone interact. energy: -0.182
local terms energy: -77.008441
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -20.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -145.880866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.880866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.880866 (E_RNA)
where:
Base-Base interactions energy: -72.763
where: short stacking energy: -38.048
Base-Backbone interact. energy: -0.169
local terms energy: -72.948910
where:
bonds (distance) C4'-P energy: -17.374
bonds (distance) P-C4' energy: -17.823
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -10.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -90.355044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.355044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.355044 (E_RNA)
where:
Base-Base interactions energy: -26.910
where: short stacking energy: -26.934
Base-Backbone interact. energy: -0.835
local terms energy: -62.610213
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -18.442
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -13.030
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: 7, replica: 4
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -103.315503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.315503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.315503 (E_RNA)
where:
Base-Base interactions energy: -45.137
where: short stacking energy: -30.083
Base-Backbone interact. energy: -0.822
local terms energy: -57.356308
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -14.083
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -3.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -92.490523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.490523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.490523 (E_RNA)
where:
Base-Base interactions energy: -34.804
where: short stacking energy: -34.804
Base-Backbone interact. energy: 1.611
local terms energy: -59.297454
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -15.146
flat angles C4'-P-C4' energy: -9.804
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -10.381
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: 9, replica: 3
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -84.672439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.672439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.672439 (E_RNA)
where:
Base-Base interactions energy: -31.451
where: short stacking energy: -29.229
Base-Backbone interact. energy: -0.168
local terms energy: -53.053136
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -11.363
flat angles C4'-P-C4' energy: -9.291
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -7.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -81.982360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.982360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.982360 (E_RNA)
where:
Base-Base interactions energy: -31.350
where: short stacking energy: -31.350
Base-Backbone interact. energy: -0.108
local terms energy: -50.524938
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -7.283
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: 1, replica: 6
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -246.315285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.315285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.315285 (E_RNA)
where:
Base-Base interactions energy: -161.312
where: short stacking energy: -76.103
Base-Backbone interact. energy: -0.718
local terms energy: -84.285046
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -17.219
flat angles C4'-P-C4' energy: -16.707
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -23.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -258.785764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.785764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.785764 (E_RNA)
where:
Base-Base interactions energy: -163.934
where: short stacking energy: -83.614
Base-Backbone interact. energy: -0.017
local terms energy: -94.834822
where:
bonds (distance) C4'-P energy: -17.850
bonds (distance) P-C4' energy: -18.508
flat angles C4'-P-C4' energy: -18.856
flat angles P-C4'-P energy: -12.333
tors. eta vs tors. theta energy: -27.287
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: 10
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -208.769395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.769395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.769395 (E_RNA)
where:
Base-Base interactions energy: -123.339
where: short stacking energy: -62.008
Base-Backbone interact. energy: -0.012
local terms energy: -85.417784
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -18.561
flat angles C4'-P-C4' energy: -19.743
flat angles P-C4'-P energy: -14.478
tors. eta vs tors. theta energy: -19.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -200.664482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.664482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.664482 (E_RNA)
where:
Base-Base interactions energy: -116.341
where: short stacking energy: -57.367
Base-Backbone interact. energy: -0.717
local terms energy: -83.605926
where:
bonds (distance) C4'-P energy: -19.298
bonds (distance) P-C4' energy: -19.196
flat angles C4'-P-C4' energy: -19.728
flat angles P-C4'-P energy: -11.112
tors. eta vs tors. theta energy: -14.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -164.934319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.934319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.934319 (E_RNA)
where:
Base-Base interactions energy: -104.701
where: short stacking energy: -47.472
Base-Backbone interact. energy: 0.238
local terms energy: -60.471375
where:
bonds (distance) C4'-P energy: -11.926
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -8.780
tors. eta vs tors. theta energy: -12.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -98.291390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.291390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.291390 (E_RNA)
where:
Base-Base interactions energy: -33.043
where: short stacking energy: -24.648
Base-Backbone interact. energy: -0.043
local terms energy: -65.205064
where:
bonds (distance) C4'-P energy: -17.366
bonds (distance) P-C4' energy: -19.048
flat angles C4'-P-C4' energy: -16.254
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: -1.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -100.138850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.138850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.138850 (E_RNA)
where:
Base-Base interactions energy: -45.229
where: short stacking energy: -40.234
Base-Backbone interact. energy: 0.150
local terms energy: -55.060107
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -13.568
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: -7.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -107.875258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.875258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.875258 (E_RNA)
where:
Base-Base interactions energy: -54.951
where: short stacking energy: -33.690
Base-Backbone interact. energy: -0.440
local terms energy: -52.484301
where:
bonds (distance) C4'-P energy: -10.329
bonds (distance) P-C4' energy: -15.872
flat angles C4'-P-C4' energy: -11.110
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -4.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -94.959896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.959896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.959896 (E_RNA)
where:
Base-Base interactions energy: -33.373
where: short stacking energy: -29.163
Base-Backbone interact. energy: -0.086
local terms energy: -61.500994
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -18.409
flat angles P-C4'-P energy: -6.940
tors. eta vs tors. theta energy: -3.900
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: 3
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -80.912520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.912520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.912520 (E_RNA)
where:
Base-Base interactions energy: -28.201
where: short stacking energy: -28.154
Base-Backbone interact. energy: 1.051
local terms energy: -53.762687
where:
bonds (distance) C4'-P energy: -17.100
bonds (distance) P-C4' energy: -19.530
flat angles C4'-P-C4' energy: -4.441
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -4.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -257.399743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.399743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.399743 (E_RNA)
where:
Base-Base interactions energy: -168.869
where: short stacking energy: -77.411
Base-Backbone interact. energy: -0.082
local terms energy: -88.448585
where:
bonds (distance) C4'-P energy: -19.460
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -17.958
flat angles P-C4'-P energy: -12.720
tors. eta vs tors. theta energy: -21.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -259.032180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.032180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.032180 (E_RNA)
where:
Base-Base interactions energy: -164.100
where: short stacking energy: -76.349
Base-Backbone interact. energy: -0.004
local terms energy: -94.928203
where:
bonds (distance) C4'-P energy: -17.162
bonds (distance) P-C4' energy: -20.433
flat angles C4'-P-C4' energy: -19.782
flat angles P-C4'-P energy: -12.834
tors. eta vs tors. theta energy: -24.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -188.714028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.714028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.714028 (E_RNA)
where:
Base-Base interactions energy: -117.844
where: short stacking energy: -55.442
Base-Backbone interact. energy: -0.483
local terms energy: -70.386760
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -11.323
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -17.127
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: 5
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -193.830951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.830951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.830951 (E_RNA)
where:
Base-Base interactions energy: -120.879
where: short stacking energy: -62.132
Base-Backbone interact. energy: -0.359
local terms energy: -72.592860
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -7.623
tors. eta vs tors. theta energy: -17.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -198.300042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.300042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.300042 (E_RNA)
where:
Base-Base interactions energy: -122.421
where: short stacking energy: -56.284
Base-Backbone interact. energy: -0.104
local terms energy: -75.774843
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -18.996
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -15.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -114.764545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.764545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.764545 (E_RNA)
where:
Base-Base interactions energy: -41.971
where: short stacking energy: -41.971
Base-Backbone interact. energy: -0.129
local terms energy: -72.665006
where:
bonds (distance) C4'-P energy: -18.892
bonds (distance) P-C4' energy: -17.258
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -11.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -110.905387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.905387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.905387 (E_RNA)
where:
Base-Base interactions energy: -41.163
where: short stacking energy: -38.648
Base-Backbone interact. energy: -0.060
local terms energy: -69.682512
where:
bonds (distance) C4'-P energy: -18.206
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -14.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -89.027875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.027875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.027875 (E_RNA)
where:
Base-Base interactions energy: -28.183
where: short stacking energy: -28.072
Base-Backbone interact. energy: -0.233
local terms energy: -60.612352
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -18.512
flat angles P-C4'-P energy: -5.926
tors. eta vs tors. theta energy: -4.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -86.121239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.121239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.121239 (E_RNA)
where:
Base-Base interactions energy: -30.537
where: short stacking energy: -18.024
Base-Backbone interact. energy: 0.733
local terms energy: -56.317490
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: 1.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -86.449483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.449483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.449483 (E_RNA)
where:
Base-Base interactions energy: -26.336
where: short stacking energy: -21.138
Base-Backbone interact. energy: -0.268
local terms energy: -59.845813
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -7.947
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -8.267
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: 9
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -264.697702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.697702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.697702 (E_RNA)
where:
Base-Base interactions energy: -167.703
where: short stacking energy: -82.516
Base-Backbone interact. energy: -0.009
local terms energy: -96.986187
where:
bonds (distance) C4'-P energy: -19.271
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -19.733
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -28.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -250.886801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.886801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.886801 (E_RNA)
where:
Base-Base interactions energy: -166.964
where: short stacking energy: -74.375
Base-Backbone interact. energy: -0.103
local terms energy: -83.820550
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -19.153
flat angles C4'-P-C4' energy: -19.156
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -22.790
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: 5
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -201.685375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.685375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.685375 (E_RNA)
where:
Base-Base interactions energy: -124.594
where: short stacking energy: -63.330
Base-Backbone interact. energy: -0.182
local terms energy: -76.909745
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -18.591
flat angles C4'-P-C4' energy: -18.181
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -18.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -172.465840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.465840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.465840 (E_RNA)
where:
Base-Base interactions energy: -105.665
where: short stacking energy: -45.674
Base-Backbone interact. energy: 0.263
local terms energy: -67.063463
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -12.583
tors. eta vs tors. theta energy: -10.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -162.170157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.170157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.170157 (E_RNA)
where:
Base-Base interactions energy: -83.966
where: short stacking energy: -51.541
Base-Backbone interact. energy: -1.452
local terms energy: -76.751669
where:
bonds (distance) C4'-P energy: -14.469
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -18.059
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -17.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -123.550236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.550236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.550236 (E_RNA)
where:
Base-Base interactions energy: -63.966
where: short stacking energy: -39.504
Base-Backbone interact. energy: 0.402
local terms energy: -59.986002
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -10.570
flat angles P-C4'-P energy: -11.028
tors. eta vs tors. theta energy: -6.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -101.235632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.235632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.235632 (E_RNA)
where:
Base-Base interactions energy: -41.556
where: short stacking energy: -41.556
Base-Backbone interact. energy: -0.096
local terms energy: -59.583086
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -12.641
flat angles P-C4'-P energy: -7.021
tors. eta vs tors. theta energy: -10.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -93.332847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.332847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.332847 (E_RNA)
where:
Base-Base interactions energy: -46.396
where: short stacking energy: -40.714
Base-Backbone interact. energy: -0.042
local terms energy: -46.895234
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -5.685
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -3.611
tors. eta vs tors. theta energy: -7.050
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: 9, replica: 4
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -83.116388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.116388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.116388 (E_RNA)
where:
Base-Base interactions energy: -35.533
where: short stacking energy: -14.799
Base-Backbone interact. energy: -1.725
local terms energy: -45.859018
where:
bonds (distance) C4'-P energy: -10.204
bonds (distance) P-C4' energy: -13.844
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -8.493
tors. eta vs tors. theta energy: -0.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -79.815959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.815959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.815959 (E_RNA)
where:
Base-Base interactions energy: -25.553
where: short stacking energy: -19.429
Base-Backbone interact. energy: -0.200
local terms energy: -54.063407
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -18.410
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -0.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -260.912765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.912765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.912765 (E_RNA)
where:
Base-Base interactions energy: -167.268
where: short stacking energy: -84.888
Base-Backbone interact. energy: -0.006
local terms energy: -93.638591
where:
bonds (distance) C4'-P energy: -16.476
bonds (distance) P-C4' energy: -18.319
flat angles C4'-P-C4' energy: -20.214
flat angles P-C4'-P energy: -13.779
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: 6
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -252.343017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.343017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.343017 (E_RNA)
where:
Base-Base interactions energy: -163.083
where: short stacking energy: -81.148
Base-Backbone interact. energy: -0.389
local terms energy: -88.871257
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -19.936
flat angles C4'-P-C4' energy: -19.263
flat angles P-C4'-P energy: -9.980
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: 5
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -200.435754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.435754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.435754 (E_RNA)
where:
Base-Base interactions energy: -121.551
where: short stacking energy: -55.028
Base-Backbone interact. energy: -0.108
local terms energy: -78.777503
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -16.993
flat angles C4'-P-C4' energy: -18.907
flat angles P-C4'-P energy: -13.158
tors. eta vs tors. theta energy: -15.906
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: 10
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -157.856558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.856558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.856558 (E_RNA)
where:
Base-Base interactions energy: -87.756
where: short stacking energy: -63.806
Base-Backbone interact. energy: -0.049
local terms energy: -70.051612
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -17.653
flat angles P-C4'-P energy: -6.160
tors. eta vs tors. theta energy: -14.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -152.200527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.200527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.200527 (E_RNA)
where:
Base-Base interactions energy: -88.482
where: short stacking energy: -44.693
Base-Backbone interact. energy: -0.200
local terms energy: -63.518523
where:
bonds (distance) C4'-P energy: -16.070
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -17.433
flat angles P-C4'-P energy: -7.462
tors. eta vs tors. theta energy: -8.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -105.047323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.047323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.047323 (E_RNA)
where:
Base-Base interactions energy: -53.586
where: short stacking energy: -31.628
Base-Backbone interact. energy: -0.293
local terms energy: -51.167658
where:
bonds (distance) C4'-P energy: -10.492
bonds (distance) P-C4' energy: -15.249
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -3.361
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: 2
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -103.690296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.690296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.690296 (E_RNA)
where:
Base-Base interactions energy: -38.522
where: short stacking energy: -38.522
Base-Backbone interact. energy: -0.005
local terms energy: -65.163603
where:
bonds (distance) C4'-P energy: -16.555
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -12.018
flat angles P-C4'-P energy: -8.267
tors. eta vs tors. theta energy: -14.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -89.048847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.048847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.048847 (E_RNA)
where:
Base-Base interactions energy: -33.347
where: short stacking energy: -33.347
Base-Backbone interact. energy: -0.190
local terms energy: -55.511837
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -12.238
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: 9, replica: 7
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -85.880880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.880880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.880880 (E_RNA)
where:
Base-Base interactions energy: -34.822
where: short stacking energy: -31.971
Base-Backbone interact. energy: -0.447
local terms energy: -50.612036
where:
bonds (distance) C4'-P energy: -15.528
bonds (distance) P-C4' energy: -9.520
flat angles C4'-P-C4' energy: -11.548
flat angles P-C4'-P energy: -5.977
tors. eta vs tors. theta energy: -8.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -82.574225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.574225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.574225 (E_RNA)
where:
Base-Base interactions energy: -33.071
where: short stacking energy: -22.966
Base-Backbone interact. energy: -0.412
local terms energy: -49.091469
where:
bonds (distance) C4'-P energy: -12.609
bonds (distance) P-C4' energy: -17.375
flat angles C4'-P-C4' energy: -8.922
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -0.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -261.974166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.974166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.974166 (E_RNA)
where:
Base-Base interactions energy: -165.821
where: short stacking energy: -77.675
Base-Backbone interact. energy: -0.306
local terms energy: -95.847710
where:
bonds (distance) C4'-P energy: -19.196
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -18.022
flat angles P-C4'-P energy: -13.423
tors. eta vs tors. theta energy: -28.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -253.921906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.921906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.921906 (E_RNA)
where:
Base-Base interactions energy: -169.319
where: short stacking energy: -84.696
Base-Backbone interact. energy: -0.006
local terms energy: -84.596447
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -19.227
flat angles P-C4'-P energy: -11.559
tors. eta vs tors. theta energy: -24.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -206.764275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.764275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.764275 (E_RNA)
where:
Base-Base interactions energy: -125.735
where: short stacking energy: -64.468
Base-Backbone interact. energy: -0.141
local terms energy: -80.887412
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -17.827
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -20.408
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: 300
Temperature: 1.050000
Total energy: -189.393626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.393626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.393626 (E_RNA)
where:
Base-Base interactions energy: -118.430
where: short stacking energy: -58.712
Base-Backbone interact. energy: -0.291
local terms energy: -70.672680
where:
bonds (distance) C4'-P energy: -16.340
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -13.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -185.115566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.115566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.115566 (E_RNA)
where:
Base-Base interactions energy: -109.375
where: short stacking energy: -49.915
Base-Backbone interact. energy: -0.356
local terms energy: -75.384155
where:
bonds (distance) C4'-P energy: -18.612
bonds (distance) P-C4' energy: -12.729
flat angles C4'-P-C4' energy: -19.867
flat angles P-C4'-P energy: -12.744
tors. eta vs tors. theta energy: -11.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -105.580272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.580272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.580272 (E_RNA)
where:
Base-Base interactions energy: -41.064
where: short stacking energy: -32.338
Base-Backbone interact. energy: -0.437
local terms energy: -64.079993
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -19.269
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -4.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -99.888356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.888356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.888356 (E_RNA)
where:
Base-Base interactions energy: -35.878
where: short stacking energy: -34.292
Base-Backbone interact. energy: -0.118
local terms energy: -63.891810
where:
bonds (distance) C4'-P energy: -16.954
bonds (distance) P-C4' energy: -16.049
flat angles C4'-P-C4' energy: -12.609
flat angles P-C4'-P energy: -13.357
tors. eta vs tors. theta energy: -4.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -94.390444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.390444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.390444 (E_RNA)
where:
Base-Base interactions energy: -39.479
where: short stacking energy: -24.299
Base-Backbone interact. energy: -0.258
local terms energy: -54.652840
where:
bonds (distance) C4'-P energy: -15.350
bonds (distance) P-C4' energy: -19.349
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -7.464
tors. eta vs tors. theta energy: 4.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -90.527582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.527582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.527582 (E_RNA)
where:
Base-Base interactions energy: -40.686
where: short stacking energy: -34.826
Base-Backbone interact. energy: -0.021
local terms energy: -49.821457
where:
bonds (distance) C4'-P energy: -15.090
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -4.514
tors. eta vs tors. theta energy: 0.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -90.484208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.484208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.484208 (E_RNA)
where:
Base-Base interactions energy: -31.779
where: short stacking energy: -31.775
Base-Backbone interact. energy: 0.849
local terms energy: -59.554565
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -16.872
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -4.251
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: 9
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -257.921764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.921764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.921764 (E_RNA)
where:
Base-Base interactions energy: -167.752
where: short stacking energy: -79.163
Base-Backbone interact. energy: -0.221
local terms energy: -89.948905
where:
bonds (distance) C4'-P energy: -18.135
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -14.206
tors. eta vs tors. theta energy: -25.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -256.842094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.842094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.842094 (E_RNA)
where:
Base-Base interactions energy: -169.150
where: short stacking energy: -78.251
Base-Backbone interact. energy: 0.731
local terms energy: -88.423181
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -19.227
flat angles P-C4'-P energy: -14.742
tors. eta vs tors. theta energy: -23.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -197.635108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.635108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.635108 (E_RNA)
where:
Base-Base interactions energy: -120.841
where: short stacking energy: -62.398
Base-Backbone interact. energy: -0.030
local terms energy: -76.764722
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -18.190
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: -18.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -202.139367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.139367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.139367 (E_RNA)
where:
Base-Base interactions energy: -124.918
where: short stacking energy: -64.104
Base-Backbone interact. energy: -0.707
local terms energy: -76.514492
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: -20.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -181.294512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.294512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.294512 (E_RNA)
where:
Base-Base interactions energy: -116.059
where: short stacking energy: -50.108
Base-Backbone interact. energy: -0.069
local terms energy: -65.166855
where:
bonds (distance) C4'-P energy: -12.684
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -12.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -109.381277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.381277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.381277 (E_RNA)
where:
Base-Base interactions energy: -53.219
where: short stacking energy: -33.964
Base-Backbone interact. energy: -0.180
local terms energy: -55.982108
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -16.595
flat angles C4'-P-C4' energy: -9.369
flat angles P-C4'-P energy: -11.717
tors. eta vs tors. theta energy: -4.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -90.472283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.472283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.472283 (E_RNA)
where:
Base-Base interactions energy: -33.995
where: short stacking energy: -24.992
Base-Backbone interact. energy: -0.334
local terms energy: -56.143603
where:
bonds (distance) C4'-P energy: -18.979
bonds (distance) P-C4' energy: -20.905
flat angles C4'-P-C4' energy: -11.661
flat angles P-C4'-P energy: -4.767
tors. eta vs tors. theta energy: 0.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -95.440094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.440094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.440094 (E_RNA)
where:
Base-Base interactions energy: -36.119
where: short stacking energy: -18.459
Base-Backbone interact. energy: -0.178
local terms energy: -59.142522
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -16.158
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -13.775
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: 9, replica: 2
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -89.590193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.590193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.590193 (E_RNA)
where:
Base-Base interactions energy: -32.582
where: short stacking energy: -30.453
Base-Backbone interact. energy: 1.022
local terms energy: -58.029941
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -10.980
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -3.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -77.921656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.921656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.921656 (E_RNA)
where:
Base-Base interactions energy: -31.596
where: short stacking energy: -25.677
Base-Backbone interact. energy: -0.768
local terms energy: -45.557612
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -14.258
flat angles C4'-P-C4' energy: -10.158
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: 0.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -263.849812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.849812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.849812 (E_RNA)
where:
Base-Base interactions energy: -171.339
where: short stacking energy: -86.631
Base-Backbone interact. energy: -0.002
local terms energy: -92.509692
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -17.811
flat angles C4'-P-C4' energy: -20.625
flat angles P-C4'-P energy: -12.273
tors. eta vs tors. theta energy: -26.754
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: 9
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -260.062935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.062935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.062935 (E_RNA)
where:
Base-Base interactions energy: -173.531
where: short stacking energy: -78.419
Base-Backbone interact. energy: -0.015
local terms energy: -86.516819
where:
bonds (distance) C4'-P energy: -17.337
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -20.267
flat angles P-C4'-P energy: -12.933
tors. eta vs tors. theta energy: -21.640
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: 1
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -207.065977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.065977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.065977 (E_RNA)
where:
Base-Base interactions energy: -131.774
where: short stacking energy: -62.476
Base-Backbone interact. energy: -0.090
local terms energy: -75.201347
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -16.182
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -19.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -198.798555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.798555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.798555 (E_RNA)
where:
Base-Base interactions energy: -119.705
where: short stacking energy: -62.024
Base-Backbone interact. energy: -0.032
local terms energy: -79.061234
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -20.369
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -18.833
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: 10
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -181.654785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.654785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.654785 (E_RNA)
where:
Base-Base interactions energy: -105.181
where: short stacking energy: -54.345
Base-Backbone interact. energy: 1.374
local terms energy: -77.847790
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -16.002
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -13.806
tors. eta vs tors. theta energy: -15.327
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: 4
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -104.929512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.929512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.929512 (E_RNA)
where:
Base-Base interactions energy: -36.679
where: short stacking energy: -23.371
Base-Backbone interact. energy: -1.812
local terms energy: -66.438685
where:
bonds (distance) C4'-P energy: -18.909
bonds (distance) P-C4' energy: -17.304
flat angles C4'-P-C4' energy: -12.932
flat angles P-C4'-P energy: -12.681
tors. eta vs tors. theta energy: -4.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -84.912110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.912110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.912110 (E_RNA)
where:
Base-Base interactions energy: -38.189
where: short stacking energy: -30.086
Base-Backbone interact. energy: 1.438
local terms energy: -48.160897
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -3.941
tors. eta vs tors. theta energy: 3.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -92.009061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.009061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.009061 (E_RNA)
where:
Base-Base interactions energy: -33.365
where: short stacking energy: -30.096
Base-Backbone interact. energy: 0.315
local terms energy: -58.959462
where:
bonds (distance) C4'-P energy: -17.151
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -12.563
tors. eta vs tors. theta energy: 0.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -88.846306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.846306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.846306 (E_RNA)
where:
Base-Base interactions energy: -38.646
where: short stacking energy: -27.155
Base-Backbone interact. energy: -1.484
local terms energy: -48.716727
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -16.817
flat angles C4'-P-C4' energy: -15.987
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: 4.082
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: 2
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -83.318543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.318543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.318543 (E_RNA)
where:
Base-Base interactions energy: -32.419
where: short stacking energy: -20.558
Base-Backbone interact. energy: -0.350
local terms energy: -50.550127
where:
bonds (distance) C4'-P energy: -9.838
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -7.409
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: 1, replica: 6
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -264.867128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.867128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.867128 (E_RNA)
where:
Base-Base interactions energy: -168.336
where: short stacking energy: -82.528
Base-Backbone interact. energy: -0.591
local terms energy: -95.939598
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -19.657
flat angles C4'-P-C4' energy: -19.254
flat angles P-C4'-P energy: -15.617
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: 2, replica: 9
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -258.533994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.533994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.533994 (E_RNA)
where:
Base-Base interactions energy: -174.233
where: short stacking energy: -80.485
Base-Backbone interact. energy: -0.787
local terms energy: -83.514026
where:
bonds (distance) C4'-P energy: -16.897
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -17.663
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -20.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -202.100695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.100695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.100695 (E_RNA)
where:
Base-Base interactions energy: -117.619
where: short stacking energy: -61.415
Base-Backbone interact. energy: -0.324
local terms energy: -84.158176
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -19.417
flat angles C4'-P-C4' energy: -17.631
flat angles P-C4'-P energy: -14.152
tors. eta vs tors. theta energy: -16.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -192.072107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.072107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.072107 (E_RNA)
where:
Base-Base interactions energy: -116.692
where: short stacking energy: -53.169
Base-Backbone interact. energy: 0.466
local terms energy: -75.846086
where:
bonds (distance) C4'-P energy: -14.627
bonds (distance) P-C4' energy: -18.978
flat angles C4'-P-C4' energy: -17.259
flat angles P-C4'-P energy: -14.444
tors. eta vs tors. theta energy: -10.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -175.461867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.461867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.461867 (E_RNA)
where:
Base-Base interactions energy: -95.801
where: short stacking energy: -52.464
Base-Backbone interact. energy: -0.126
local terms energy: -79.534569
where:
bonds (distance) C4'-P energy: -17.247
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -10.844
tors. eta vs tors. theta energy: -15.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -116.741379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.741379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.741379 (E_RNA)
where:
Base-Base interactions energy: -58.904
where: short stacking energy: -35.899
Base-Backbone interact. energy: -1.431
local terms energy: -56.406041
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -13.383
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -7.475
tors. eta vs tors. theta energy: -5.946
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: 4
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -95.007027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.007027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.007027 (E_RNA)
where:
Base-Base interactions energy: -35.060
where: short stacking energy: -35.060
Base-Backbone interact. energy: -0.057
local terms energy: -59.889943
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -15.433
flat angles C4'-P-C4' energy: -18.732
flat angles P-C4'-P energy: -7.776
tors. eta vs tors. theta energy: -2.185
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: 7
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -80.332666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.332666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.332666 (E_RNA)
where:
Base-Base interactions energy: -34.479
where: short stacking energy: -23.313
Base-Backbone interact. energy: 1.417
local terms energy: -47.270892
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: 1.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -84.544077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.544077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.544077 (E_RNA)
where:
Base-Base interactions energy: -30.319
where: short stacking energy: -24.724
Base-Backbone interact. energy: -0.273
local terms energy: -53.951677
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -19.846
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: 0.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -88.113973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.113973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.113973 (E_RNA)
where:
Base-Base interactions energy: -32.461
where: short stacking energy: -26.290
Base-Backbone interact. energy: -0.048
local terms energy: -55.604515
where:
bonds (distance) C4'-P energy: -16.601
bonds (distance) P-C4' energy: -17.515
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -6.662
tors. eta vs tors. theta energy: -0.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -262.087216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.087216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.087216 (E_RNA)
where:
Base-Base interactions energy: -174.563
where: short stacking energy: -75.143
Base-Backbone interact. energy: -0.022
local terms energy: -87.502400
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -13.193
flat angles C4'-P-C4' energy: -16.793
flat angles P-C4'-P energy: -15.869
tors. eta vs tors. theta energy: -24.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -267.822198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.822198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.822198 (E_RNA)
where:
Base-Base interactions energy: -176.501
where: short stacking energy: -85.227
Base-Backbone interact. energy: -0.814
local terms energy: -90.507853
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -19.394
flat angles C4'-P-C4' energy: -17.576
flat angles P-C4'-P energy: -14.237
tors. eta vs tors. theta energy: -25.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -206.653197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.653197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.653197 (E_RNA)
where:
Base-Base interactions energy: -125.836
where: short stacking energy: -69.147
Base-Backbone interact. energy: 0.808
local terms energy: -81.625655
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -18.252
flat angles P-C4'-P energy: -13.694
tors. eta vs tors. theta energy: -19.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -208.263241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.263241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.263241 (E_RNA)
where:
Base-Base interactions energy: -124.198
where: short stacking energy: -61.832
Base-Backbone interact. energy: -0.095
local terms energy: -83.970231
where:
bonds (distance) C4'-P energy: -18.465
bonds (distance) P-C4' energy: -16.087
flat angles C4'-P-C4' energy: -18.648
flat angles P-C4'-P energy: -11.164
tors. eta vs tors. theta energy: -19.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -161.234299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.234299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.234299 (E_RNA)
where:
Base-Base interactions energy: -89.422
where: short stacking energy: -54.941
Base-Backbone interact. energy: 0.776
local terms energy: -72.588360
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -13.901
flat angles P-C4'-P energy: -12.464
tors. eta vs tors. theta energy: -13.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -117.199621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.199621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.199621 (E_RNA)
where:
Base-Base interactions energy: -60.263
where: short stacking energy: -36.119
Base-Backbone interact. energy: -0.213
local terms energy: -56.723307
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -20.070
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -0.150
tors. eta vs tors. theta energy: -3.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -118.241610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.241610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.241610 (E_RNA)
where:
Base-Base interactions energy: -60.601
where: short stacking energy: -34.082
Base-Backbone interact. energy: -0.598
local terms energy: -57.043548
where:
bonds (distance) C4'-P energy: -8.021
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -7.646
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: 4
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -115.925685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.925685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.925685 (E_RNA)
where:
Base-Base interactions energy: -51.361
where: short stacking energy: -41.030
Base-Backbone interact. energy: -0.011
local terms energy: -64.553891
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -16.745
flat angles C4'-P-C4' energy: -16.944
flat angles P-C4'-P energy: -6.984
tors. eta vs tors. theta energy: -9.957
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: 2
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -82.439735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.439735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.439735 (E_RNA)
where:
Base-Base interactions energy: -26.379
where: short stacking energy: -23.220
Base-Backbone interact. energy: -0.218
local terms energy: -55.843118
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -12.904
flat angles P-C4'-P energy: -5.033
tors. eta vs tors. theta energy: -6.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -90.855672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.855672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.855672 (E_RNA)
where:
Base-Base interactions energy: -41.100
where: short stacking energy: -22.820
Base-Backbone interact. energy: -0.418
local terms energy: -49.337966
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -8.902
flat angles P-C4'-P energy: -6.640
tors. eta vs tors. theta energy: -6.546
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: 9
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -255.993202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.993202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.993202 (E_RNA)
where:
Base-Base interactions energy: -167.889
where: short stacking energy: -77.561
Base-Backbone interact. energy: -1.393
local terms energy: -86.711435
where:
bonds (distance) C4'-P energy: -17.153
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -19.064
flat angles P-C4'-P energy: -11.869
tors. eta vs tors. theta energy: -24.494
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: 305
Temperature: 0.950000
Total energy: -252.498467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.498467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.498467 (E_RNA)
where:
Base-Base interactions energy: -164.094
where: short stacking energy: -72.428
Base-Backbone interact. energy: -0.408
local terms energy: -87.996425
where:
bonds (distance) C4'-P energy: -17.688
bonds (distance) P-C4' energy: -18.146
flat angles C4'-P-C4' energy: -20.017
flat angles P-C4'-P energy: -13.662
tors. eta vs tors. theta energy: -18.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -205.378270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.378270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.378270 (E_RNA)
where:
Base-Base interactions energy: -124.992
where: short stacking energy: -52.769
Base-Backbone interact. energy: -0.132
local terms energy: -80.254483
where:
bonds (distance) C4'-P energy: -18.383
bonds (distance) P-C4' energy: -18.028
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -19.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -209.148243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.148243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.148243 (E_RNA)
where:
Base-Base interactions energy: -124.132
where: short stacking energy: -62.736
Base-Backbone interact. energy: -0.468
local terms energy: -84.548663
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -18.725
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -25.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -133.800375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.800375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.800375 (E_RNA)
where:
Base-Base interactions energy: -81.040
where: short stacking energy: -51.805
Base-Backbone interact. energy: 3.325
local terms energy: -56.085406
where:
bonds (distance) C4'-P energy: -10.683
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -13.426
tors. eta vs tors. theta energy: -4.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -99.206109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.206109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.206109 (E_RNA)
where:
Base-Base interactions energy: -33.812
where: short stacking energy: -32.603
Base-Backbone interact. energy: -0.194
local terms energy: -65.200160
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -8.805
tors. eta vs tors. theta energy: -9.297
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: 3
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -113.763031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.763031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.763031 (E_RNA)
where:
Base-Base interactions energy: -45.847
where: short stacking energy: -43.708
Base-Backbone interact. energy: 0.717
local terms energy: -68.632881
where:
bonds (distance) C4'-P energy: -18.242
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -13.218
tors. eta vs tors. theta energy: -5.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -101.835762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.835762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.835762 (E_RNA)
where:
Base-Base interactions energy: -47.359
where: short stacking energy: -21.344
Base-Backbone interact. energy: -0.190
local terms energy: -54.286104
where:
bonds (distance) C4'-P energy: -15.209
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -4.377
tors. eta vs tors. theta energy: -1.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -88.365752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.365752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.365752 (E_RNA)
where:
Base-Base interactions energy: -33.142
where: short stacking energy: -21.735
Base-Backbone interact. energy: -0.230
local terms energy: -54.994146
where:
bonds (distance) C4'-P energy: -13.074
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -9.317
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -3.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -77.312574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.312574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.312574 (E_RNA)
where:
Base-Base interactions energy: -29.832
where: short stacking energy: -27.612
Base-Backbone interact. energy: -0.152
local terms energy: -47.328580
where:
bonds (distance) C4'-P energy: -18.161
bonds (distance) P-C4' energy: -8.501
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -9.526
tors. eta vs tors. theta energy: 3.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -241.720037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.720037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.720037 (E_RNA)
where:
Base-Base interactions energy: -155.477
where: short stacking energy: -73.963
Base-Backbone interact. energy: -0.094
local terms energy: -86.148945
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -13.696
flat angles C4'-P-C4' energy: -21.333
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -21.965
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: 306
Temperature: 0.950000
Total energy: -245.577045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.577045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.577045 (E_RNA)
where:
Base-Base interactions energy: -155.710
where: short stacking energy: -81.152
Base-Backbone interact. energy: -0.071
local terms energy: -89.796294
where:
bonds (distance) C4'-P energy: -18.144
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -14.092
tors. eta vs tors. theta energy: -24.217
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: 3, replica: 1
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -212.234097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.234097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.234097 (E_RNA)
where:
Base-Base interactions energy: -126.252
where: short stacking energy: -64.595
Base-Backbone interact. energy: -0.129
local terms energy: -85.852179
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -16.714
flat angles P-C4'-P energy: -12.493
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: 306
Temperature: 1.050000
Total energy: -197.903367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.903367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.903367 (E_RNA)
where:
Base-Base interactions energy: -116.740
where: short stacking energy: -57.253
Base-Backbone interact. energy: -0.197
local terms energy: -80.966087
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -15.025
tors. eta vs tors. theta energy: -15.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -108.869679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.869679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.869679 (E_RNA)
where:
Base-Base interactions energy: -46.492
where: short stacking energy: -36.808
Base-Backbone interact. energy: -0.128
local terms energy: -62.249465
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -16.235
flat angles C4'-P-C4' energy: -17.122
flat angles P-C4'-P energy: -8.669
tors. eta vs tors. theta energy: -5.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -147.372940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.372940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.372940 (E_RNA)
where:
Base-Base interactions energy: -76.859
where: short stacking energy: -44.817
Base-Backbone interact. energy: -0.187
local terms energy: -70.327555
where:
bonds (distance) C4'-P energy: -15.520
bonds (distance) P-C4' energy: -17.639
flat angles C4'-P-C4' energy: -18.522
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -6.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -119.643183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.643183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.643183 (E_RNA)
where:
Base-Base interactions energy: -57.246
where: short stacking energy: -56.841
Base-Backbone interact. energy: 0.082
local terms energy: -62.479149
where:
bonds (distance) C4'-P energy: -6.639
bonds (distance) P-C4' energy: -13.745
flat angles C4'-P-C4' energy: -15.406
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -15.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -86.553322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.553322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.553322 (E_RNA)
where:
Base-Base interactions energy: -30.586
where: short stacking energy: -29.736
Base-Backbone interact. energy: -0.459
local terms energy: -55.508100
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -18.373
flat angles C4'-P-C4' energy: -11.937
flat angles P-C4'-P energy: -7.847
tors. eta vs tors. theta energy: -2.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -83.600229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.600229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.600229 (E_RNA)
where:
Base-Base interactions energy: -28.872
where: short stacking energy: -28.872
Base-Backbone interact. energy: -0.052
local terms energy: -54.676758
where:
bonds (distance) C4'-P energy: -16.151
bonds (distance) P-C4' energy: -13.142
flat angles C4'-P-C4' energy: -9.977
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -5.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -75.650670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.650670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.650670 (E_RNA)
where:
Base-Base interactions energy: -23.799
where: short stacking energy: -22.487
Base-Backbone interact. energy: -0.694
local terms energy: -51.158612
where:
bonds (distance) C4'-P energy: -13.501
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -9.734
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: -0.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -250.928173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.928173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.928173 (E_RNA)
where:
Base-Base interactions energy: -167.092
where: short stacking energy: -67.087
Base-Backbone interact. energy: -0.639
local terms energy: -83.196883
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -18.752
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -15.261
tors. eta vs tors. theta energy: -16.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -241.632427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.632427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.632427 (E_RNA)
where:
Base-Base interactions energy: -161.762
where: short stacking energy: -73.403
Base-Backbone interact. energy: -0.112
local terms energy: -79.757931
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -14.721
flat angles C4'-P-C4' energy: -17.512
flat angles P-C4'-P energy: -11.442
tors. eta vs tors. theta energy: -21.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -206.454656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.454656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.454656 (E_RNA)
where:
Base-Base interactions energy: -127.347
where: short stacking energy: -74.504
Base-Backbone interact. energy: -0.039
local terms energy: -79.069151
where:
bonds (distance) C4'-P energy: -18.845
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: -20.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -164.704148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.704148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.704148 (E_RNA)
where:
Base-Base interactions energy: -106.711
where: short stacking energy: -56.538
Base-Backbone interact. energy: -0.038
local terms energy: -57.955012
where:
bonds (distance) C4'-P energy: -12.088
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -10.518
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -13.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -108.017531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.017531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.017531 (E_RNA)
where:
Base-Base interactions energy: -38.439
where: short stacking energy: -38.439
Base-Backbone interact. energy: -0.211
local terms energy: -69.367911
where:
bonds (distance) C4'-P energy: -15.111
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -13.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -179.327484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.327484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.327484 (E_RNA)
where:
Base-Base interactions energy: -115.814
where: short stacking energy: -52.440
Base-Backbone interact. energy: 0.228
local terms energy: -63.741339
where:
bonds (distance) C4'-P energy: -8.229
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -12.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -110.592492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.592492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.592492 (E_RNA)
where:
Base-Base interactions energy: -50.110
where: short stacking energy: -29.817
Base-Backbone interact. energy: -0.449
local terms energy: -60.033042
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -6.656
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: 8, replica: 3
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -89.540719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.540719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.540719 (E_RNA)
where:
Base-Base interactions energy: -31.626
where: short stacking energy: -31.626
Base-Backbone interact. energy: 0.931
local terms energy: -58.846241
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -18.497
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -0.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -84.071460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.071460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.071460 (E_RNA)
where:
Base-Base interactions energy: -22.564
where: short stacking energy: -22.564
Base-Backbone interact. energy: 2.035
local terms energy: -63.542820
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -21.833
flat angles C4'-P-C4' energy: -10.996
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -3.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -85.931269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.931269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.931269 (E_RNA)
where:
Base-Base interactions energy: -30.571
where: short stacking energy: -12.879
Base-Backbone interact. energy: -0.980
local terms energy: -54.380482
where:
bonds (distance) C4'-P energy: -15.702
bonds (distance) P-C4' energy: -19.033
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: 4.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -263.958270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.958270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.958270 (E_RNA)
where:
Base-Base interactions energy: -176.727
where: short stacking energy: -64.514
Base-Backbone interact. energy: -1.206
local terms energy: -86.025504
where:
bonds (distance) C4'-P energy: -17.217
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -19.979
flat angles P-C4'-P energy: -13.265
tors. eta vs tors. theta energy: -19.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -246.050428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.050428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.050428 (E_RNA)
where:
Base-Base interactions energy: -160.588
where: short stacking energy: -79.027
Base-Backbone interact. energy: -0.038
local terms energy: -85.424222
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -19.366
flat angles P-C4'-P energy: -15.057
tors. eta vs tors. theta energy: -23.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -224.398331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.398331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.398331 (E_RNA)
where:
Base-Base interactions energy: -136.117
where: short stacking energy: -77.083
Base-Backbone interact. energy: -0.012
local terms energy: -88.269408
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -17.593
flat angles C4'-P-C4' energy: -19.371
flat angles P-C4'-P energy: -10.890
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: 5
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -186.821270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.821270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.821270 (E_RNA)
where:
Base-Base interactions energy: -99.926
where: short stacking energy: -54.603
Base-Backbone interact. energy: -0.016
local terms energy: -86.879405
where:
bonds (distance) C4'-P energy: -18.411
bonds (distance) P-C4' energy: -18.711
flat angles C4'-P-C4' energy: -19.982
flat angles P-C4'-P energy: -12.230
tors. eta vs tors. theta energy: -17.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -201.901580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.901580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.901580 (E_RNA)
where:
Base-Base interactions energy: -125.180
where: short stacking energy: -61.738
Base-Backbone interact. energy: -0.209
local terms energy: -76.513241
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -11.708
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: 6, replica: 7
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -111.378457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.378457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.378457 (E_RNA)
where:
Base-Base interactions energy: -37.194
where: short stacking energy: -34.758
Base-Backbone interact. energy: 1.495
local terms energy: -75.679203
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -18.372
flat angles C4'-P-C4' energy: -20.709
flat angles P-C4'-P energy: -11.968
tors. eta vs tors. theta energy: -11.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -107.952844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.952844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.952844 (E_RNA)
where:
Base-Base interactions energy: -52.283
where: short stacking energy: -32.064
Base-Backbone interact. energy: -0.068
local terms energy: -55.601897
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -14.954
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: -0.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -85.773532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.773532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.773532 (E_RNA)
where:
Base-Base interactions energy: -31.755
where: short stacking energy: -28.335
Base-Backbone interact. energy: -0.199
local terms energy: -53.819578
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -13.022
flat angles P-C4'-P energy: -7.911
tors. eta vs tors. theta energy: -1.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -89.102147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.102147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.102147 (E_RNA)
where:
Base-Base interactions energy: -31.843
where: short stacking energy: -26.488
Base-Backbone interact. energy: -0.115
local terms energy: -57.144750
where:
bonds (distance) C4'-P energy: -9.209
bonds (distance) P-C4' energy: -18.442
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -11.450
tors. eta vs tors. theta energy: -2.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -89.938362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.938362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.938362 (E_RNA)
where:
Base-Base interactions energy: -30.790
where: short stacking energy: -28.756
Base-Backbone interact. energy: 0.479
local terms energy: -59.627320
where:
bonds (distance) C4'-P energy: -15.155
bonds (distance) P-C4' energy: -14.015
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -9.592
tors. eta vs tors. theta energy: -4.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -256.069343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.069343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.069343 (E_RNA)
where:
Base-Base interactions energy: -164.681
where: short stacking energy: -67.087
Base-Backbone interact. energy: -0.146
local terms energy: -91.241507
where:
bonds (distance) C4'-P energy: -15.972
bonds (distance) P-C4' energy: -17.855
flat angles C4'-P-C4' energy: -17.679
flat angles P-C4'-P energy: -16.958
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: 2, replica: 9
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -248.680340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.680340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.680340 (E_RNA)
where:
Base-Base interactions energy: -163.503
where: short stacking energy: -80.378
Base-Backbone interact. energy: 0.220
local terms energy: -85.397145
where:
bonds (distance) C4'-P energy: -16.764
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -24.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -210.974308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.974308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.974308 (E_RNA)
where:
Base-Base interactions energy: -133.768
where: short stacking energy: -62.746
Base-Backbone interact. energy: 1.222
local terms energy: -78.428017
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -16.874
flat angles C4'-P-C4' energy: -18.170
flat angles P-C4'-P energy: -12.193
tors. eta vs tors. theta energy: -16.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -221.811146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.811146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.811146 (E_RNA)
where:
Base-Base interactions energy: -141.941
where: short stacking energy: -71.464
Base-Backbone interact. energy: -0.231
local terms energy: -79.639477
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -11.899
flat angles C4'-P-C4' energy: -21.160
flat angles P-C4'-P energy: -13.874
tors. eta vs tors. theta energy: -17.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -182.967764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.967764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.967764 (E_RNA)
where:
Base-Base interactions energy: -107.030
where: short stacking energy: -45.391
Base-Backbone interact. energy: -0.224
local terms energy: -75.714275
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -19.454
flat angles C4'-P-C4' energy: -16.646
flat angles P-C4'-P energy: -16.091
tors. eta vs tors. theta energy: -9.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -135.801580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.801580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.801580 (E_RNA)
where:
Base-Base interactions energy: -75.375
where: short stacking energy: -33.925
Base-Backbone interact. energy: -0.117
local terms energy: -60.309244
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -17.999
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -7.816
tors. eta vs tors. theta energy: -6.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -96.294593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.294593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.294593 (E_RNA)
where:
Base-Base interactions energy: -42.384
where: short stacking energy: -33.682
Base-Backbone interact. energy: -0.047
local terms energy: -53.864223
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -12.064
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: 1.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -118.097601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.097601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.097601 (E_RNA)
where:
Base-Base interactions energy: -72.118
where: short stacking energy: -26.522
Base-Backbone interact. energy: 1.943
local terms energy: -47.922728
where:
bonds (distance) C4'-P energy: -11.142
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -5.783
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -4.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -100.972656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.972656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.972656 (E_RNA)
where:
Base-Base interactions energy: -46.501
where: short stacking energy: -25.057
Base-Backbone interact. energy: -0.202
local terms energy: -54.269746
where:
bonds (distance) C4'-P energy: -14.308
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -10.261
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -4.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -81.837631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.837631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.837631 (E_RNA)
where:
Base-Base interactions energy: -30.360
where: short stacking energy: -25.073
Base-Backbone interact. energy: -0.985
local terms energy: -50.492330
where:
bonds (distance) C4'-P energy: -18.333
bonds (distance) P-C4' energy: -18.715
flat angles C4'-P-C4' energy: -10.096
flat angles P-C4'-P energy: -5.187
tors. eta vs tors. theta energy: 1.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -247.086957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.086957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.086957 (E_RNA)
where:
Base-Base interactions energy: -174.450
where: short stacking energy: -71.573
Base-Backbone interact. energy: -1.495
local terms energy: -71.141915
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -10.106
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -11.544
tors. eta vs tors. theta energy: -17.288
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: 6
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -259.674867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.674867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.674867 (E_RNA)
where:
Base-Base interactions energy: -169.738
where: short stacking energy: -79.536
Base-Backbone interact. energy: -0.011
local terms energy: -89.926020
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -14.125
tors. eta vs tors. theta energy: -27.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -223.100443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.100443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.100443 (E_RNA)
where:
Base-Base interactions energy: -143.272
where: short stacking energy: -81.435
Base-Backbone interact. energy: -0.014
local terms energy: -79.814347
where:
bonds (distance) C4'-P energy: -17.262
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -24.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -186.868190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.868190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.868190 (E_RNA)
where:
Base-Base interactions energy: -117.454
where: short stacking energy: -49.151
Base-Backbone interact. energy: -0.910
local terms energy: -68.504109
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -19.199
flat angles C4'-P-C4' energy: -10.974
flat angles P-C4'-P energy: -12.973
tors. eta vs tors. theta energy: -11.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -198.707972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.707972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.707972 (E_RNA)
where:
Base-Base interactions energy: -118.302
where: short stacking energy: -60.332
Base-Backbone interact. energy: -0.911
local terms energy: -79.494622
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -16.169
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -22.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -103.149950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.149950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.149950 (E_RNA)
where:
Base-Base interactions energy: -40.371
where: short stacking energy: -35.704
Base-Backbone interact. energy: -0.261
local terms energy: -62.517741
where:
bonds (distance) C4'-P energy: -9.528
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -13.585
tors. eta vs tors. theta energy: -6.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -104.515707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.515707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.515707 (E_RNA)
where:
Base-Base interactions energy: -52.907
where: short stacking energy: -34.667
Base-Backbone interact. energy: 0.225
local terms energy: -51.833452
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -7.544
flat angles P-C4'-P energy: -4.364
tors. eta vs tors. theta energy: -10.123
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: 8, replica: 7
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -89.199619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.199619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.199619 (E_RNA)
where:
Base-Base interactions energy: -33.997
where: short stacking energy: -28.716
Base-Backbone interact. energy: 0.684
local terms energy: -55.886718
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -17.808
flat angles C4'-P-C4' energy: -12.035
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -3.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -93.765600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.765600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.765600 (E_RNA)
where:
Base-Base interactions energy: -40.685
where: short stacking energy: -35.803
Base-Backbone interact. energy: 2.878
local terms energy: -55.958773
where:
bonds (distance) C4'-P energy: -10.762
bonds (distance) P-C4' energy: -17.874
flat angles C4'-P-C4' energy: -13.379
flat angles P-C4'-P energy: -7.663
tors. eta vs tors. theta energy: -6.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -87.936300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.936300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.936300 (E_RNA)
where:
Base-Base interactions energy: -30.167
where: short stacking energy: -23.040
Base-Backbone interact. energy: -1.337
local terms energy: -56.432591
where:
bonds (distance) C4'-P energy: -17.245
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -11.849
flat angles P-C4'-P energy: -11.218
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: 1, replica: 9
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -267.603582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.603582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.603582 (E_RNA)
where:
Base-Base interactions energy: -177.213
where: short stacking energy: -79.846
Base-Backbone interact. energy: -1.483
local terms energy: -88.908365
where:
bonds (distance) C4'-P energy: -14.498
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -14.315
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: 2, replica: 6
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -251.954518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.954518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.954518 (E_RNA)
where:
Base-Base interactions energy: -165.267
where: short stacking energy: -73.235
Base-Backbone interact. energy: -0.876
local terms energy: -85.811248
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -17.589
flat angles C4'-P-C4' energy: -19.736
flat angles P-C4'-P energy: -12.664
tors. eta vs tors. theta energy: -21.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -216.059615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.059615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.059615 (E_RNA)
where:
Base-Base interactions energy: -130.478
where: short stacking energy: -75.486
Base-Backbone interact. energy: 0.044
local terms energy: -85.626042
where:
bonds (distance) C4'-P energy: -18.621
bonds (distance) P-C4' energy: -19.997
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -13.979
tors. eta vs tors. theta energy: -19.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -202.229332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.229332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.229332 (E_RNA)
where:
Base-Base interactions energy: -123.835
where: short stacking energy: -61.915
Base-Backbone interact. energy: -0.127
local terms energy: -78.267098
where:
bonds (distance) C4'-P energy: -16.976
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -18.748
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: 10
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -193.809892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.809892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.809892 (E_RNA)
where:
Base-Base interactions energy: -125.689
where: short stacking energy: -61.115
Base-Backbone interact. energy: -0.015
local terms energy: -68.105296
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -17.043
flat angles C4'-P-C4' energy: -17.744
flat angles P-C4'-P energy: -2.837
tors. eta vs tors. theta energy: -16.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -115.462247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.462247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.462247 (E_RNA)
where:
Base-Base interactions energy: -55.464
where: short stacking energy: -41.036
Base-Backbone interact. energy: 0.240
local terms energy: -60.238725
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -11.927
flat angles P-C4'-P energy: -14.566
tors. eta vs tors. theta energy: -4.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -107.012311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.012311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.012311 (E_RNA)
where:
Base-Base interactions energy: -56.613
where: short stacking energy: -38.200
Base-Backbone interact. energy: -0.066
local terms energy: -50.333411
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -11.684
flat angles P-C4'-P energy: -4.142
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: 8, replica: 3
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -88.343764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.343764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.343764 (E_RNA)
where:
Base-Base interactions energy: -31.557
where: short stacking energy: -28.555
Base-Backbone interact. energy: -0.144
local terms energy: -56.643096
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -9.427
flat angles P-C4'-P energy: -6.572
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: 9, replica: 7
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -93.943098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.943098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.943098 (E_RNA)
where:
Base-Base interactions energy: -38.579
where: short stacking energy: -26.026
Base-Backbone interact. energy: -0.256
local terms energy: -55.108746
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -16.433
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -6.132
tors. eta vs tors. theta energy: -1.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -90.271588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.271588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.271588 (E_RNA)
where:
Base-Base interactions energy: -29.034
where: short stacking energy: -24.631
Base-Backbone interact. energy: -0.078
local terms energy: -61.158878
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -18.278
flat angles C4'-P-C4' energy: -13.920
flat angles P-C4'-P energy: -12.551
tors. eta vs tors. theta energy: 0.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -265.807127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.807127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.807127 (E_RNA)
where:
Base-Base interactions energy: -177.611
where: short stacking energy: -75.540
Base-Backbone interact. energy: -0.010
local terms energy: -88.186179
where:
bonds (distance) C4'-P energy: -18.250
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -18.778
flat angles P-C4'-P energy: -12.505
tors. eta vs tors. theta energy: -22.522
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: 6
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -244.185866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.185866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.185866 (E_RNA)
where:
Base-Base interactions energy: -157.713
where: short stacking energy: -79.131
Base-Backbone interact. energy: -0.001
local terms energy: -86.471800
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -13.439
tors. eta vs tors. theta energy: -24.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -211.954243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.954243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.954243 (E_RNA)
where:
Base-Base interactions energy: -133.891
where: short stacking energy: -73.820
Base-Backbone interact. energy: -0.018
local terms energy: -78.044847
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -17.353
flat angles C4'-P-C4' energy: -18.158
flat angles P-C4'-P energy: -12.524
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: 4, replica: 1
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -205.071438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.071438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.071438 (E_RNA)
where:
Base-Base interactions energy: -130.739
where: short stacking energy: -56.651
Base-Backbone interact. energy: -0.093
local terms energy: -74.239839
where:
bonds (distance) C4'-P energy: -12.465
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -17.445
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -18.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -202.393409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.393409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.393409 (E_RNA)
where:
Base-Base interactions energy: -125.133
where: short stacking energy: -61.825
Base-Backbone interact. energy: -0.203
local terms energy: -77.057215
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -13.219
flat angles P-C4'-P energy: -13.564
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: 6, replica: 4
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -115.628056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.628056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.628056 (E_RNA)
where:
Base-Base interactions energy: -54.404
where: short stacking energy: -41.046
Base-Backbone interact. energy: 1.969
local terms energy: -63.192878
where:
bonds (distance) C4'-P energy: -11.870
bonds (distance) P-C4' energy: -18.897
flat angles C4'-P-C4' energy: -18.833
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: -4.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -99.795634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.795634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.795634 (E_RNA)
where:
Base-Base interactions energy: -41.567
where: short stacking energy: -41.567
Base-Backbone interact. energy: 0.454
local terms energy: -58.682273
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -6.194
tors. eta vs tors. theta energy: -4.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -89.980396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.980396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.980396 (E_RNA)
where:
Base-Base interactions energy: -31.082
where: short stacking energy: -22.477
Base-Backbone interact. energy: -0.553
local terms energy: -58.345234
where:
bonds (distance) C4'-P energy: -16.157
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -3.062
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: 7
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -95.232700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.232700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.232700 (E_RNA)
where:
Base-Base interactions energy: -43.452
where: short stacking energy: -37.356
Base-Backbone interact. energy: -0.163
local terms energy: -51.617655
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: 2.625
tors. eta vs tors. theta energy: -9.282
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: 8
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -84.085788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.085788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.085788 (E_RNA)
where:
Base-Base interactions energy: -34.143
where: short stacking energy: -20.847
Base-Backbone interact. energy: -0.812
local terms energy: -49.130938
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -9.882
flat angles P-C4'-P energy: -7.939
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: 1, replica: 9
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -260.348871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.348871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.348871 (E_RNA)
where:
Base-Base interactions energy: -172.080
where: short stacking energy: -78.246
Base-Backbone interact. energy: -0.009
local terms energy: -88.259504
where:
bonds (distance) C4'-P energy: -15.441
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -19.586
flat angles P-C4'-P energy: -13.086
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: 2, replica: 6
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -249.663374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.663374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.663374 (E_RNA)
where:
Base-Base interactions energy: -167.779
where: short stacking energy: -73.763
Base-Backbone interact. energy: -0.196
local terms energy: -81.688915
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -14.082
tors. eta vs tors. theta energy: -19.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -211.518795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.518795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.518795 (E_RNA)
where:
Base-Base interactions energy: -135.375
where: short stacking energy: -56.864
Base-Backbone interact. energy: -0.143
local terms energy: -76.000789
where:
bonds (distance) C4'-P energy: -18.742
bonds (distance) P-C4' energy: -18.931
flat angles C4'-P-C4' energy: -16.869
flat angles P-C4'-P energy: -9.754
tors. eta vs tors. theta energy: -11.705
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: 4, replica: 10
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -207.284668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.284668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.284668 (E_RNA)
where:
Base-Base interactions energy: -131.601
where: short stacking energy: -61.064
Base-Backbone interact. energy: -0.016
local terms energy: -75.668420
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -20.355
flat angles P-C4'-P energy: -14.585
tors. eta vs tors. theta energy: -11.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -202.697045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.697045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.697045 (E_RNA)
where:
Base-Base interactions energy: -127.139
where: short stacking energy: -67.515
Base-Backbone interact. energy: -0.008
local terms energy: -75.550835
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -14.182
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: -19.536
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: 4
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -102.646684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.646684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.646684 (E_RNA)
where:
Base-Base interactions energy: -37.393
where: short stacking energy: -29.417
Base-Backbone interact. energy: -0.371
local terms energy: -64.882425
where:
bonds (distance) C4'-P energy: -19.129
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -3.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -98.660426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.660426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.660426 (E_RNA)
where:
Base-Base interactions energy: -35.776
where: short stacking energy: -31.116
Base-Backbone interact. energy: -0.123
local terms energy: -62.761592
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: -12.779
tors. eta vs tors. theta energy: -8.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -83.252009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.252009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.252009 (E_RNA)
where:
Base-Base interactions energy: -30.268
where: short stacking energy: -30.184
Base-Backbone interact. energy: -0.169
local terms energy: -52.815139
where:
bonds (distance) C4'-P energy: -13.396
bonds (distance) P-C4' energy: -9.800
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -1.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -80.116404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.116404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.116404 (E_RNA)
where:
Base-Base interactions energy: -27.689
where: short stacking energy: -26.499
Base-Backbone interact. energy: 1.017
local terms energy: -53.443718
where:
bonds (distance) C4'-P energy: -18.389
bonds (distance) P-C4' energy: -13.267
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -3.798
tors. eta vs tors. theta energy: -2.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -83.979927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.979927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.979927 (E_RNA)
where:
Base-Base interactions energy: -27.889
where: short stacking energy: -27.889
Base-Backbone interact. energy: -0.147
local terms energy: -55.944503
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -1.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -260.837314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.837314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.837314 (E_RNA)
where:
Base-Base interactions energy: -174.294
where: short stacking energy: -73.864
Base-Backbone interact. energy: -1.277
local terms energy: -85.265858
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -17.599
flat angles C4'-P-C4' energy: -17.912
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -21.252
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: 6
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -259.712627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.712627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.712627 (E_RNA)
where:
Base-Base interactions energy: -165.231
where: short stacking energy: -81.531
Base-Backbone interact. energy: -0.726
local terms energy: -93.756136
where:
bonds (distance) C4'-P energy: -17.716
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -14.030
tors. eta vs tors. theta energy: -26.284
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: 10
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -210.838967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.838967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.838967 (E_RNA)
where:
Base-Base interactions energy: -123.875
where: short stacking energy: -58.847
Base-Backbone interact. energy: -0.021
local terms energy: -86.943263
where:
bonds (distance) C4'-P energy: -18.495
bonds (distance) P-C4' energy: -19.002
flat angles C4'-P-C4' energy: -19.955
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -18.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -207.190591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.190591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.190591 (E_RNA)
where:
Base-Base interactions energy: -134.285
where: short stacking energy: -62.550
Base-Backbone interact. energy: -0.840
local terms energy: -72.064977
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -18.610
flat angles P-C4'-P energy: -12.173
tors. eta vs tors. theta energy: -12.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -201.502699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.502699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.502699 (E_RNA)
where:
Base-Base interactions energy: -121.781
where: short stacking energy: -61.882
Base-Backbone interact. energy: -0.043
local terms energy: -79.678272
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -19.696
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -14.570
tors. eta vs tors. theta energy: -15.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -132.534771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.534771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.534771 (E_RNA)
where:
Base-Base interactions energy: -64.874
where: short stacking energy: -33.844
Base-Backbone interact. energy: -0.199
local terms energy: -67.461549
where:
bonds (distance) C4'-P energy: -14.586
bonds (distance) P-C4' energy: -18.351
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -7.751
tors. eta vs tors. theta energy: -11.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -91.882626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.882626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.882626 (E_RNA)
where:
Base-Base interactions energy: -34.906
where: short stacking energy: -33.319
Base-Backbone interact. energy: -0.162
local terms energy: -56.814190
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -12.390
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -1.316
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: 8, replica: 7
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -92.371085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.371085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.371085 (E_RNA)
where:
Base-Base interactions energy: -34.349
where: short stacking energy: -30.008
Base-Backbone interact. energy: -0.190
local terms energy: -57.832523
where:
bonds (distance) C4'-P energy: -17.146
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -12.030
flat angles P-C4'-P energy: -12.693
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: 9, replica: 8
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -100.732921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.732921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.732921 (E_RNA)
where:
Base-Base interactions energy: -44.448
where: short stacking energy: -33.635
Base-Backbone interact. energy: 0.455
local terms energy: -56.740067
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -12.057
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: -5.381
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: 2
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -77.854098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.854098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.854098 (E_RNA)
where:
Base-Base interactions energy: -20.943
where: short stacking energy: -19.326
Base-Backbone interact. energy: -0.201
local terms energy: -56.710092
where:
bonds (distance) C4'-P energy: -17.900
bonds (distance) P-C4' energy: -11.602
flat angles C4'-P-C4' energy: -17.100
flat angles P-C4'-P energy: -8.765
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: 1, replica: 9
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -259.968313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.968313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.968313 (E_RNA)
where:
Base-Base interactions energy: -172.341
where: short stacking energy: -75.330
Base-Backbone interact. energy: -0.479
local terms energy: -87.148381
where:
bonds (distance) C4'-P energy: -17.952
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -17.596
flat angles P-C4'-P energy: -12.152
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: 6
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -259.055221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.055221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.055221 (E_RNA)
where:
Base-Base interactions energy: -161.377
where: short stacking energy: -81.925
Base-Backbone interact. energy: -0.789
local terms energy: -96.889624
where:
bonds (distance) C4'-P energy: -17.928
bonds (distance) P-C4' energy: -19.678
flat angles C4'-P-C4' energy: -18.306
flat angles P-C4'-P energy: -16.533
tors. eta vs tors. theta energy: -24.444
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: 3, replica: 10
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -216.644866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.644866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.644866 (E_RNA)
where:
Base-Base interactions energy: -138.931
where: short stacking energy: -64.167
Base-Backbone interact. energy: 0.449
local terms energy: -78.162474
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -17.192
flat angles C4'-P-C4' energy: -19.192
flat angles P-C4'-P energy: -12.676
tors. eta vs tors. theta energy: -12.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -199.313642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.313642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.313642 (E_RNA)
where:
Base-Base interactions energy: -119.364
where: short stacking energy: -61.869
Base-Backbone interact. energy: -0.152
local terms energy: -79.797743
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -18.349
flat angles P-C4'-P energy: -10.129
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: 5, replica: 5
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -192.284070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.284070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.284070 (E_RNA)
where:
Base-Base interactions energy: -121.175
where: short stacking energy: -52.355
Base-Backbone interact. energy: -0.313
local terms energy: -70.795374
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -11.173
tors. eta vs tors. theta energy: -12.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -98.452973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.452973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.452973 (E_RNA)
where:
Base-Base interactions energy: -42.149
where: short stacking energy: -30.026
Base-Backbone interact. energy: -0.679
local terms energy: -55.625259
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -17.899
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -5.603
tors. eta vs tors. theta energy: -3.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -92.573085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.573085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.573085 (E_RNA)
where:
Base-Base interactions energy: -34.505
where: short stacking energy: -32.295
Base-Backbone interact. energy: -0.963
local terms energy: -57.105666
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -17.261
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -7.874
tors. eta vs tors. theta energy: -2.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -95.304110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.304110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.304110 (E_RNA)
where:
Base-Base interactions energy: -39.686
where: short stacking energy: -31.977
Base-Backbone interact. energy: -0.068
local terms energy: -55.550468
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -17.815
flat angles C4'-P-C4' energy: -9.416
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -1.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -86.775215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.775215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.775215 (E_RNA)
where:
Base-Base interactions energy: -24.634
where: short stacking energy: -24.634
Base-Backbone interact. energy: 0.502
local terms energy: -62.643489
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -12.711
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -13.101
tors. eta vs tors. theta energy: -5.123
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: 2
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -93.618942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.618942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.618942 (E_RNA)
where:
Base-Base interactions energy: -32.240
where: short stacking energy: -17.207
Base-Backbone interact. energy: -0.401
local terms energy: -60.978112
where:
bonds (distance) C4'-P energy: -18.520
bonds (distance) P-C4' energy: -18.802
flat angles C4'-P-C4' energy: -14.634
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: 0.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -255.639189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.639189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.639189 (E_RNA)
where:
Base-Base interactions energy: -164.493
where: short stacking energy: -78.505
Base-Backbone interact. energy: -0.001
local terms energy: -91.145605
where:
bonds (distance) C4'-P energy: -18.731
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -18.739
flat angles P-C4'-P energy: -13.229
tors. eta vs tors. theta energy: -23.756
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: 9
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -253.570268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.570268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.570268 (E_RNA)
where:
Base-Base interactions energy: -165.595
where: short stacking energy: -76.357
Base-Backbone interact. energy: -0.494
local terms energy: -87.480612
where:
bonds (distance) C4'-P energy: -18.565
bonds (distance) P-C4' energy: -17.518
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -12.101
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: 3, replica: 10
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -211.262561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.262561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.262561 (E_RNA)
where:
Base-Base interactions energy: -128.509
where: short stacking energy: -59.128
Base-Backbone interact. energy: -0.141
local terms energy: -82.611989
where:
bonds (distance) C4'-P energy: -19.033
bonds (distance) P-C4' energy: -20.913
flat angles C4'-P-C4' energy: -16.998
flat angles P-C4'-P energy: -12.975
tors. eta vs tors. theta energy: -12.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -194.377255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.377255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.377255 (E_RNA)
where:
Base-Base interactions energy: -118.112
where: short stacking energy: -59.728
Base-Backbone interact. energy: -0.036
local terms energy: -76.229088
where:
bonds (distance) C4'-P energy: -13.173
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -18.081
flat angles P-C4'-P energy: -14.425
tors. eta vs tors. theta energy: -15.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -192.936860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.936860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.936860 (E_RNA)
where:
Base-Base interactions energy: -120.557
where: short stacking energy: -64.082
Base-Backbone interact. energy: -0.342
local terms energy: -72.038604
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -16.062
flat angles P-C4'-P energy: -10.903
tors. eta vs tors. theta energy: -14.852
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: 3
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -101.432141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.432141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.432141 (E_RNA)
where:
Base-Base interactions energy: -38.436
where: short stacking energy: -32.272
Base-Backbone interact. energy: -0.016
local terms energy: -62.980253
where:
bonds (distance) C4'-P energy: -10.832
bonds (distance) P-C4' energy: -15.828
flat angles C4'-P-C4' energy: -16.492
flat angles P-C4'-P energy: -12.651
tors. eta vs tors. theta energy: -7.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -98.651376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.651376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.651376 (E_RNA)
where:
Base-Base interactions energy: -30.429
where: short stacking energy: -30.429
Base-Backbone interact. energy: -0.399
local terms energy: -67.824114
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -14.332
tors. eta vs tors. theta energy: -3.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -93.082178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.082178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.082178 (E_RNA)
where:
Base-Base interactions energy: -29.273
where: short stacking energy: -25.083
Base-Backbone interact. energy: -0.494
local terms energy: -63.315152
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -20.892
flat angles C4'-P-C4' energy: -12.762
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -3.984
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: 2
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -87.096979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.096979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.096979 (E_RNA)
where:
Base-Base interactions energy: -37.892
where: short stacking energy: -31.988
Base-Backbone interact. energy: 0.179
local terms energy: -49.384153
where:
bonds (distance) C4'-P energy: -11.275
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -10.504
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -2.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -79.674477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.674477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.674477 (E_RNA)
where:
Base-Base interactions energy: -27.056
where: short stacking energy: -27.056
Base-Backbone interact. energy: -0.691
local terms energy: -51.927779
where:
bonds (distance) C4'-P energy: -13.421
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -4.455
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: 1, replica: 6
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -254.212897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.212897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.212897 (E_RNA)
where:
Base-Base interactions energy: -169.049
where: short stacking energy: -75.502
Base-Backbone interact. energy: 1.338
local terms energy: -86.502355
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -19.648
flat angles P-C4'-P energy: -15.494
tors. eta vs tors. theta energy: -21.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -251.689649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.689649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.689649 (E_RNA)
where:
Base-Base interactions energy: -162.170
where: short stacking energy: -67.170
Base-Backbone interact. energy: -0.414
local terms energy: -89.105504
where:
bonds (distance) C4'-P energy: -19.166
bonds (distance) P-C4' energy: -19.274
flat angles C4'-P-C4' energy: -19.157
flat angles P-C4'-P energy: -12.367
tors. eta vs tors. theta energy: -19.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -221.592359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.592359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.592359 (E_RNA)
where:
Base-Base interactions energy: -144.389
where: short stacking energy: -69.438
Base-Backbone interact. energy: -0.133
local terms energy: -77.071193
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -17.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -200.082026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.082026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.082026 (E_RNA)
where:
Base-Base interactions energy: -122.325
where: short stacking energy: -72.618
Base-Backbone interact. energy: -0.070
local terms energy: -77.687299
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -12.689
tors. eta vs tors. theta energy: -19.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -194.063436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.063436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.063436 (E_RNA)
where:
Base-Base interactions energy: -110.421
where: short stacking energy: -63.724
Base-Backbone interact. energy: -0.045
local terms energy: -83.597481
where:
bonds (distance) C4'-P energy: -12.311
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -17.775
flat angles P-C4'-P energy: -13.368
tors. eta vs tors. theta energy: -20.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -111.945491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.945491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.945491 (E_RNA)
where:
Base-Base interactions energy: -41.821
where: short stacking energy: -41.821
Base-Backbone interact. energy: -0.099
local terms energy: -70.025478
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -12.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -105.921162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.921162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.921162 (E_RNA)
where:
Base-Base interactions energy: -44.146
where: short stacking energy: -39.415
Base-Backbone interact. energy: -0.058
local terms energy: -61.717036
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -17.519
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -12.535
tors. eta vs tors. theta energy: -6.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -89.863964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.863964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.863964 (E_RNA)
where:
Base-Base interactions energy: -28.489
where: short stacking energy: -17.362
Base-Backbone interact. energy: -1.259
local terms energy: -60.115986
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -13.624
tors. eta vs tors. theta energy: -1.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -94.066077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.066077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.066077 (E_RNA)
where:
Base-Base interactions energy: -38.813
where: short stacking energy: -35.742
Base-Backbone interact. energy: -0.155
local terms energy: -55.097560
where:
bonds (distance) C4'-P energy: -11.612
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -6.838
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: 7
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -82.592456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.592456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.592456 (E_RNA)
where:
Base-Base interactions energy: -21.264
where: short stacking energy: -21.264
Base-Backbone interact. energy: -0.243
local terms energy: -61.085664
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -20.165
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -5.440
tors. eta vs tors. theta energy: -5.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -259.109784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.109784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.109784 (E_RNA)
where:
Base-Base interactions energy: -173.660
where: short stacking energy: -79.525
Base-Backbone interact. energy: -0.026
local terms energy: -85.423449
where:
bonds (distance) C4'-P energy: -17.918
bonds (distance) P-C4' energy: -15.816
flat angles C4'-P-C4' energy: -17.507
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: -22.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -256.555333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.555333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.555333 (E_RNA)
where:
Base-Base interactions energy: -167.825
where: short stacking energy: -78.689
Base-Backbone interact. energy: -0.061
local terms energy: -88.668894
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -20.418
flat angles C4'-P-C4' energy: -19.681
flat angles P-C4'-P energy: -11.668
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: 3, replica: 1
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -203.985526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.985526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.985526 (E_RNA)
where:
Base-Base interactions energy: -126.444
where: short stacking energy: -61.931
Base-Backbone interact. energy: -0.424
local terms energy: -77.118339
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -17.754
flat angles C4'-P-C4' energy: -18.745
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -14.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -207.161294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.161294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.161294 (E_RNA)
where:
Base-Base interactions energy: -131.777
where: short stacking energy: -59.227
Base-Backbone interact. energy: -0.135
local terms energy: -75.248566
where:
bonds (distance) C4'-P energy: -14.125
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -20.224
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: -14.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -207.776026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.776026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.776026 (E_RNA)
where:
Base-Base interactions energy: -138.420
where: short stacking energy: -61.652
Base-Backbone interact. energy: -0.043
local terms energy: -69.312542
where:
bonds (distance) C4'-P energy: -5.995
bonds (distance) P-C4' energy: -14.844
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -19.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -97.718003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.718003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.718003 (E_RNA)
where:
Base-Base interactions energy: -35.916
where: short stacking energy: -35.180
Base-Backbone interact. energy: -0.097
local terms energy: -61.705333
where:
bonds (distance) C4'-P energy: -9.764
bonds (distance) P-C4' energy: -16.958
flat angles C4'-P-C4' energy: -16.693
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -7.106
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: 2
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -98.711349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.711349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.711349 (E_RNA)
where:
Base-Base interactions energy: -29.367
where: short stacking energy: -28.826
Base-Backbone interact. energy: -0.308
local terms energy: -69.036208
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -19.038
flat angles C4'-P-C4' energy: -18.011
flat angles P-C4'-P energy: -8.507
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: 8, replica: 3
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -102.007076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.007076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.007076 (E_RNA)
where:
Base-Base interactions energy: -58.036
where: short stacking energy: -29.366
Base-Backbone interact. energy: 2.685
local terms energy: -46.656360
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -11.754
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -7.194
tors. eta vs tors. theta energy: -0.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -87.161911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.161911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.161911 (E_RNA)
where:
Base-Base interactions energy: -35.247
where: short stacking energy: -26.036
Base-Backbone interact. energy: -0.079
local terms energy: -51.835483
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -12.803
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: 2.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -82.720057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.720057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.720057 (E_RNA)
where:
Base-Base interactions energy: -33.445
where: short stacking energy: -31.605
Base-Backbone interact. energy: -1.450
local terms energy: -47.824879
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -16.553
flat angles P-C4'-P energy: -3.937
tors. eta vs tors. theta energy: 0.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -261.690685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.690685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.690685 (E_RNA)
where:
Base-Base interactions energy: -173.533
where: short stacking energy: -87.098
Base-Backbone interact. energy: -0.002
local terms energy: -88.155595
where:
bonds (distance) C4'-P energy: -18.658
bonds (distance) P-C4' energy: -16.461
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -13.196
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: 6
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -254.324915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.324915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.324915 (E_RNA)
where:
Base-Base interactions energy: -166.619
where: short stacking energy: -78.641
Base-Backbone interact. energy: -0.212
local terms energy: -87.494418
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -15.193
flat angles C4'-P-C4' energy: -17.967
flat angles P-C4'-P energy: -13.179
tors. eta vs tors. theta energy: -24.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -209.777519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.777519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.777519 (E_RNA)
where:
Base-Base interactions energy: -132.423
where: short stacking energy: -66.818
Base-Backbone interact. energy: -0.307
local terms energy: -77.047588
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -10.378
flat angles C4'-P-C4' energy: -19.159
flat angles P-C4'-P energy: -12.819
tors. eta vs tors. theta energy: -21.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -200.092656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.092656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.092656 (E_RNA)
where:
Base-Base interactions energy: -125.573
where: short stacking energy: -67.990
Base-Backbone interact. energy: -0.253
local terms energy: -74.267111
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -21.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -194.984333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.984333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.984333 (E_RNA)
where:
Base-Base interactions energy: -121.586
where: short stacking energy: -57.570
Base-Backbone interact. energy: -0.475
local terms energy: -72.922979
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -19.581
flat angles C4'-P-C4' energy: -17.155
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -11.736
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: 2
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -102.864311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.864311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.864311 (E_RNA)
where:
Base-Base interactions energy: -44.071
where: short stacking energy: -21.033
Base-Backbone interact. energy: 0.074
local terms energy: -58.866792
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -16.929
flat angles P-C4'-P energy: -7.659
tors. eta vs tors. theta energy: -5.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -87.835563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.835563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.835563 (E_RNA)
where:
Base-Base interactions energy: -36.892
where: short stacking energy: -36.892
Base-Backbone interact. energy: 2.455
local terms energy: -53.399123
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -18.158
flat angles C4'-P-C4' energy: -11.833
flat angles P-C4'-P energy: -9.873
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: 8, replica: 7
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -100.645124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.645124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.645124 (E_RNA)
where:
Base-Base interactions energy: -40.101
where: short stacking energy: -25.640
Base-Backbone interact. energy: -0.668
local terms energy: -59.876123
where:
bonds (distance) C4'-P energy: -15.309
bonds (distance) P-C4' energy: -13.040
flat angles C4'-P-C4' energy: -13.854
flat angles P-C4'-P energy: -13.151
tors. eta vs tors. theta energy: -4.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -89.890167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.890167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.890167 (E_RNA)
where:
Base-Base interactions energy: -35.187
where: short stacking energy: -31.347
Base-Backbone interact. energy: -0.619
local terms energy: -54.084411
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -13.199
flat angles C4'-P-C4' energy: -13.411
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -3.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -79.229940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.229940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.229940 (E_RNA)
where:
Base-Base interactions energy: -34.021
where: short stacking energy: -30.254
Base-Backbone interact. energy: -0.272
local terms energy: -44.937123
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -12.387
flat angles P-C4'-P energy: -3.123
tors. eta vs tors. theta energy: 2.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -263.519812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.519812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.519812 (E_RNA)
where:
Base-Base interactions energy: -170.399
where: short stacking energy: -72.797
Base-Backbone interact. energy: -0.282
local terms energy: -92.838041
where:
bonds (distance) C4'-P energy: -20.168
bonds (distance) P-C4' energy: -17.261
flat angles C4'-P-C4' energy: -18.130
flat angles P-C4'-P energy: -14.449
tors. eta vs tors. theta energy: -22.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -248.029946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.029946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.029946 (E_RNA)
where:
Base-Base interactions energy: -164.907
where: short stacking energy: -83.676
Base-Backbone interact. energy: -0.237
local terms energy: -82.886183
where:
bonds (distance) C4'-P energy: -16.959
bonds (distance) P-C4' energy: -17.832
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -9.811
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: 3, replica: 1
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -196.963765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.963765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.963765 (E_RNA)
where:
Base-Base interactions energy: -118.722
where: short stacking energy: -56.917
Base-Backbone interact. energy: -0.102
local terms energy: -78.140114
where:
bonds (distance) C4'-P energy: -20.421
bonds (distance) P-C4' energy: -19.552
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -13.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -213.816027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.816027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.816027 (E_RNA)
where:
Base-Base interactions energy: -125.770
where: short stacking energy: -66.369
Base-Backbone interact. energy: -0.488
local terms energy: -87.557945
where:
bonds (distance) C4'-P energy: -17.236
bonds (distance) P-C4' energy: -18.781
flat angles C4'-P-C4' energy: -19.049
flat angles P-C4'-P energy: -11.645
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: 10
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -203.676182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.676182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.676182 (E_RNA)
where:
Base-Base interactions energy: -123.208
where: short stacking energy: -60.706
Base-Backbone interact. energy: -0.797
local terms energy: -79.670893
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -17.733
flat angles P-C4'-P energy: -11.850
tors. eta vs tors. theta energy: -15.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -96.953478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.953478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.953478 (E_RNA)
where:
Base-Base interactions energy: -34.245
where: short stacking energy: -33.869
Base-Backbone interact. energy: -0.103
local terms energy: -62.606240
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -18.986
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -2.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -169.919798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.919798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.919798 (E_RNA)
where:
Base-Base interactions energy: -103.838
where: short stacking energy: -52.179
Base-Backbone interact. energy: -0.108
local terms energy: -65.974098
where:
bonds (distance) C4'-P energy: -18.694
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -6.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -87.644128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.644128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.644128 (E_RNA)
where:
Base-Base interactions energy: -22.505
where: short stacking energy: -20.939
Base-Backbone interact. energy: -0.143
local terms energy: -64.996056
where:
bonds (distance) C4'-P energy: -17.042
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -19.197
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: -3.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -110.099191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.099191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.099191 (E_RNA)
where:
Base-Base interactions energy: -56.049
where: short stacking energy: -23.502
Base-Backbone interact. energy: -0.272
local terms energy: -53.778195
where:
bonds (distance) C4'-P energy: -15.855
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -13.368
flat angles P-C4'-P energy: -6.740
tors. eta vs tors. theta energy: 0.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -80.172247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.172247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.172247 (E_RNA)
where:
Base-Base interactions energy: -35.285
where: short stacking energy: -35.285
Base-Backbone interact. energy: -0.104
local terms energy: -44.783290
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -11.011
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -5.360
tors. eta vs tors. theta energy: 1.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -266.303350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.303350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.303350 (E_RNA)
where:
Base-Base interactions energy: -165.323
where: short stacking energy: -81.207
Base-Backbone interact. energy: -1.969
local terms energy: -99.011624
where:
bonds (distance) C4'-P energy: -17.604
bonds (distance) P-C4' energy: -20.383
flat angles C4'-P-C4' energy: -18.754
flat angles P-C4'-P energy: -13.802
tors. eta vs tors. theta energy: -28.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -261.339512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.339512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.339512 (E_RNA)
where:
Base-Base interactions energy: -164.609
where: short stacking energy: -83.623
Base-Backbone interact. energy: -0.006
local terms energy: -96.725242
where:
bonds (distance) C4'-P energy: -17.904
bonds (distance) P-C4' energy: -18.710
flat angles C4'-P-C4' energy: -19.694
flat angles P-C4'-P energy: -15.289
tors. eta vs tors. theta energy: -25.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -199.438206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.438206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.438206 (E_RNA)
where:
Base-Base interactions energy: -123.748
where: short stacking energy: -64.149
Base-Backbone interact. energy: -0.125
local terms energy: -75.564473
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -16.440
flat angles C4'-P-C4' energy: -18.512
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -14.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -200.820057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.820057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.820057 (E_RNA)
where:
Base-Base interactions energy: -122.788
where: short stacking energy: -65.404
Base-Backbone interact. energy: -0.732
local terms energy: -77.300172
where:
bonds (distance) C4'-P energy: -16.356
bonds (distance) P-C4' energy: -20.431
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -16.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -190.428187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.428187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.428187 (E_RNA)
where:
Base-Base interactions energy: -118.961
where: short stacking energy: -48.962
Base-Backbone interact. energy: -0.267
local terms energy: -71.200523
where:
bonds (distance) C4'-P energy: -13.380
bonds (distance) P-C4' energy: -18.098
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -13.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -160.597401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.597401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.597401 (E_RNA)
where:
Base-Base interactions energy: -90.439
where: short stacking energy: -47.403
Base-Backbone interact. energy: -0.028
local terms energy: -70.130355
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -12.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -99.203863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.203863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.203863 (E_RNA)
where:
Base-Base interactions energy: -48.301
where: short stacking energy: -33.180
Base-Backbone interact. energy: -0.190
local terms energy: -50.713114
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -12.551
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -5.944
tors. eta vs tors. theta energy: -2.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -104.759131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.759131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.759131 (E_RNA)
where:
Base-Base interactions energy: -43.889
where: short stacking energy: -34.807
Base-Backbone interact. energy: -0.045
local terms energy: -60.825240
where:
bonds (distance) C4'-P energy: -17.874
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -5.390
tors. eta vs tors. theta energy: -4.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -84.616926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.616926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.616926 (E_RNA)
where:
Base-Base interactions energy: -36.048
where: short stacking energy: -32.015
Base-Backbone interact. energy: -0.253
local terms energy: -48.315896
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -13.213
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -5.628
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: 10, replica: 3
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -86.970181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.970181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.970181 (E_RNA)
where:
Base-Base interactions energy: -32.262
where: short stacking energy: -25.863
Base-Backbone interact. energy: -0.258
local terms energy: -54.450304
where:
bonds (distance) C4'-P energy: -10.835
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: 0.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -257.503035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.503035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.503035 (E_RNA)
where:
Base-Base interactions energy: -165.712
where: short stacking energy: -77.885
Base-Backbone interact. energy: -0.294
local terms energy: -91.496183
where:
bonds (distance) C4'-P energy: -19.031
bonds (distance) P-C4' energy: -14.661
flat angles C4'-P-C4' energy: -17.760
flat angles P-C4'-P energy: -13.350
tors. eta vs tors. theta energy: -26.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -255.741388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.741388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.741388 (E_RNA)
where:
Base-Base interactions energy: -165.340
where: short stacking energy: -82.181
Base-Backbone interact. energy: -0.103
local terms energy: -90.298278
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -18.374
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -13.891
tors. eta vs tors. theta energy: -26.831
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: 5
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -204.737426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.737426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.737426 (E_RNA)
where:
Base-Base interactions energy: -126.125
where: short stacking energy: -64.037
Base-Backbone interact. energy: 0.180
local terms energy: -78.792483
where:
bonds (distance) C4'-P energy: -17.026
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -14.075
tors. eta vs tors. theta energy: -14.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -202.846032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.846032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.846032 (E_RNA)
where:
Base-Base interactions energy: -130.038
where: short stacking energy: -74.045
Base-Backbone interact. energy: -0.065
local terms energy: -72.743120
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -18.542
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: 7
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -187.679969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.679969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.679969 (E_RNA)
where:
Base-Base interactions energy: -110.500
where: short stacking energy: -61.441
Base-Backbone interact. energy: -0.059
local terms energy: -77.121560
where:
bonds (distance) C4'-P energy: -18.233
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -17.592
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -13.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -183.590236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.590236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.590236 (E_RNA)
where:
Base-Base interactions energy: -110.379
where: short stacking energy: -50.474
Base-Backbone interact. energy: -0.251
local terms energy: -72.960282
where:
bonds (distance) C4'-P energy: -17.804
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -14.006
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -14.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -103.641528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.641528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.641528 (E_RNA)
where:
Base-Base interactions energy: -44.226
where: short stacking energy: -27.281
Base-Backbone interact. energy: -0.333
local terms energy: -59.081805
where:
bonds (distance) C4'-P energy: -18.363
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -9.708
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -7.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -89.813559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.813559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.813559 (E_RNA)
where:
Base-Base interactions energy: -32.344
where: short stacking energy: -32.344
Base-Backbone interact. energy: -0.133
local terms energy: -57.336554
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -4.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -100.715185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.715185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.715185 (E_RNA)
where:
Base-Base interactions energy: -39.390
where: short stacking energy: -16.303
Base-Backbone interact. energy: -0.824
local terms energy: -60.501022
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -17.909
flat angles C4'-P-C4' energy: -17.860
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: 0.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -94.958071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.958071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.958071 (E_RNA)
where:
Base-Base interactions energy: -39.089
where: short stacking energy: -28.258
Base-Backbone interact. energy: -0.154
local terms energy: -55.715094
where:
bonds (distance) C4'-P energy: -15.913
bonds (distance) P-C4' energy: -12.307
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -6.025
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: 1, replica: 9
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -257.704631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.704631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.704631 (E_RNA)
where:
Base-Base interactions energy: -169.940
where: short stacking energy: -76.147
Base-Backbone interact. energy: -1.949
local terms energy: -85.815408
where:
bonds (distance) C4'-P energy: -18.135
bonds (distance) P-C4' energy: -17.956
flat angles C4'-P-C4' energy: -18.878
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: -22.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -254.720242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.720242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.720242 (E_RNA)
where:
Base-Base interactions energy: -163.007
where: short stacking energy: -80.321
Base-Backbone interact. energy: -0.000
local terms energy: -91.712545
where:
bonds (distance) C4'-P energy: -17.250
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -18.444
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -26.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -215.134952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.134952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.134952 (E_RNA)
where:
Base-Base interactions energy: -132.766
where: short stacking energy: -69.547
Base-Backbone interact. energy: -0.146
local terms energy: -82.222692
where:
bonds (distance) C4'-P energy: -12.156
bonds (distance) P-C4' energy: -20.631
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -15.067
tors. eta vs tors. theta energy: -19.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -188.384656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.384656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.384656 (E_RNA)
where:
Base-Base interactions energy: -118.373
where: short stacking energy: -61.372
Base-Backbone interact. energy: -0.321
local terms energy: -69.690061
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -16.278
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -12.562
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: 1
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -209.815793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.815793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.815793 (E_RNA)
where:
Base-Base interactions energy: -126.756
where: short stacking energy: -59.994
Base-Backbone interact. energy: -0.024
local terms energy: -83.035596
where:
bonds (distance) C4'-P energy: -18.019
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -18.360
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -16.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -192.423300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.423300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.423300 (E_RNA)
where:
Base-Base interactions energy: -112.002
where: short stacking energy: -55.428
Base-Backbone interact. energy: -0.112
local terms energy: -80.309382
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -14.513
tors. eta vs tors. theta energy: -15.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -102.388940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.388940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.388940 (E_RNA)
where:
Base-Base interactions energy: -37.576
where: short stacking energy: -35.279
Base-Backbone interact. energy: -0.082
local terms energy: -64.731148
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -19.651
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -7.480
tors. eta vs tors. theta energy: -7.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -112.832754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.832754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.832754 (E_RNA)
where:
Base-Base interactions energy: -52.307
where: short stacking energy: -37.188
Base-Backbone interact. energy: -0.505
local terms energy: -60.020842
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -6.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -86.381176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.381176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.381176 (E_RNA)
where:
Base-Base interactions energy: -32.912
where: short stacking energy: -28.911
Base-Backbone interact. energy: -0.183
local terms energy: -53.286335
where:
bonds (distance) C4'-P energy: -10.590
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -13.165
flat angles P-C4'-P energy: -7.321
tors. eta vs tors. theta energy: -6.917
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: 4
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -76.756026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.756026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.756026 (E_RNA)
where:
Base-Base interactions energy: -21.575
where: short stacking energy: -20.865
Base-Backbone interact. energy: -0.694
local terms energy: -54.486848
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -19.337
flat angles C4'-P-C4' energy: -9.371
flat angles P-C4'-P energy: -7.252
tors. eta vs tors. theta energy: -4.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -262.555324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.555324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.555324 (E_RNA)
where:
Base-Base interactions energy: -168.253
where: short stacking energy: -79.979
Base-Backbone interact. energy: -0.050
local terms energy: -94.252307
where:
bonds (distance) C4'-P energy: -17.982
bonds (distance) P-C4' energy: -17.694
flat angles C4'-P-C4' energy: -18.278
flat angles P-C4'-P energy: -14.345
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: 2, replica: 9
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -257.607655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.607655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.607655 (E_RNA)
where:
Base-Base interactions energy: -167.204
where: short stacking energy: -82.241
Base-Backbone interact. energy: 1.011
local terms energy: -91.413758
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -18.822
flat angles C4'-P-C4' energy: -16.816
flat angles P-C4'-P energy: -14.640
tors. eta vs tors. theta energy: -24.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -202.000711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.000711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.000711 (E_RNA)
where:
Base-Base interactions energy: -130.309
where: short stacking energy: -63.766
Base-Backbone interact. energy: -0.009
local terms energy: -71.682793
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -17.292
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -17.343
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: 4, replica: 7
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -184.490186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.490186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.490186 (E_RNA)
where:
Base-Base interactions energy: -104.724
where: short stacking energy: -63.635
Base-Backbone interact. energy: 0.849
local terms energy: -80.615020
where:
bonds (distance) C4'-P energy: -17.841
bonds (distance) P-C4' energy: -18.531
flat angles C4'-P-C4' energy: -18.720
flat angles P-C4'-P energy: -8.108
tors. eta vs tors. theta energy: -17.415
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: 324
Temperature: 1.100000
Total energy: -202.404422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.404422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.404422 (E_RNA)
where:
Base-Base interactions energy: -123.892
where: short stacking energy: -56.516
Base-Backbone interact. energy: -0.541
local terms energy: -77.971400
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -19.015
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -11.941
tors. eta vs tors. theta energy: -15.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -184.179822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.179822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.179822 (E_RNA)
where:
Base-Base interactions energy: -110.043
where: short stacking energy: -53.894
Base-Backbone interact. energy: -0.787
local terms energy: -73.350092
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -19.086
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -14.806
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: 3
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -95.654158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.654158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.654158 (E_RNA)
where:
Base-Base interactions energy: -32.384
where: short stacking energy: -32.384
Base-Backbone interact. energy: -0.194
local terms energy: -63.076672
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -17.766
flat angles C4'-P-C4' energy: -15.174
flat angles P-C4'-P energy: -6.609
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: 2
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -94.191996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.191996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.191996 (E_RNA)
where:
Base-Base interactions energy: -44.375
where: short stacking energy: -24.204
Base-Backbone interact. energy: 0.932
local terms energy: -50.749574
where:
bonds (distance) C4'-P energy: -12.431
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -11.057
flat angles P-C4'-P energy: -7.030
tors. eta vs tors. theta energy: -3.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -91.423058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.423058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.423058 (E_RNA)
where:
Base-Base interactions energy: -49.581
where: short stacking energy: -21.563
Base-Backbone interact. energy: -0.294
local terms energy: -41.548070
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: 0.636
tors. eta vs tors. theta energy: -1.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -79.980764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.980764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.980764 (E_RNA)
where:
Base-Base interactions energy: -30.035
where: short stacking energy: -21.543
Base-Backbone interact. energy: -1.168
local terms energy: -48.778570
where:
bonds (distance) C4'-P energy: -18.367
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -10.352
flat angles P-C4'-P energy: -7.246
tors. eta vs tors. theta energy: 4.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -254.124755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.124755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.124755 (E_RNA)
where:
Base-Base interactions energy: -170.402
where: short stacking energy: -72.039
Base-Backbone interact. energy: -0.626
local terms energy: -83.096818
where:
bonds (distance) C4'-P energy: -17.382
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -18.223
flat angles P-C4'-P energy: -12.579
tors. eta vs tors. theta energy: -18.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -212.537497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.537497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.537497 (E_RNA)
where:
Base-Base interactions energy: -125.454
where: short stacking energy: -67.499
Base-Backbone interact. energy: 0.889
local terms energy: -87.972115
where:
bonds (distance) C4'-P energy: -17.398
bonds (distance) P-C4' energy: -20.215
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -13.898
tors. eta vs tors. theta energy: -19.940
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: 9
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -249.165228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.165228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.165228 (E_RNA)
where:
Base-Base interactions energy: -157.735
where: short stacking energy: -76.145
Base-Backbone interact. energy: -0.099
local terms energy: -91.331419
where:
bonds (distance) C4'-P energy: -19.741
bonds (distance) P-C4' energy: -19.038
flat angles C4'-P-C4' energy: -18.437
flat angles P-C4'-P energy: -12.444
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: 1
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -195.196380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.196380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.196380 (E_RNA)
where:
Base-Base interactions energy: -113.933
where: short stacking energy: -55.183
Base-Backbone interact. energy: -0.007
local terms energy: -81.256541
where:
bonds (distance) C4'-P energy: -18.922
bonds (distance) P-C4' energy: -18.263
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -12.742
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: 5, replica: 7
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -187.243056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.243056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.243056 (E_RNA)
where:
Base-Base interactions energy: -109.189
where: short stacking energy: -58.835
Base-Backbone interact. energy: -0.124
local terms energy: -77.929603
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -18.088
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -9.905
tors. eta vs tors. theta energy: -19.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -182.237971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.237971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.237971 (E_RNA)
where:
Base-Base interactions energy: -105.942
where: short stacking energy: -57.040
Base-Backbone interact. energy: -1.316
local terms energy: -74.979913
where:
bonds (distance) C4'-P energy: -18.789
bonds (distance) P-C4' energy: -10.447
flat angles C4'-P-C4' energy: -17.168
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: -16.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -96.777712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.777712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.777712 (E_RNA)
where:
Base-Base interactions energy: -29.369
where: short stacking energy: -29.769
Base-Backbone interact. energy: 1.732
local terms energy: -69.140794
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -19.034
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -3.669
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: 4
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -85.025371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.025371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.025371 (E_RNA)
where:
Base-Base interactions energy: -28.750
where: short stacking energy: -28.306
Base-Backbone interact. energy: -0.105
local terms energy: -56.170031
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -16.218
flat angles C4'-P-C4' energy: -17.499
flat angles P-C4'-P energy: -3.303
tors. eta vs tors. theta energy: -6.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -95.008872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.008872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.008872 (E_RNA)
where:
Base-Base interactions energy: -35.689
where: short stacking energy: -27.103
Base-Backbone interact. energy: -0.034
local terms energy: -59.286231
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -12.272
flat angles C4'-P-C4' energy: -16.737
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: -4.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -98.836325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.836325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.836325 (E_RNA)
where:
Base-Base interactions energy: -51.362
where: short stacking energy: -28.778
Base-Backbone interact. energy: 1.601
local terms energy: -49.075478
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -11.195
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -1.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -254.657724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.657724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.657724 (E_RNA)
where:
Base-Base interactions energy: -166.784
where: short stacking energy: -81.533
Base-Backbone interact. energy: -0.004
local terms energy: -87.869986
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -13.407
flat angles C4'-P-C4' energy: -18.658
flat angles P-C4'-P energy: -15.362
tors. eta vs tors. theta energy: -23.790
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: 2, replica: 5
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -204.846262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.846262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.846262 (E_RNA)
where:
Base-Base interactions energy: -127.601
where: short stacking energy: -65.995
Base-Backbone interact. energy: -0.390
local terms energy: -76.855658
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -18.130
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -10.777
tors. eta vs tors. theta energy: -16.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -243.105676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.105676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.105676 (E_RNA)
where:
Base-Base interactions energy: -161.161
where: short stacking energy: -72.838
Base-Backbone interact. energy: -0.390
local terms energy: -81.554685
where:
bonds (distance) C4'-P energy: -17.817
bonds (distance) P-C4' energy: -16.940
flat angles C4'-P-C4' energy: -17.843
flat angles P-C4'-P energy: -4.176
tors. eta vs tors. theta energy: -24.779
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: 1
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -181.982420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.982420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.982420 (E_RNA)
where:
Base-Base interactions energy: -113.795
where: short stacking energy: -54.662
Base-Backbone interact. energy: -0.011
local terms energy: -68.176127
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -10.011
flat angles C4'-P-C4' energy: -17.444
flat angles P-C4'-P energy: -15.054
tors. eta vs tors. theta energy: -13.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -223.637758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.637758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.637758 (E_RNA)
where:
Base-Base interactions energy: -146.476
where: short stacking energy: -64.817
Base-Backbone interact. energy: -0.005
local terms energy: -77.156316
where:
bonds (distance) C4'-P energy: -16.037
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -18.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -200.465136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.465136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.465136 (E_RNA)
where:
Base-Base interactions energy: -129.298
where: short stacking energy: -56.885
Base-Backbone interact. energy: -0.121
local terms energy: -71.045635
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -6.575
tors. eta vs tors. theta energy: -22.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -116.985887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.985887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.985887 (E_RNA)
where:
Base-Base interactions energy: -54.752
where: short stacking energy: -32.779
Base-Backbone interact. energy: 0.500
local terms energy: -62.733690
where:
bonds (distance) C4'-P energy: -9.818
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -17.066
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -9.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -94.960487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.960487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.960487 (E_RNA)
where:
Base-Base interactions energy: -36.934
where: short stacking energy: -24.724
Base-Backbone interact. energy: 0.199
local terms energy: -58.225250
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -11.760
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -14.295
tors. eta vs tors. theta energy: -1.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -96.499369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.499369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.499369 (E_RNA)
where:
Base-Base interactions energy: -43.924
where: short stacking energy: -26.786
Base-Backbone interact. energy: -0.165
local terms energy: -52.410067
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -19.091
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -6.931
tors. eta vs tors. theta energy: 1.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -80.617526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.617526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.617526 (E_RNA)
where:
Base-Base interactions energy: -31.635
where: short stacking energy: -18.853
Base-Backbone interact. energy: 0.218
local terms energy: -49.200512
where:
bonds (distance) C4'-P energy: -7.760
bonds (distance) P-C4' energy: -19.384
flat angles C4'-P-C4' energy: -6.457
flat angles P-C4'-P energy: -12.746
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: 327
Temperature: 0.900000
Total energy: -254.522468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.522468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.522468 (E_RNA)
where:
Base-Base interactions energy: -163.565
where: short stacking energy: -74.089
Base-Backbone interact. energy: -0.002
local terms energy: -90.955088
where:
bonds (distance) C4'-P energy: -18.988
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -19.643
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -25.029
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: 2, replica: 9
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -247.010869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.010869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.010869 (E_RNA)
where:
Base-Base interactions energy: -162.244
where: short stacking energy: -73.890
Base-Backbone interact. energy: -0.001
local terms energy: -84.765667
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -18.601
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -8.591
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: 3, replica: 5
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -202.004159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.004159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.004159 (E_RNA)
where:
Base-Base interactions energy: -128.034
where: short stacking energy: -64.230
Base-Backbone interact. energy: -0.009
local terms energy: -73.961016
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -16.214
flat angles P-C4'-P energy: -7.533
tors. eta vs tors. theta energy: -19.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -247.766310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.766310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.766310 (E_RNA)
where:
Base-Base interactions energy: -162.356
where: short stacking energy: -75.973
Base-Backbone interact. energy: -1.007
local terms energy: -84.402984
where:
bonds (distance) C4'-P energy: -20.962
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -17.034
flat angles P-C4'-P energy: -12.014
tors. eta vs tors. theta energy: -20.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -194.100785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.100785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.100785 (E_RNA)
where:
Base-Base interactions energy: -117.511
where: short stacking energy: -59.929
Base-Backbone interact. energy: -0.106
local terms energy: -76.483576
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -17.791
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -11.277
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: 6, replica: 10
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -195.053291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.053291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.053291 (E_RNA)
where:
Base-Base interactions energy: -118.769
where: short stacking energy: -59.003
Base-Backbone interact. energy: 0.297
local terms energy: -76.580688
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -7.316
tors. eta vs tors. theta energy: -21.309
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: 327
Temperature: 1.200000
Total energy: -99.355293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.355293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.355293 (E_RNA)
where:
Base-Base interactions energy: -48.541
where: short stacking energy: -29.164
Base-Backbone interact. energy: -0.442
local terms energy: -50.372168
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -3.991
tors. eta vs tors. theta energy: -0.725
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: 2
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -84.614987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.614987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.614987 (E_RNA)
where:
Base-Base interactions energy: -29.489
where: short stacking energy: -25.826
Base-Backbone interact. energy: -0.156
local terms energy: -54.969945
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -13.381
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -2.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -98.409267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.409267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.409267 (E_RNA)
where:
Base-Base interactions energy: -45.723
where: short stacking energy: -33.793
Base-Backbone interact. energy: -0.266
local terms energy: -52.420193
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -5.030
tors. eta vs tors. theta energy: -3.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -86.246716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.246716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.246716 (E_RNA)
where:
Base-Base interactions energy: -37.560
where: short stacking energy: -37.560
Base-Backbone interact. energy: -0.106
local terms energy: -48.580296
where:
bonds (distance) C4'-P energy: -8.200
bonds (distance) P-C4' energy: -8.419
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -8.281
tors. eta vs tors. theta energy: -8.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -252.782261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.782261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.782261 (E_RNA)
where:
Base-Base interactions energy: -167.420
where: short stacking energy: -70.224
Base-Backbone interact. energy: -0.008
local terms energy: -85.353655
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -14.873
flat angles C4'-P-C4' energy: -19.885
flat angles P-C4'-P energy: -11.827
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: 2, replica: 9
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -261.240251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.240251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.240251 (E_RNA)
where:
Base-Base interactions energy: -174.524
where: short stacking energy: -84.252
Base-Backbone interact. energy: -0.010
local terms energy: -86.706673
where:
bonds (distance) C4'-P energy: -10.953
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -19.245
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -27.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -241.052361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.052361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.052361 (E_RNA)
where:
Base-Base interactions energy: -154.641
where: short stacking energy: -71.389
Base-Backbone interact. energy: -0.140
local terms energy: -86.271614
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -17.060
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -22.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -206.640069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.640069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.640069 (E_RNA)
where:
Base-Base interactions energy: -125.435
where: short stacking energy: -70.200
Base-Backbone interact. energy: -0.442
local terms energy: -80.763519
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -15.934
flat angles C4'-P-C4' energy: -18.607
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -22.402
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: 328
Temperature: 1.100000
Total energy: -196.144752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.144752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.144752 (E_RNA)
where:
Base-Base interactions energy: -126.157
where: short stacking energy: -64.630
Base-Backbone interact. energy: -0.203
local terms energy: -69.784427
where:
bonds (distance) C4'-P energy: -10.457
bonds (distance) P-C4' energy: -19.545
flat angles C4'-P-C4' energy: -17.684
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -12.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -186.759132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.759132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.759132 (E_RNA)
where:
Base-Base interactions energy: -114.676
where: short stacking energy: -47.988
Base-Backbone interact. energy: -0.438
local terms energy: -71.645883
where:
bonds (distance) C4'-P energy: -16.355
bonds (distance) P-C4' energy: -19.119
flat angles C4'-P-C4' energy: -15.795
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -12.622
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: 2
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -95.101780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.101780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.101780 (E_RNA)
where:
Base-Base interactions energy: -32.315
where: short stacking energy: -32.315
Base-Backbone interact. energy: -0.181
local terms energy: -62.606378
where:
bonds (distance) C4'-P energy: -11.578
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -17.575
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -7.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -103.242419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.242419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.242419 (E_RNA)
where:
Base-Base interactions energy: -34.481
where: short stacking energy: -34.271
Base-Backbone interact. energy: -0.049
local terms energy: -68.712648
where:
bonds (distance) C4'-P energy: -17.367
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -9.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -100.661107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.661107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.661107 (E_RNA)
where:
Base-Base interactions energy: -49.293
where: short stacking energy: -29.716
Base-Backbone interact. energy: -0.654
local terms energy: -50.714549
where:
bonds (distance) C4'-P energy: -17.944
bonds (distance) P-C4' energy: -9.817
flat angles C4'-P-C4' energy: -18.567
flat angles P-C4'-P energy: -5.969
tors. eta vs tors. theta energy: 1.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -75.438466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.438466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.438466 (E_RNA)
where:
Base-Base interactions energy: -27.195
where: short stacking energy: -21.776
Base-Backbone interact. energy: 1.245
local terms energy: -49.488573
where:
bonds (distance) C4'-P energy: -7.776
bonds (distance) P-C4' energy: -15.334
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -11.889
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: 1, replica: 6
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -256.573733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.573733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.573733 (E_RNA)
where:
Base-Base interactions energy: -171.142
where: short stacking energy: -76.170
Base-Backbone interact. energy: -0.073
local terms energy: -85.358255
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -17.623
flat angles C4'-P-C4' energy: -17.521
flat angles P-C4'-P energy: -15.092
tors. eta vs tors. theta energy: -20.598
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: 7
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -253.165116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.165116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.165116 (E_RNA)
where:
Base-Base interactions energy: -162.523
where: short stacking energy: -73.094
Base-Backbone interact. energy: -0.047
local terms energy: -90.595022
where:
bonds (distance) C4'-P energy: -18.483
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -17.744
flat angles P-C4'-P energy: -12.892
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: 3, replica: 9
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -233.906845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.906845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.906845 (E_RNA)
where:
Base-Base interactions energy: -152.042
where: short stacking energy: -63.610
Base-Backbone interact. energy: -0.512
local terms energy: -81.352027
where:
bonds (distance) C4'-P energy: -18.237
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -18.351
flat angles P-C4'-P energy: -12.986
tors. eta vs tors. theta energy: -17.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -199.794891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.794891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.794891 (E_RNA)
where:
Base-Base interactions energy: -119.583
where: short stacking energy: -60.450
Base-Backbone interact. energy: -0.001
local terms energy: -80.210233
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -13.488
tors. eta vs tors. theta energy: -20.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -193.928668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.928668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.928668 (E_RNA)
where:
Base-Base interactions energy: -118.793
where: short stacking energy: -46.552
Base-Backbone interact. energy: -0.011
local terms energy: -75.125097
where:
bonds (distance) C4'-P energy: -17.526
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -12.516
tors. eta vs tors. theta energy: -13.942
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: 329
Temperature: 1.150000
Total energy: -150.938100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.938100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.938100 (E_RNA)
where:
Base-Base interactions energy: -89.600
where: short stacking energy: -41.013
Base-Backbone interact. energy: 0.305
local terms energy: -61.642463
where:
bonds (distance) C4'-P energy: -17.293
bonds (distance) P-C4' energy: -15.172
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -7.712
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: 7, replica: 2
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -101.667724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.667724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.667724 (E_RNA)
where:
Base-Base interactions energy: -30.710
where: short stacking energy: -29.408
Base-Backbone interact. energy: -1.178
local terms energy: -69.780218
where:
bonds (distance) C4'-P energy: -17.112
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -12.875
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: 8, replica: 8
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -82.129445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.129445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.129445 (E_RNA)
where:
Base-Base interactions energy: -30.339
where: short stacking energy: -19.118
Base-Backbone interact. energy: -0.186
local terms energy: -51.604220
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -7.095
tors. eta vs tors. theta energy: -0.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -84.177294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.177294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.177294 (E_RNA)
where:
Base-Base interactions energy: -35.300
where: short stacking energy: -29.373
Base-Backbone interact. energy: -0.313
local terms energy: -48.564145
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -11.353
flat angles C4'-P-C4' energy: -9.587
flat angles P-C4'-P energy: -7.466
tors. eta vs tors. theta energy: -5.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -81.347564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.347564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.347564 (E_RNA)
where:
Base-Base interactions energy: -19.647
where: short stacking energy: -18.265
Base-Backbone interact. energy: -0.374
local terms energy: -61.326469
where:
bonds (distance) C4'-P energy: -15.573
bonds (distance) P-C4' energy: -20.337
flat angles C4'-P-C4' energy: -15.471
flat angles P-C4'-P energy: -12.676
tors. eta vs tors. theta energy: 2.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -260.220912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.220912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.220912 (E_RNA)
where:
Base-Base interactions energy: -170.578
where: short stacking energy: -83.147
Base-Backbone interact. energy: -1.546
local terms energy: -88.096919
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -17.675
flat angles P-C4'-P energy: -15.425
tors. eta vs tors. theta energy: -23.193
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: 6
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -239.057411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.057411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.057411 (E_RNA)
where:
Base-Base interactions energy: -160.756
where: short stacking energy: -64.542
Base-Backbone interact. energy: -0.353
local terms energy: -77.948733
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -17.901
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -17.288
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: 3, replica: 9
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -228.373650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.373650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.373650 (E_RNA)
where:
Base-Base interactions energy: -149.030
where: short stacking energy: -68.351
Base-Backbone interact. energy: -0.267
local terms energy: -79.076455
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -12.302
flat angles P-C4'-P energy: -13.287
tors. eta vs tors. theta energy: -19.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -201.290142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.290142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.290142 (E_RNA)
where:
Base-Base interactions energy: -113.721
where: short stacking energy: -60.849
Base-Backbone interact. energy: -0.712
local terms energy: -86.857621
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -20.021
flat angles C4'-P-C4' energy: -18.456
flat angles P-C4'-P energy: -14.562
tors. eta vs tors. theta energy: -18.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -205.423682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.423682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.423682 (E_RNA)
where:
Base-Base interactions energy: -120.818
where: short stacking energy: -57.014
Base-Backbone interact. energy: -1.631
local terms energy: -82.974922
where:
bonds (distance) C4'-P energy: -18.144
bonds (distance) P-C4' energy: -17.539
flat angles C4'-P-C4' energy: -19.994
flat angles P-C4'-P energy: -14.561
tors. eta vs tors. theta energy: -12.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -138.775074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.775074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.775074 (E_RNA)
where:
Base-Base interactions energy: -69.705
where: short stacking energy: -42.251
Base-Backbone interact. energy: -0.372
local terms energy: -68.698260
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -10.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -101.731749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.731749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.731749 (E_RNA)
where:
Base-Base interactions energy: -38.745
where: short stacking energy: -28.221
Base-Backbone interact. energy: -0.068
local terms energy: -62.918406
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -19.217
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -3.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -92.453568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.453568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.453568 (E_RNA)
where:
Base-Base interactions energy: -33.519
where: short stacking energy: -33.931
Base-Backbone interact. energy: -0.341
local terms energy: -58.593568
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -13.552
tors. eta vs tors. theta energy: -2.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -93.348869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.348869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.348869 (E_RNA)
where:
Base-Base interactions energy: -39.933
where: short stacking energy: -25.331
Base-Backbone interact. energy: 1.015
local terms energy: -54.431553
where:
bonds (distance) C4'-P energy: -17.841
bonds (distance) P-C4' energy: -11.064
flat angles C4'-P-C4' energy: -12.793
flat angles P-C4'-P energy: -8.752
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: 10, replica: 3
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -85.796227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.796227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.796227 (E_RNA)
where:
Base-Base interactions energy: -37.250
where: short stacking energy: -33.253
Base-Backbone interact. energy: -0.145
local terms energy: -48.401361
where:
bonds (distance) C4'-P energy: -11.002
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -8.886
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -0.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -266.037270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.037270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.037270 (E_RNA)
where:
Base-Base interactions energy: -173.384
where: short stacking energy: -83.584
Base-Backbone interact. energy: -0.002
local terms energy: -92.651521
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -21.885
flat angles P-C4'-P energy: -12.303
tors. eta vs tors. theta energy: -26.119
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: 331
Temperature: 0.950000
Total energy: -242.289365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.289365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.289365 (E_RNA)
where:
Base-Base interactions energy: -161.326
where: short stacking energy: -68.346
Base-Backbone interact. energy: -1.034
local terms energy: -79.928600
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -15.412
flat angles C4'-P-C4' energy: -18.195
flat angles P-C4'-P energy: -14.123
tors. eta vs tors. theta energy: -18.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -231.853851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.853851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.853851 (E_RNA)
where:
Base-Base interactions energy: -154.872
where: short stacking energy: -68.358
Base-Backbone interact. energy: 0.517
local terms energy: -77.499354
where:
bonds (distance) C4'-P energy: -16.807
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -19.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -187.862731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.862731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.862731 (E_RNA)
where:
Base-Base interactions energy: -113.873
where: short stacking energy: -53.180
Base-Backbone interact. energy: -0.237
local terms energy: -73.753306
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -16.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -193.562473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.562473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.562473 (E_RNA)
where:
Base-Base interactions energy: -120.866
where: short stacking energy: -63.515
Base-Backbone interact. energy: -0.125
local terms energy: -72.570974
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -7.199
tors. eta vs tors. theta energy: -21.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -103.730787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.730787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.730787 (E_RNA)
where:
Base-Base interactions energy: -42.993
where: short stacking energy: -42.993
Base-Backbone interact. energy: -0.115
local terms energy: -60.622297
where:
bonds (distance) C4'-P energy: -9.195
bonds (distance) P-C4' energy: -16.301
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -14.724
tors. eta vs tors. theta energy: -5.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -94.180641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.180641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.180641 (E_RNA)
where:
Base-Base interactions energy: -35.771
where: short stacking energy: -28.698
Base-Backbone interact. energy: -0.798
local terms energy: -57.611936
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -19.144
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -7.229
tors. eta vs tors. theta energy: -0.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -116.561049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.561049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.561049 (E_RNA)
where:
Base-Base interactions energy: -56.770
where: short stacking energy: -37.219
Base-Backbone interact. energy: -0.159
local terms energy: -59.631867
where:
bonds (distance) C4'-P energy: -18.050
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -11.165
flat angles P-C4'-P energy: -7.947
tors. eta vs tors. theta energy: -9.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -88.213707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.213707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.213707 (E_RNA)
where:
Base-Base interactions energy: -35.568
where: short stacking energy: -35.568
Base-Backbone interact. energy: 3.166
local terms energy: -55.812074
where:
bonds (distance) C4'-P energy: -17.453
bonds (distance) P-C4' energy: -11.540
flat angles C4'-P-C4' energy: -12.001
flat angles P-C4'-P energy: -10.747
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: 10, replica: 3
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -80.263536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.263536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.263536 (E_RNA)
where:
Base-Base interactions energy: -28.898
where: short stacking energy: -26.770
Base-Backbone interact. energy: -0.007
local terms energy: -51.358817
where:
bonds (distance) C4'-P energy: -10.405
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -12.570
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -2.502
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: 1, replica: 7
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -261.983223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.983223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.983223 (E_RNA)
where:
Base-Base interactions energy: -167.855
where: short stacking energy: -85.222
Base-Backbone interact. energy: -0.013
local terms energy: -94.115510
where:
bonds (distance) C4'-P energy: -16.408
bonds (distance) P-C4' energy: -18.050
flat angles C4'-P-C4' energy: -20.874
flat angles P-C4'-P energy: -13.690
tors. eta vs tors. theta energy: -25.094
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: 332
Temperature: 0.950000
Total energy: -246.706959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.706959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.706959 (E_RNA)
where:
Base-Base interactions energy: -170.141
where: short stacking energy: -73.287
Base-Backbone interact. energy: -0.166
local terms energy: -76.400247
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -18.995
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -18.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -240.665645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.665645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.665645 (E_RNA)
where:
Base-Base interactions energy: -157.928
where: short stacking energy: -68.460
Base-Backbone interact. energy: -0.205
local terms energy: -82.531910
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -16.806
flat angles C4'-P-C4' energy: -18.647
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -18.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -195.946941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.946941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.946941 (E_RNA)
where:
Base-Base interactions energy: -115.812
where: short stacking energy: -59.095
Base-Backbone interact. energy: -0.062
local terms energy: -80.072599
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -20.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -217.985491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.985491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.985491 (E_RNA)
where:
Base-Base interactions energy: -136.835
where: short stacking energy: -66.777
Base-Backbone interact. energy: -0.098
local terms energy: -81.052529
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -17.768
flat angles P-C4'-P energy: -11.779
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: 6, replica: 2
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -107.651916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.651916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.651916 (E_RNA)
where:
Base-Base interactions energy: -43.877
where: short stacking energy: -43.380
Base-Backbone interact. energy: -0.303
local terms energy: -63.472235
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -5.854
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: 4
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -111.767645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.767645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.767645 (E_RNA)
where:
Base-Base interactions energy: -52.633
where: short stacking energy: -33.675
Base-Backbone interact. energy: -0.007
local terms energy: -59.127995
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -20.864
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -4.004
tors. eta vs tors. theta energy: -5.217
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: 10
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -87.220190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.220190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.220190 (E_RNA)
where:
Base-Base interactions energy: -32.915
where: short stacking energy: -21.966
Base-Backbone interact. energy: -0.127
local terms energy: -54.178122
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -18.252
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: 2.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -95.810279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.810279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.810279 (E_RNA)
where:
Base-Base interactions energy: -41.851
where: short stacking energy: -32.152
Base-Backbone interact. energy: -0.091
local terms energy: -53.867909
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: 1.809
tors. eta vs tors. theta energy: -7.070
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: 3
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -78.317290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.317290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.317290 (E_RNA)
where:
Base-Base interactions energy: -19.340
where: short stacking energy: -14.768
Base-Backbone interact. energy: -0.833
local terms energy: -58.143524
where:
bonds (distance) C4'-P energy: -14.324
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -10.857
tors. eta vs tors. theta energy: -2.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -260.268428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.268428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.268428 (E_RNA)
where:
Base-Base interactions energy: -169.997
where: short stacking energy: -83.092
Base-Backbone interact. energy: 0.009
local terms energy: -90.280315
where:
bonds (distance) C4'-P energy: -13.803
bonds (distance) P-C4' energy: -20.309
flat angles C4'-P-C4' energy: -17.731
flat angles P-C4'-P energy: -13.431
tors. eta vs tors. theta energy: -25.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -255.552740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.552740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.552740 (E_RNA)
where:
Base-Base interactions energy: -168.846
where: short stacking energy: -76.604
Base-Backbone interact. energy: -0.134
local terms energy: -86.573214
where:
bonds (distance) C4'-P energy: -18.202
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -17.685
flat angles P-C4'-P energy: -16.176
tors. eta vs tors. theta energy: -20.409
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: 9
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -244.087948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.087948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.087948 (E_RNA)
where:
Base-Base interactions energy: -159.459
where: short stacking energy: -70.161
Base-Backbone interact. energy: -0.389
local terms energy: -84.239646
where:
bonds (distance) C4'-P energy: -19.766
bonds (distance) P-C4' energy: -15.838
flat angles C4'-P-C4' energy: -18.276
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -19.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -209.257362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.257362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.257362 (E_RNA)
where:
Base-Base interactions energy: -133.259
where: short stacking energy: -72.720
Base-Backbone interact. energy: -0.548
local terms energy: -75.450741
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -19.307
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -2.409
tors. eta vs tors. theta energy: -21.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -192.606669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.606669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.606669 (E_RNA)
where:
Base-Base interactions energy: -124.354
where: short stacking energy: -63.499
Base-Backbone interact. energy: -0.250
local terms energy: -68.003123
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -17.374
flat angles P-C4'-P energy: -7.356
tors. eta vs tors. theta energy: -13.244
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: 4
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -119.603996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.603996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.603996 (E_RNA)
where:
Base-Base interactions energy: -57.227
where: short stacking energy: -30.016
Base-Backbone interact. energy: -0.306
local terms energy: -62.070720
where:
bonds (distance) C4'-P energy: -11.225
bonds (distance) P-C4' energy: -20.116
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -12.747
tors. eta vs tors. theta energy: -2.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -105.740675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.740675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.740675 (E_RNA)
where:
Base-Base interactions energy: -43.101
where: short stacking energy: -43.101
Base-Backbone interact. energy: -0.016
local terms energy: -62.623959
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -13.692
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -14.357
tors. eta vs tors. theta energy: -4.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -102.151512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.151512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.151512 (E_RNA)
where:
Base-Base interactions energy: -41.310
where: short stacking energy: -41.310
Base-Backbone interact. energy: -0.258
local terms energy: -60.583200
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -18.714
flat angles C4'-P-C4' energy: -14.435
flat angles P-C4'-P energy: -5.513
tors. eta vs tors. theta energy: -8.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -86.750099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.750099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.750099 (E_RNA)
where:
Base-Base interactions energy: -29.011
where: short stacking energy: -22.622
Base-Backbone interact. energy: -0.173
local terms energy: -57.566232
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -17.045
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -0.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -80.166166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.166166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.166166 (E_RNA)
where:
Base-Base interactions energy: -30.784
where: short stacking energy: -21.731
Base-Backbone interact. energy: -0.194
local terms energy: -49.187979
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -11.272
flat angles P-C4'-P energy: -6.498
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: 334
Temperature: 0.900000
Total energy: -255.462263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.462263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.462263 (E_RNA)
where:
Base-Base interactions energy: -170.155
where: short stacking energy: -78.213
Base-Backbone interact. energy: -0.045
local terms energy: -85.262455
where:
bonds (distance) C4'-P energy: -18.384
bonds (distance) P-C4' energy: -16.165
flat angles C4'-P-C4' energy: -18.043
flat angles P-C4'-P energy: -10.205
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: 2, replica: 7
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -258.624303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.624303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.624303 (E_RNA)
where:
Base-Base interactions energy: -170.318
where: short stacking energy: -84.679
Base-Backbone interact. energy: -0.059
local terms energy: -88.247961
where:
bonds (distance) C4'-P energy: -17.897
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -18.254
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -24.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -246.266655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.266655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.266655 (E_RNA)
where:
Base-Base interactions energy: -161.871
where: short stacking energy: -70.763
Base-Backbone interact. energy: -0.695
local terms energy: -83.700838
where:
bonds (distance) C4'-P energy: -16.976
bonds (distance) P-C4' energy: -17.176
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -12.063
tors. eta vs tors. theta energy: -21.334
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: 5
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -191.943667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.943667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.943667 (E_RNA)
where:
Base-Base interactions energy: -116.192
where: short stacking energy: -53.147
Base-Backbone interact. energy: -0.147
local terms energy: -75.604956
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -18.567
flat angles P-C4'-P energy: -14.793
tors. eta vs tors. theta energy: -12.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -199.148642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.148642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.148642 (E_RNA)
where:
Base-Base interactions energy: -123.095
where: short stacking energy: -59.799
Base-Backbone interact. energy: -0.111
local terms energy: -75.942803
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -19.545
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -13.817
tors. eta vs tors. theta energy: -15.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -102.997666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.997666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.997666 (E_RNA)
where:
Base-Base interactions energy: -41.646
where: short stacking energy: -29.771
Base-Backbone interact. energy: -0.162
local terms energy: -61.189525
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -14.421
flat angles C4'-P-C4' energy: -19.161
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -0.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -89.750998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.750998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.750998 (E_RNA)
where:
Base-Base interactions energy: -36.809
where: short stacking energy: -26.581
Base-Backbone interact. energy: -0.340
local terms energy: -52.601758
where:
bonds (distance) C4'-P energy: -17.373
bonds (distance) P-C4' energy: -11.850
flat angles C4'-P-C4' energy: -18.067
flat angles P-C4'-P energy: -8.239
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: 8, replica: 2
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -98.795659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.795659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.795659 (E_RNA)
where:
Base-Base interactions energy: -45.617
where: short stacking energy: -24.984
Base-Backbone interact. energy: -0.611
local terms energy: -52.567304
where:
bonds (distance) C4'-P energy: -18.086
bonds (distance) P-C4' energy: -12.024
flat angles C4'-P-C4' energy: -12.065
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -0.889
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: 3
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -83.122791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.122791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.122791 (E_RNA)
where:
Base-Base interactions energy: -31.668
where: short stacking energy: -25.491
Base-Backbone interact. energy: -0.223
local terms energy: -51.231933
where:
bonds (distance) C4'-P energy: -18.413
bonds (distance) P-C4' energy: -10.985
flat angles C4'-P-C4' energy: -8.293
flat angles P-C4'-P energy: -14.680
tors. eta vs tors. theta energy: 1.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -90.966905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.966905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.966905 (E_RNA)
where:
Base-Base interactions energy: -31.974
where: short stacking energy: -27.913
Base-Backbone interact. energy: -0.074
local terms energy: -58.919205
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -11.632
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: 1, replica: 6
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -257.333409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.333409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.333409 (E_RNA)
where:
Base-Base interactions energy: -172.598
where: short stacking energy: -82.905
Base-Backbone interact. energy: -0.034
local terms energy: -84.701349
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -18.126
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -25.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -260.891880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.891880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.891880 (E_RNA)
where:
Base-Base interactions energy: -168.455
where: short stacking energy: -81.985
Base-Backbone interact. energy: -0.255
local terms energy: -92.181166
where:
bonds (distance) C4'-P energy: -17.854
bonds (distance) P-C4' energy: -13.069
flat angles C4'-P-C4' energy: -19.643
flat angles P-C4'-P energy: -14.617
tors. eta vs tors. theta energy: -26.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -238.983557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.983557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.983557 (E_RNA)
where:
Base-Base interactions energy: -163.340
where: short stacking energy: -79.040
Base-Backbone interact. energy: -0.008
local terms energy: -75.635487
where:
bonds (distance) C4'-P energy: -8.565
bonds (distance) P-C4' energy: -16.987
flat angles C4'-P-C4' energy: -18.118
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: -22.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -196.317848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.317848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.317848 (E_RNA)
where:
Base-Base interactions energy: -117.111
where: short stacking energy: -55.439
Base-Backbone interact. energy: -1.049
local terms energy: -78.158463
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -20.662
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -17.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -192.710982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.710982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.710982 (E_RNA)
where:
Base-Base interactions energy: -116.345
where: short stacking energy: -57.101
Base-Backbone interact. energy: -0.016
local terms energy: -76.349988
where:
bonds (distance) C4'-P energy: -18.889
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -15.224
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: 335
Temperature: 1.150000
Total energy: -99.606604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.606604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.606604 (E_RNA)
where:
Base-Base interactions energy: -41.201
where: short stacking energy: -27.384
Base-Backbone interact. energy: -0.189
local terms energy: -58.217107
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -18.382
flat angles C4'-P-C4' energy: -11.425
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -2.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -114.824700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.824700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.824700 (E_RNA)
where:
Base-Base interactions energy: -60.890
where: short stacking energy: -33.681
Base-Backbone interact. energy: -0.395
local terms energy: -53.540090
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -10.282
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -2.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -98.119465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.119465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.119465 (E_RNA)
where:
Base-Base interactions energy: -35.610
where: short stacking energy: -27.726
Base-Backbone interact. energy: 0.047
local terms energy: -62.556947
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -18.353
flat angles C4'-P-C4' energy: -19.385
flat angles P-C4'-P energy: -4.340
tors. eta vs tors. theta energy: -6.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -89.253126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.253126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.253126 (E_RNA)
where:
Base-Base interactions energy: -31.447
where: short stacking energy: -31.447
Base-Backbone interact. energy: -0.156
local terms energy: -57.650259
where:
bonds (distance) C4'-P energy: -16.346
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: -4.510
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: 8
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -89.137762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.137762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.137762 (E_RNA)
where:
Base-Base interactions energy: -33.464
where: short stacking energy: -32.987
Base-Backbone interact. energy: -0.142
local terms energy: -55.532469
where:
bonds (distance) C4'-P energy: -18.517
bonds (distance) P-C4' energy: -12.087
flat angles C4'-P-C4' energy: -11.153
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -4.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -258.241070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.241070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.241070 (E_RNA)
where:
Base-Base interactions energy: -166.290
where: short stacking energy: -79.217
Base-Backbone interact. energy: 0.543
local terms energy: -92.494156
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -19.234
flat angles C4'-P-C4' energy: -18.178
flat angles P-C4'-P energy: -15.600
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: 6
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -252.886855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.886855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.886855 (E_RNA)
where:
Base-Base interactions energy: -168.420
where: short stacking energy: -72.898
Base-Backbone interact. energy: -0.110
local terms energy: -84.356792
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -18.677
flat angles P-C4'-P energy: -12.284
tors. eta vs tors. theta energy: -20.510
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: 7
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -244.596786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.596786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.596786 (E_RNA)
where:
Base-Base interactions energy: -163.387
where: short stacking energy: -79.046
Base-Backbone interact. energy: -0.114
local terms energy: -81.095730
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -17.776
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -11.813
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: 4, replica: 1
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -191.362820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.362820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.362820 (E_RNA)
where:
Base-Base interactions energy: -122.573
where: short stacking energy: -64.417
Base-Backbone interact. energy: -0.337
local terms energy: -68.453423
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -14.487
flat angles C4'-P-C4' energy: -14.178
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -16.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -192.628301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.628301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.628301 (E_RNA)
where:
Base-Base interactions energy: -116.717
where: short stacking energy: -55.073
Base-Backbone interact. energy: -0.241
local terms energy: -75.670903
where:
bonds (distance) C4'-P energy: -16.596
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -14.552
flat angles P-C4'-P energy: -14.043
tors. eta vs tors. theta energy: -14.915
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: 336
Temperature: 1.150000
Total energy: -104.892942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.892942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.892942 (E_RNA)
where:
Base-Base interactions energy: -43.269
where: short stacking energy: -43.269
Base-Backbone interact. energy: 0.874
local terms energy: -62.497641
where:
bonds (distance) C4'-P energy: -16.939
bonds (distance) P-C4' energy: -9.854
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -8.889
tors. eta vs tors. theta energy: -12.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -98.816282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.816282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.816282 (E_RNA)
where:
Base-Base interactions energy: -37.351
where: short stacking energy: -28.706
Base-Backbone interact. energy: -0.237
local terms energy: -61.228820
where:
bonds (distance) C4'-P energy: -6.552
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -15.466
tors. eta vs tors. theta energy: -5.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -123.904543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.904543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.904543 (E_RNA)
where:
Base-Base interactions energy: -64.814
where: short stacking energy: -40.374
Base-Backbone interact. energy: -0.073
local terms energy: -59.017677
where:
bonds (distance) C4'-P energy: -12.311
bonds (distance) P-C4' energy: -10.775
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -8.438
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: 8
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -83.251384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.251384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.251384 (E_RNA)
where:
Base-Base interactions energy: -33.069
where: short stacking energy: -28.233
Base-Backbone interact. energy: -0.417
local terms energy: -49.765702
where:
bonds (distance) C4'-P energy: -14.825
bonds (distance) P-C4' energy: -15.696
flat angles C4'-P-C4' energy: -8.631
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -2.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -88.160903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.160903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.160903 (E_RNA)
where:
Base-Base interactions energy: -37.276
where: short stacking energy: -36.482
Base-Backbone interact. energy: -0.459
local terms energy: -50.426095
where:
bonds (distance) C4'-P energy: -6.004
bonds (distance) P-C4' energy: -18.166
flat angles C4'-P-C4' energy: -16.969
flat angles P-C4'-P energy: -5.168
tors. eta vs tors. theta energy: -4.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -261.135161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.135161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.135161 (E_RNA)
where:
Base-Base interactions energy: -169.257
where: short stacking energy: -79.450
Base-Backbone interact. energy: -0.131
local terms energy: -91.746762
where:
bonds (distance) C4'-P energy: -16.546
bonds (distance) P-C4' energy: -16.091
flat angles C4'-P-C4' energy: -18.012
flat angles P-C4'-P energy: -16.189
tors. eta vs tors. theta energy: -24.909
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: 7
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -235.116652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.116652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.116652 (E_RNA)
where:
Base-Base interactions energy: -153.934
where: short stacking energy: -64.629
Base-Backbone interact. energy: -0.209
local terms energy: -80.973540
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -19.233
flat angles P-C4'-P energy: -11.043
tors. eta vs tors. theta energy: -17.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -258.005749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.005749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.005749 (E_RNA)
where:
Base-Base interactions energy: -175.425
where: short stacking energy: -77.795
Base-Backbone interact. energy: -0.008
local terms energy: -82.572444
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -11.788
flat angles C4'-P-C4' energy: -18.345
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -25.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -190.054177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.054177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.054177 (E_RNA)
where:
Base-Base interactions energy: -114.350
where: short stacking energy: -54.883
Base-Backbone interact. energy: 0.030
local terms energy: -75.734147
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -19.475
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -16.271
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: 1
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -193.664226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.664226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.664226 (E_RNA)
where:
Base-Base interactions energy: -113.020
where: short stacking energy: -62.097
Base-Backbone interact. energy: -0.062
local terms energy: -80.582356
where:
bonds (distance) C4'-P energy: -17.118
bonds (distance) P-C4' energy: -16.122
flat angles C4'-P-C4' energy: -19.214
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: -18.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -94.869728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.869728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.869728 (E_RNA)
where:
Base-Base interactions energy: -41.352
where: short stacking energy: -24.532
Base-Backbone interact. energy: -0.352
local terms energy: -53.166085
where:
bonds (distance) C4'-P energy: -16.050
bonds (distance) P-C4' energy: -19.229
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -8.079
tors. eta vs tors. theta energy: 3.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -90.877247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.877247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.877247 (E_RNA)
where:
Base-Base interactions energy: -32.826
where: short stacking energy: -22.105
Base-Backbone interact. energy: -0.225
local terms energy: -57.826424
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -18.790
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -9.371
tors. eta vs tors. theta energy: -0.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -92.474032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.474032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.474032 (E_RNA)
where:
Base-Base interactions energy: -26.575
where: short stacking energy: -18.437
Base-Backbone interact. energy: 0.307
local terms energy: -66.206095
where:
bonds (distance) C4'-P energy: -18.901
bonds (distance) P-C4' energy: -18.442
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -12.063
tors. eta vs tors. theta energy: -2.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -95.549949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.549949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.549949 (E_RNA)
where:
Base-Base interactions energy: -39.206
where: short stacking energy: -25.177
Base-Backbone interact. energy: -0.255
local terms energy: -56.088941
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -12.220
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -11.421
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: 10, replica: 2
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -86.824536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.824536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.824536 (E_RNA)
where:
Base-Base interactions energy: -27.741
where: short stacking energy: -25.698
Base-Backbone interact. energy: -0.141
local terms energy: -58.942352
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -13.758
tors. eta vs tors. theta energy: -0.984
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: 9
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -256.937761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.937761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.937761 (E_RNA)
where:
Base-Base interactions energy: -163.942
where: short stacking energy: -79.309
Base-Backbone interact. energy: -0.001
local terms energy: -92.994549
where:
bonds (distance) C4'-P energy: -20.561
bonds (distance) P-C4' energy: -18.230
flat angles C4'-P-C4' energy: -15.879
flat angles P-C4'-P energy: -13.072
tors. eta vs tors. theta energy: -25.252
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: 7
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -253.375421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.375421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.375421 (E_RNA)
where:
Base-Base interactions energy: -169.774
where: short stacking energy: -78.897
Base-Backbone interact. energy: -1.643
local terms energy: -81.958841
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -13.253
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: 3, replica: 6
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -251.438020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.438020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.438020 (E_RNA)
where:
Base-Base interactions energy: -164.986
where: short stacking energy: -79.964
Base-Backbone interact. energy: -0.026
local terms energy: -86.425357
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -18.733
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: -24.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -200.012831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.012831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.012831 (E_RNA)
where:
Base-Base interactions energy: -118.561
where: short stacking energy: -62.906
Base-Backbone interact. energy: -0.373
local terms energy: -81.079426
where:
bonds (distance) C4'-P energy: -17.534
bonds (distance) P-C4' energy: -12.772
flat angles C4'-P-C4' energy: -17.083
flat angles P-C4'-P energy: -14.628
tors. eta vs tors. theta energy: -19.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -196.450091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.450091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.450091 (E_RNA)
where:
Base-Base interactions energy: -115.031
where: short stacking energy: -55.891
Base-Backbone interact. energy: -0.082
local terms energy: -81.336691
where:
bonds (distance) C4'-P energy: -18.061
bonds (distance) P-C4' energy: -19.252
flat angles C4'-P-C4' energy: -17.330
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -16.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -102.666574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.666574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.666574 (E_RNA)
where:
Base-Base interactions energy: -38.454
where: short stacking energy: -33.052
Base-Backbone interact. energy: -0.355
local terms energy: -63.857023
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -6.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -95.869115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.869115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.869115 (E_RNA)
where:
Base-Base interactions energy: -46.126
where: short stacking energy: -41.674
Base-Backbone interact. energy: -1.103
local terms energy: -48.640477
where:
bonds (distance) C4'-P energy: -12.154
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -11.017
flat angles P-C4'-P energy: -5.622
tors. eta vs tors. theta energy: -2.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -81.586672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.586672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.586672 (E_RNA)
where:
Base-Base interactions energy: -18.957
where: short stacking energy: -18.957
Base-Backbone interact. energy: -0.380
local terms energy: -62.248953
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -3.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -94.852041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.852041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.852041 (E_RNA)
where:
Base-Base interactions energy: -38.843
where: short stacking energy: -38.552
Base-Backbone interact. energy: -0.428
local terms energy: -55.580758
where:
bonds (distance) C4'-P energy: -16.530
bonds (distance) P-C4' energy: -12.217
flat angles C4'-P-C4' energy: -12.049
flat angles P-C4'-P energy: -7.971
tors. eta vs tors. theta energy: -6.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -85.635084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.635084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.635084 (E_RNA)
where:
Base-Base interactions energy: -27.331
where: short stacking energy: -24.479
Base-Backbone interact. energy: -0.212
local terms energy: -58.091806
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -18.892
flat angles C4'-P-C4' energy: -17.344
flat angles P-C4'-P energy: -8.073
tors. eta vs tors. theta energy: 1.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -258.903072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.903072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.903072 (E_RNA)
where:
Base-Base interactions energy: -167.067
where: short stacking energy: -83.382
Base-Backbone interact. energy: -0.039
local terms energy: -91.797026
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -20.342
flat angles P-C4'-P energy: -14.107
tors. eta vs tors. theta energy: -27.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -258.430102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.430102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.430102 (E_RNA)
where:
Base-Base interactions energy: -168.156
where: short stacking energy: -75.804
Base-Backbone interact. energy: -0.002
local terms energy: -90.272556
where:
bonds (distance) C4'-P energy: -17.920
bonds (distance) P-C4' energy: -16.748
flat angles C4'-P-C4' energy: -18.752
flat angles P-C4'-P energy: -12.447
tors. eta vs tors. theta energy: -24.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -248.521456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.521456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.521456 (E_RNA)
where:
Base-Base interactions energy: -172.859
where: short stacking energy: -76.742
Base-Backbone interact. energy: -0.091
local terms energy: -75.571161
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -15.059
flat angles C4'-P-C4' energy: -17.765
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: -19.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -202.548423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.548423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.548423 (E_RNA)
where:
Base-Base interactions energy: -127.763
where: short stacking energy: -65.043
Base-Backbone interact. energy: -0.001
local terms energy: -74.784556
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -17.867
flat angles P-C4'-P energy: -6.134
tors. eta vs tors. theta energy: -18.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -189.946739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.946739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.946739 (E_RNA)
where:
Base-Base interactions energy: -118.406
where: short stacking energy: -61.328
Base-Backbone interact. energy: -0.566
local terms energy: -70.974038
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -16.580
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -13.315
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: 8
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -97.473205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.473205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.473205 (E_RNA)
where:
Base-Base interactions energy: -37.401
where: short stacking energy: -33.401
Base-Backbone interact. energy: 0.656
local terms energy: -60.728474
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -7.152
tors. eta vs tors. theta energy: -7.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -157.852855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.852855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.852855 (E_RNA)
where:
Base-Base interactions energy: -93.607
where: short stacking energy: -55.221
Base-Backbone interact. energy: -0.268
local terms energy: -63.977942
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -5.119
tors. eta vs tors. theta energy: -13.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -97.846592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.846592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.846592 (E_RNA)
where:
Base-Base interactions energy: -46.092
where: short stacking energy: -32.281
Base-Backbone interact. energy: -0.563
local terms energy: -51.191305
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -0.932
tors. eta vs tors. theta energy: -5.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -85.856203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.856203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.856203 (E_RNA)
where:
Base-Base interactions energy: -35.172
where: short stacking energy: -22.738
Base-Backbone interact. energy: -0.180
local terms energy: -50.503810
where:
bonds (distance) C4'-P energy: -17.304
bonds (distance) P-C4' energy: -10.747
flat angles C4'-P-C4' energy: -12.314
flat angles P-C4'-P energy: -2.770
tors. eta vs tors. theta energy: -7.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -87.990385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.990385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.990385 (E_RNA)
where:
Base-Base interactions energy: -22.899
where: short stacking energy: -22.899
Base-Backbone interact. energy: -0.058
local terms energy: -65.032634
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -18.675
flat angles C4'-P-C4' energy: -10.709
flat angles P-C4'-P energy: -12.542
tors. eta vs tors. theta energy: -6.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -262.008698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.008698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.008698 (E_RNA)
where:
Base-Base interactions energy: -166.251
where: short stacking energy: -80.233
Base-Backbone interact. energy: -0.016
local terms energy: -95.741670
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -20.520
flat angles P-C4'-P energy: -17.176
tors. eta vs tors. theta energy: -27.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -238.677697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.677697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.677697 (E_RNA)
where:
Base-Base interactions energy: -157.703
where: short stacking energy: -69.068
Base-Backbone interact. energy: -0.125
local terms energy: -80.850260
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -11.566
tors. eta vs tors. theta energy: -20.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -258.076920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.076920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.076920 (E_RNA)
where:
Base-Base interactions energy: -168.080
where: short stacking energy: -79.317
Base-Backbone interact. energy: -0.510
local terms energy: -89.487291
where:
bonds (distance) C4'-P energy: -18.421
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -10.516
tors. eta vs tors. theta energy: -26.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -196.950143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.950143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.950143 (E_RNA)
where:
Base-Base interactions energy: -121.973
where: short stacking energy: -55.290
Base-Backbone interact. energy: -0.163
local terms energy: -74.814568
where:
bonds (distance) C4'-P energy: -18.830
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -11.355
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: 5, replica: 1
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -193.766529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.766529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.766529 (E_RNA)
where:
Base-Base interactions energy: -114.035
where: short stacking energy: -61.424
Base-Backbone interact. energy: -0.084
local terms energy: -79.647332
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -12.833
tors. eta vs tors. theta energy: -22.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -100.993080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.993080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.993080 (E_RNA)
where:
Base-Base interactions energy: -42.749
where: short stacking energy: -31.486
Base-Backbone interact. energy: -0.227
local terms energy: -58.017634
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -10.956
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -1.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -105.091396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.091396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.091396 (E_RNA)
where:
Base-Base interactions energy: -47.266
where: short stacking energy: -45.182
Base-Backbone interact. energy: -0.051
local terms energy: -57.774780
where:
bonds (distance) C4'-P energy: -7.938
bonds (distance) P-C4' energy: -15.855
flat angles C4'-P-C4' energy: -17.768
flat angles P-C4'-P energy: -6.989
tors. eta vs tors. theta energy: -9.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -171.044528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.044528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.044528 (E_RNA)
where:
Base-Base interactions energy: -106.173
where: short stacking energy: -49.242
Base-Backbone interact. energy: -0.210
local terms energy: -64.661185
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -14.121
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -7.426
tors. eta vs tors. theta energy: -17.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -93.142206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.142206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.142206 (E_RNA)
where:
Base-Base interactions energy: -39.044
where: short stacking energy: -25.265
Base-Backbone interact. energy: -0.085
local terms energy: -54.013152
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -16.795
flat angles C4'-P-C4' energy: -9.922
flat angles P-C4'-P energy: -5.979
tors. eta vs tors. theta energy: -5.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -74.872169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.872169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.872169 (E_RNA)
where:
Base-Base interactions energy: -18.502
where: short stacking energy: -15.266
Base-Backbone interact. energy: 0.230
local terms energy: -56.600913
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -18.042
flat angles P-C4'-P energy: -10.479
tors. eta vs tors. theta energy: 3.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -251.818689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.818689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.818689 (E_RNA)
where:
Base-Base interactions energy: -162.441
where: short stacking energy: -72.174
Base-Backbone interact. energy: -1.097
local terms energy: -88.281190
where:
bonds (distance) C4'-P energy: -18.243
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -20.609
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -22.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -263.770505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.770505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.770505 (E_RNA)
where:
Base-Base interactions energy: -179.290
where: short stacking energy: -76.880
Base-Backbone interact. energy: -0.176
local terms energy: -84.305094
where:
bonds (distance) C4'-P energy: -16.168
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -19.368
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -22.338
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: 9
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -241.098223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.098223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.098223 (E_RNA)
where:
Base-Base interactions energy: -159.810
where: short stacking energy: -64.288
Base-Backbone interact. energy: -1.582
local terms energy: -79.706725
where:
bonds (distance) C4'-P energy: -16.569
bonds (distance) P-C4' energy: -18.353
flat angles C4'-P-C4' energy: -17.195
flat angles P-C4'-P energy: -12.252
tors. eta vs tors. theta energy: -15.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -198.973604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.973604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.973604 (E_RNA)
where:
Base-Base interactions energy: -123.130
where: short stacking energy: -62.194
Base-Backbone interact. energy: -0.027
local terms energy: -75.816810
where:
bonds (distance) C4'-P energy: -16.833
bonds (distance) P-C4' energy: -16.549
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -7.706
tors. eta vs tors. theta energy: -19.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -185.643047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.643047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.643047 (E_RNA)
where:
Base-Base interactions energy: -111.866
where: short stacking energy: -55.280
Base-Backbone interact. energy: 0.386
local terms energy: -74.163429
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -14.873
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -15.302
tors. eta vs tors. theta energy: -15.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -139.166409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.166409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.166409 (E_RNA)
where:
Base-Base interactions energy: -72.982
where: short stacking energy: -39.337
Base-Backbone interact. energy: -0.309
local terms energy: -65.875320
where:
bonds (distance) C4'-P energy: -15.236
bonds (distance) P-C4' energy: -18.027
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -10.625
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: 7, replica: 8
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -84.340376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.340376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.340376 (E_RNA)
where:
Base-Base interactions energy: -31.148
where: short stacking energy: -28.395
Base-Backbone interact. energy: 0.778
local terms energy: -53.969903
where:
bonds (distance) C4'-P energy: -11.968
bonds (distance) P-C4' energy: -12.866
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -1.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -138.825887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.825887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.825887 (E_RNA)
where:
Base-Base interactions energy: -88.532
where: short stacking energy: -39.729
Base-Backbone interact. energy: -0.042
local terms energy: -50.251982
where:
bonds (distance) C4'-P energy: -18.773
bonds (distance) P-C4' energy: -7.146
flat angles C4'-P-C4' energy: -10.298
flat angles P-C4'-P energy: -6.606
tors. eta vs tors. theta energy: -7.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -86.417505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.417505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.417505 (E_RNA)
where:
Base-Base interactions energy: -33.443
where: short stacking energy: -33.443
Base-Backbone interact. energy: -0.090
local terms energy: -52.884468
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -10.234
flat angles P-C4'-P energy: -2.476
tors. eta vs tors. theta energy: -10.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -97.156592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.156592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.156592 (E_RNA)
where:
Base-Base interactions energy: -37.264
where: short stacking energy: -36.056
Base-Backbone interact. energy: -0.077
local terms energy: -59.816162
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -18.570
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: -5.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -260.875403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.875403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.875403 (E_RNA)
where:
Base-Base interactions energy: -170.951
where: short stacking energy: -79.355
Base-Backbone interact. energy: -1.783
local terms energy: -88.142141
where:
bonds (distance) C4'-P energy: -19.067
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -11.475
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: 7
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -260.034013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.034013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.034013 (E_RNA)
where:
Base-Base interactions energy: -166.245
where: short stacking energy: -82.122
Base-Backbone interact. energy: 0.857
local terms energy: -94.646764
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -19.513
flat angles C4'-P-C4' energy: -19.426
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -27.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -248.299308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.299308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.299308 (E_RNA)
where:
Base-Base interactions energy: -172.289
where: short stacking energy: -70.836
Base-Backbone interact. energy: -0.208
local terms energy: -75.803179
where:
bonds (distance) C4'-P energy: -18.375
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -20.191
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: 4, replica: 1
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -195.477838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.477838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.477838 (E_RNA)
where:
Base-Base interactions energy: -122.842
where: short stacking energy: -49.185
Base-Backbone interact. energy: -0.293
local terms energy: -72.342640
where:
bonds (distance) C4'-P energy: -17.957
bonds (distance) P-C4' energy: -20.098
flat angles C4'-P-C4' energy: -11.383
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -11.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -189.241187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.241187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.241187 (E_RNA)
where:
Base-Base interactions energy: -111.218
where: short stacking energy: -55.852
Base-Backbone interact. energy: -0.216
local terms energy: -77.806742
where:
bonds (distance) C4'-P energy: -17.451
bonds (distance) P-C4' energy: -16.358
flat angles C4'-P-C4' energy: -17.571
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: -15.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -117.169982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.169982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.169982 (E_RNA)
where:
Base-Base interactions energy: -61.492
where: short stacking energy: -46.484
Base-Backbone interact. energy: -0.790
local terms energy: -54.887617
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -8.720
tors. eta vs tors. theta energy: -4.049
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: 10
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -115.192398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.192398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.192398 (E_RNA)
where:
Base-Base interactions energy: -59.394
where: short stacking energy: -28.480
Base-Backbone interact. energy: -1.217
local terms energy: -54.581134
where:
bonds (distance) C4'-P energy: -15.085
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -9.074
tors. eta vs tors. theta energy: -0.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -90.130414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.130414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.130414 (E_RNA)
where:
Base-Base interactions energy: -36.485
where: short stacking energy: -36.606
Base-Backbone interact. energy: -0.130
local terms energy: -53.515322
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -11.131
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -7.216
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: 3
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -86.533432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.533432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.533432 (E_RNA)
where:
Base-Base interactions energy: -30.090
where: short stacking energy: -23.634
Base-Backbone interact. energy: -1.192
local terms energy: -55.251487
where:
bonds (distance) C4'-P energy: -19.025
bonds (distance) P-C4' energy: -11.260
flat angles C4'-P-C4' energy: -12.876
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -1.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -73.382880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.382880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.382880 (E_RNA)
where:
Base-Base interactions energy: -30.829
where: short stacking energy: -28.571
Base-Backbone interact. energy: -0.702
local terms energy: -41.851815
where:
bonds (distance) C4'-P energy: -16.182
bonds (distance) P-C4' energy: -4.448
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -11.521
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: 1, replica: 6
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -263.147380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.147380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.147380 (E_RNA)
where:
Base-Base interactions energy: -171.688
where: short stacking energy: -85.389
Base-Backbone interact. energy: -0.018
local terms energy: -91.441040
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -20.003
flat angles P-C4'-P energy: -14.818
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: 2, replica: 9
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -256.520474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.520474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.520474 (E_RNA)
where:
Base-Base interactions energy: -174.151
where: short stacking energy: -76.009
Base-Backbone interact. energy: -0.096
local terms energy: -82.273657
where:
bonds (distance) C4'-P energy: -16.400
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -20.073
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -19.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -257.535463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.535463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.535463 (E_RNA)
where:
Base-Base interactions energy: -171.208
where: short stacking energy: -78.104
Base-Backbone interact. energy: -0.441
local terms energy: -85.886842
where:
bonds (distance) C4'-P energy: -16.922
bonds (distance) P-C4' energy: -12.561
flat angles C4'-P-C4' energy: -18.853
flat angles P-C4'-P energy: -13.431
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: 4, replica: 1
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -200.529519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.529519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.529519 (E_RNA)
where:
Base-Base interactions energy: -124.883
where: short stacking energy: -71.512
Base-Backbone interact. energy: -0.211
local terms energy: -75.436331
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -7.035
tors. eta vs tors. theta energy: -23.489
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: 5
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -172.092067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.092067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.092067 (E_RNA)
where:
Base-Base interactions energy: -90.193
where: short stacking energy: -52.088
Base-Backbone interact. energy: -0.018
local terms energy: -81.880771
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -20.677
flat angles C4'-P-C4' energy: -18.063
flat angles P-C4'-P energy: -13.830
tors. eta vs tors. theta energy: -16.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -140.144494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.144494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.144494 (E_RNA)
where:
Base-Base interactions energy: -87.570
where: short stacking energy: -42.547
Base-Backbone interact. energy: 0.411
local terms energy: -52.984541
where:
bonds (distance) C4'-P energy: -16.922
bonds (distance) P-C4' energy: -11.340
flat angles C4'-P-C4' energy: -10.676
flat angles P-C4'-P energy: -6.611
tors. eta vs tors. theta energy: -7.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -100.083485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.083485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.083485 (E_RNA)
where:
Base-Base interactions energy: -40.192
where: short stacking energy: -40.192
Base-Backbone interact. energy: -0.020
local terms energy: -59.871715
where:
bonds (distance) C4'-P energy: -13.542
bonds (distance) P-C4' energy: -12.424
flat angles C4'-P-C4' energy: -18.542
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -5.889
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: 3
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -113.306870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.306870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.306870 (E_RNA)
where:
Base-Base interactions energy: -55.899
where: short stacking energy: -35.359
Base-Backbone interact. energy: 0.190
local terms energy: -57.598338
where:
bonds (distance) C4'-P energy: -15.255
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -9.548
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -6.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -91.849611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.849611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.849611 (E_RNA)
where:
Base-Base interactions energy: -33.317
where: short stacking energy: -32.648
Base-Backbone interact. energy: 2.186
local terms energy: -60.718976
where:
bonds (distance) C4'-P energy: -16.194
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -3.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -77.814524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.814524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.814524 (E_RNA)
where:
Base-Base interactions energy: -31.902
where: short stacking energy: -21.703
Base-Backbone interact. energy: -0.169
local terms energy: -45.742883
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -11.515
flat angles C4'-P-C4' energy: -11.496
flat angles P-C4'-P energy: -7.661
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: 1, replica: 6
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -260.491626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.491626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.491626 (E_RNA)
where:
Base-Base interactions energy: -170.641
where: short stacking energy: -85.390
Base-Backbone interact. energy: -0.083
local terms energy: -89.766920
where:
bonds (distance) C4'-P energy: -18.541
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -20.564
flat angles P-C4'-P energy: -11.130
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: 2, replica: 9
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -257.569163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.569163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.569163 (E_RNA)
where:
Base-Base interactions energy: -173.495
where: short stacking energy: -76.421
Base-Backbone interact. energy: -1.961
local terms energy: -82.113269
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -19.150
flat angles C4'-P-C4' energy: -18.038
flat angles P-C4'-P energy: -6.152
tors. eta vs tors. theta energy: -24.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -200.185451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.185451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.185451 (E_RNA)
where:
Base-Base interactions energy: -117.678
where: short stacking energy: -58.889
Base-Backbone interact. energy: -0.152
local terms energy: -82.355320
where:
bonds (distance) C4'-P energy: -12.909
bonds (distance) P-C4' energy: -18.748
flat angles C4'-P-C4' energy: -19.547
flat angles P-C4'-P energy: -12.549
tors. eta vs tors. theta energy: -18.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -241.086287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.086287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.086287 (E_RNA)
where:
Base-Base interactions energy: -152.557
where: short stacking energy: -80.457
Base-Backbone interact. energy: -0.068
local terms energy: -88.461477
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -19.735
flat angles P-C4'-P energy: -13.072
tors. eta vs tors. theta energy: -26.012
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: 5, replica: 10
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -150.174537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.174537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.174537 (E_RNA)
where:
Base-Base interactions energy: -81.796
where: short stacking energy: -40.854
Base-Backbone interact. energy: -0.014
local terms energy: -68.364259
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -13.185
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -10.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -137.492939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.492939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.492939 (E_RNA)
where:
Base-Base interactions energy: -68.519
where: short stacking energy: -46.438
Base-Backbone interact. energy: -0.483
local terms energy: -68.490601
where:
bonds (distance) C4'-P energy: -11.175
bonds (distance) P-C4' energy: -14.007
flat angles C4'-P-C4' energy: -17.736
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -13.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -105.015793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.015793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.015793 (E_RNA)
where:
Base-Base interactions energy: -37.006
where: short stacking energy: -30.596
Base-Backbone interact. energy: -0.002
local terms energy: -68.007588
where:
bonds (distance) C4'-P energy: -18.313
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -14.716
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -9.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -95.898195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.898195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.898195 (E_RNA)
where:
Base-Base interactions energy: -37.434
where: short stacking energy: -37.434
Base-Backbone interact. energy: 0.863
local terms energy: -59.327124
where:
bonds (distance) C4'-P energy: -16.786
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -9.754
flat angles P-C4'-P energy: -10.138
tors. eta vs tors. theta energy: -8.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -89.389923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.389923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.389923 (E_RNA)
where:
Base-Base interactions energy: -31.403
where: short stacking energy: -27.771
Base-Backbone interact. energy: -0.003
local terms energy: -57.984679
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -14.260
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: -4.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -94.239902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.239902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.239902 (E_RNA)
where:
Base-Base interactions energy: -40.640
where: short stacking energy: -25.740
Base-Backbone interact. energy: -0.248
local terms energy: -53.352331
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -3.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -262.825368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.825368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.825368 (E_RNA)
where:
Base-Base interactions energy: -173.098
where: short stacking energy: -78.757
Base-Backbone interact. energy: -1.223
local terms energy: -88.504037
where:
bonds (distance) C4'-P energy: -18.623
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -18.700
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -22.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -211.476389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.476389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.476389 (E_RNA)
where:
Base-Base interactions energy: -133.907
where: short stacking energy: -58.349
Base-Backbone interact. energy: -0.060
local terms energy: -77.509120
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -19.603
flat angles P-C4'-P energy: -12.750
tors. eta vs tors. theta energy: -17.309
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: 3, replica: 9
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -247.690747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.690747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.690747 (E_RNA)
where:
Base-Base interactions energy: -171.647
where: short stacking energy: -73.530
Base-Backbone interact. energy: -0.912
local terms energy: -75.131337
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -13.399
tors. eta vs tors. theta energy: -18.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -225.517445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.517445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.517445 (E_RNA)
where:
Base-Base interactions energy: -147.655
where: short stacking energy: -67.373
Base-Backbone interact. energy: -0.078
local terms energy: -77.784219
where:
bonds (distance) C4'-P energy: -15.412
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -13.177
tors. eta vs tors. theta energy: -20.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -121.486954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.486954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.486954 (E_RNA)
where:
Base-Base interactions energy: -43.021
where: short stacking energy: -41.552
Base-Backbone interact. energy: -0.204
local terms energy: -78.261717
where:
bonds (distance) C4'-P energy: -18.060
bonds (distance) P-C4' energy: -18.923
flat angles C4'-P-C4' energy: -20.647
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -9.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -103.530366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.530366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.530366 (E_RNA)
where:
Base-Base interactions energy: -49.012
where: short stacking energy: -33.712
Base-Backbone interact. energy: -0.281
local terms energy: -54.237595
where:
bonds (distance) C4'-P energy: -17.917
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -11.954
flat angles P-C4'-P energy: -2.035
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: 7, replica: 5
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -91.151678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.151678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.151678 (E_RNA)
where:
Base-Base interactions energy: -34.162
where: short stacking energy: -23.668
Base-Backbone interact. energy: -0.083
local terms energy: -56.906177
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -7.054
tors. eta vs tors. theta energy: -3.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -102.640797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.640797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.640797 (E_RNA)
where:
Base-Base interactions energy: -42.217
where: short stacking energy: -42.217
Base-Backbone interact. energy: -0.012
local terms energy: -60.412332
where:
bonds (distance) C4'-P energy: -19.754
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -7.835
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: 9, replica: 2
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -95.550633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.550633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.550633 (E_RNA)
where:
Base-Base interactions energy: -37.481
where: short stacking energy: -37.092
Base-Backbone interact. energy: -0.035
local terms energy: -58.035100
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -13.633
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -8.288
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: 8
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -82.692437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.692437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.692437 (E_RNA)
where:
Base-Base interactions energy: -37.436
where: short stacking energy: -29.558
Base-Backbone interact. energy: -0.924
local terms energy: -44.332486
where:
bonds (distance) C4'-P energy: -8.275
bonds (distance) P-C4' energy: -16.990
flat angles C4'-P-C4' energy: -14.112
flat angles P-C4'-P energy: -7.942
tors. eta vs tors. theta energy: 2.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -256.944889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.944889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.944889 (E_RNA)
where:
Base-Base interactions energy: -167.564
where: short stacking energy: -81.628
Base-Backbone interact. energy: -0.002
local terms energy: -89.378264
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -18.613
flat angles C4'-P-C4' energy: -17.784
flat angles P-C4'-P energy: -12.353
tors. eta vs tors. theta energy: -24.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -202.362484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.362484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.362484 (E_RNA)
where:
Base-Base interactions energy: -115.540
where: short stacking energy: -62.994
Base-Backbone interact. energy: -0.099
local terms energy: -86.723857
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -18.850
flat angles C4'-P-C4' energy: -17.040
flat angles P-C4'-P energy: -15.737
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: 3, replica: 9
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -250.845300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.845300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.845300 (E_RNA)
where:
Base-Base interactions energy: -168.604
where: short stacking energy: -65.635
Base-Backbone interact. energy: -0.339
local terms energy: -81.902435
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -19.038
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -20.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -232.710844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.710844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.710844 (E_RNA)
where:
Base-Base interactions energy: -148.593
where: short stacking energy: -59.016
Base-Backbone interact. energy: -0.089
local terms energy: -84.028192
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -18.232
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -19.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -105.365136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.365136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.365136 (E_RNA)
where:
Base-Base interactions energy: -45.161
where: short stacking energy: -43.057
Base-Backbone interact. energy: -0.369
local terms energy: -59.835356
where:
bonds (distance) C4'-P energy: -16.592
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -8.254
tors. eta vs tors. theta energy: -5.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -110.849258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.849258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.849258 (E_RNA)
where:
Base-Base interactions energy: -51.956
where: short stacking energy: -31.069
Base-Backbone interact. energy: -0.002
local terms energy: -58.890943
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -18.234
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -9.911
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: 7, replica: 4
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -113.675469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.675469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.675469 (E_RNA)
where:
Base-Base interactions energy: -48.730
where: short stacking energy: -24.051
Base-Backbone interact. energy: 0.778
local terms energy: -65.722764
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -19.465
flat angles P-C4'-P energy: -9.770
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: 8, replica: 5
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -95.621949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.621949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.621949 (E_RNA)
where:
Base-Base interactions energy: -35.482
where: short stacking energy: -29.769
Base-Backbone interact. energy: -0.100
local terms energy: -60.040116
where:
bonds (distance) C4'-P energy: -17.382
bonds (distance) P-C4' energy: -15.828
flat angles C4'-P-C4' energy: -12.245
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -5.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -92.627058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.627058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.627058 (E_RNA)
where:
Base-Base interactions energy: -31.959
where: short stacking energy: -25.932
Base-Backbone interact. energy: -0.308
local terms energy: -60.360573
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -14.217
flat angles C4'-P-C4' energy: -19.473
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -4.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -104.220496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.220496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.220496 (E_RNA)
where:
Base-Base interactions energy: -43.426
where: short stacking energy: -34.647
Base-Backbone interact. energy: -0.323
local terms energy: -60.472158
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -18.369
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -5.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -261.521616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.521616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.521616 (E_RNA)
where:
Base-Base interactions energy: -178.500
where: short stacking energy: -75.486
Base-Backbone interact. energy: -0.682
local terms energy: -82.339678
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: -21.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -262.407487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.407487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.407487 (E_RNA)
where:
Base-Base interactions energy: -166.752
where: short stacking energy: -81.921
Base-Backbone interact. energy: -0.267
local terms energy: -95.388239
where:
bonds (distance) C4'-P energy: -17.348
bonds (distance) P-C4' energy: -18.948
flat angles C4'-P-C4' energy: -20.407
flat angles P-C4'-P energy: -13.238
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: 3, replica: 1
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -199.372651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.372651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.372651 (E_RNA)
where:
Base-Base interactions energy: -125.308
where: short stacking energy: -55.142
Base-Backbone interact. energy: -0.378
local terms energy: -73.686350
where:
bonds (distance) C4'-P energy: -18.102
bonds (distance) P-C4' energy: -16.698
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -13.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -227.041164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.041164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.041164 (E_RNA)
where:
Base-Base interactions energy: -153.778
where: short stacking energy: -65.456
Base-Backbone interact. energy: -0.152
local terms energy: -73.110932
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -18.742
flat angles P-C4'-P energy: -8.179
tors. eta vs tors. theta energy: -16.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -117.912869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.912869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.912869 (E_RNA)
where:
Base-Base interactions energy: -49.809
where: short stacking energy: -42.945
Base-Backbone interact. energy: 0.851
local terms energy: -68.954205
where:
bonds (distance) C4'-P energy: -8.696
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -13.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -113.524193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.524193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.524193 (E_RNA)
where:
Base-Base interactions energy: -44.855
where: short stacking energy: -28.158
Base-Backbone interact. energy: -0.346
local terms energy: -68.323120
where:
bonds (distance) C4'-P energy: -17.316
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -14.015
tors. eta vs tors. theta energy: -5.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -102.714480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.714480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.714480 (E_RNA)
where:
Base-Base interactions energy: -40.995
where: short stacking energy: -37.123
Base-Backbone interact. energy: -0.541
local terms energy: -61.177589
where:
bonds (distance) C4'-P energy: -16.115
bonds (distance) P-C4' energy: -14.950
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -15.481
tors. eta vs tors. theta energy: -1.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -106.220198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.220198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.220198 (E_RNA)
where:
Base-Base interactions energy: -47.844
where: short stacking energy: -29.724
Base-Backbone interact. energy: -0.532
local terms energy: -57.844017
where:
bonds (distance) C4'-P energy: -18.099
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -12.896
tors. eta vs tors. theta energy: 2.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -88.392380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.392380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.392380 (E_RNA)
where:
Base-Base interactions energy: -32.978
where: short stacking energy: -25.158
Base-Backbone interact. energy: -0.148
local terms energy: -55.266730
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -17.595
flat angles P-C4'-P energy: -11.472
tors. eta vs tors. theta energy: 2.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -95.288027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.288027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.288027 (E_RNA)
where:
Base-Base interactions energy: -31.141
where: short stacking energy: -30.661
Base-Backbone interact. energy: -0.068
local terms energy: -64.078163
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -17.923
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -3.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -264.111686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.111686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.111686 (E_RNA)
where:
Base-Base interactions energy: -169.777
where: short stacking energy: -78.350
Base-Backbone interact. energy: -0.003
local terms energy: -94.331369
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -18.825
flat angles C4'-P-C4' energy: -21.079
flat angles P-C4'-P energy: -13.561
tors. eta vs tors. theta energy: -24.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -258.824029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.824029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.824029 (E_RNA)
where:
Base-Base interactions energy: -175.231
where: short stacking energy: -70.146
Base-Backbone interact. energy: -0.135
local terms energy: -83.458457
where:
bonds (distance) C4'-P energy: -15.727
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -19.222
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -18.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -223.431987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.431987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.431987 (E_RNA)
where:
Base-Base interactions energy: -147.927
where: short stacking energy: -66.238
Base-Backbone interact. energy: -0.125
local terms energy: -75.379698
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -18.942
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -17.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -189.441029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.441029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.441029 (E_RNA)
where:
Base-Base interactions energy: -110.691
where: short stacking energy: -51.998
Base-Backbone interact. energy: -0.690
local terms energy: -78.060155
where:
bonds (distance) C4'-P energy: -18.385
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -17.909
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: 5, replica: 4
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -102.525166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.525166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.525166 (E_RNA)
where:
Base-Base interactions energy: -38.436
where: short stacking energy: -27.769
Base-Backbone interact. energy: -0.559
local terms energy: -63.530702
where:
bonds (distance) C4'-P energy: -18.134
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -3.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -114.594826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.594826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.594826 (E_RNA)
where:
Base-Base interactions energy: -46.470
where: short stacking energy: -46.470
Base-Backbone interact. energy: 0.153
local terms energy: -68.277563
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -13.050
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: 7, replica: 8
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -98.910003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.910003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.910003 (E_RNA)
where:
Base-Base interactions energy: -40.479
where: short stacking energy: -29.071
Base-Backbone interact. energy: -0.038
local terms energy: -58.393366
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -8.954
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: 8, replica: 3
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -101.171140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.171140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.171140 (E_RNA)
where:
Base-Base interactions energy: -31.048
where: short stacking energy: -27.771
Base-Backbone interact. energy: -1.180
local terms energy: -68.942985
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -16.187
flat angles C4'-P-C4' energy: -16.106
flat angles P-C4'-P energy: -13.720
tors. eta vs tors. theta energy: -7.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -87.199751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.199751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.199751 (E_RNA)
where:
Base-Base interactions energy: -37.809
where: short stacking energy: -31.951
Base-Backbone interact. energy: -0.554
local terms energy: -48.836107
where:
bonds (distance) C4'-P energy: -12.375
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -7.104
tors. eta vs tors. theta energy: -0.504
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: 5
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -71.755679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.755679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.755679 (E_RNA)
where:
Base-Base interactions energy: -19.819
where: short stacking energy: -19.819
Base-Backbone interact. energy: -0.453
local terms energy: -51.483817
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -12.613
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: 3.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -255.173258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.173258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.173258 (E_RNA)
where:
Base-Base interactions energy: -165.678
where: short stacking energy: -80.654
Base-Backbone interact. energy: 0.859
local terms energy: -90.354717
where:
bonds (distance) C4'-P energy: -18.801
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -19.644
flat angles P-C4'-P energy: -12.814
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: 2, replica: 7
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -248.970103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.970103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.970103 (E_RNA)
where:
Base-Base interactions energy: -161.039
where: short stacking energy: -71.631
Base-Backbone interact. energy: -0.257
local terms energy: -87.673886
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -19.522
flat angles C4'-P-C4' energy: -19.212
flat angles P-C4'-P energy: -14.651
tors. eta vs tors. theta energy: -21.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -252.410204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.410204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.410204 (E_RNA)
where:
Base-Base interactions energy: -171.512
where: short stacking energy: -72.183
Base-Backbone interact. energy: -0.156
local terms energy: -80.741978
where:
bonds (distance) C4'-P energy: -10.315
bonds (distance) P-C4' energy: -17.712
flat angles C4'-P-C4' energy: -16.762
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -25.034
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: 349
Temperature: 1.050000
Total energy: -184.995957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.995957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.995957 (E_RNA)
where:
Base-Base interactions energy: -116.891
where: short stacking energy: -58.861
Base-Backbone interact. energy: -0.705
local terms energy: -67.399605
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -6.563
tors. eta vs tors. theta energy: -15.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -148.824923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.824923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.824923 (E_RNA)
where:
Base-Base interactions energy: -82.916
where: short stacking energy: -44.578
Base-Backbone interact. energy: -0.154
local terms energy: -65.754967
where:
bonds (distance) C4'-P energy: -12.386
bonds (distance) P-C4' energy: -17.558
flat angles C4'-P-C4' energy: -17.463
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -8.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -103.736142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.736142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.736142 (E_RNA)
where:
Base-Base interactions energy: -48.185
where: short stacking energy: -33.564
Base-Backbone interact. energy: -0.722
local terms energy: -54.829543
where:
bonds (distance) C4'-P energy: -9.930
bonds (distance) P-C4' energy: -17.465
flat angles C4'-P-C4' energy: -14.224
flat angles P-C4'-P energy: -11.528
tors. eta vs tors. theta energy: -1.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -115.047874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.047874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.047874 (E_RNA)
where:
Base-Base interactions energy: -61.637
where: short stacking energy: -27.097
Base-Backbone interact. energy: -0.603
local terms energy: -52.807561
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -10.660
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -5.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -92.924618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.924618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.924618 (E_RNA)
where:
Base-Base interactions energy: -41.804
where: short stacking energy: -26.591
Base-Backbone interact. energy: -2.698
local terms energy: -48.422359
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -7.365
flat angles P-C4'-P energy: -9.775
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: 9, replica: 3
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -83.152333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.152333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.152333 (E_RNA)
where:
Base-Base interactions energy: -25.609
where: short stacking energy: -20.755
Base-Backbone interact. energy: -2.138
local terms energy: -55.405178
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -0.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -86.924442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.924442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.924442 (E_RNA)
where:
Base-Base interactions energy: -41.440
where: short stacking energy: -18.097
Base-Backbone interact. energy: -0.441
local terms energy: -45.042976
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -11.770
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -4.539
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: 6
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -257.243595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.243595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.243595 (E_RNA)
where:
Base-Base interactions energy: -167.994
where: short stacking energy: -85.948
Base-Backbone interact. energy: 0.145
local terms energy: -89.395042
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -18.540
flat angles C4'-P-C4' energy: -19.126
flat angles P-C4'-P energy: -12.290
tors. eta vs tors. theta energy: -25.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -245.308486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.308486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.308486 (E_RNA)
where:
Base-Base interactions energy: -158.600
where: short stacking energy: -75.511
Base-Backbone interact. energy: -0.425
local terms energy: -86.283494
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -16.091
flat angles C4'-P-C4' energy: -18.804
flat angles P-C4'-P energy: -15.524
tors. eta vs tors. theta energy: -22.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -249.526068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.526068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.526068 (E_RNA)
where:
Base-Base interactions energy: -160.882
where: short stacking energy: -69.180
Base-Backbone interact. energy: -0.273
local terms energy: -88.371161
where:
bonds (distance) C4'-P energy: -18.189
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -19.765
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -21.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -184.027154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.027154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.027154 (E_RNA)
where:
Base-Base interactions energy: -108.811
where: short stacking energy: -51.995
Base-Backbone interact. energy: -0.575
local terms energy: -74.641203
where:
bonds (distance) C4'-P energy: -17.103
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -17.712
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -15.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -182.963544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.963544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.963544 (E_RNA)
where:
Base-Base interactions energy: -115.965
where: short stacking energy: -60.530
Base-Backbone interact. energy: 0.108
local terms energy: -67.106847
where:
bonds (distance) C4'-P energy: -10.639
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -13.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -105.937873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.937873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.937873 (E_RNA)
where:
Base-Base interactions energy: -39.467
where: short stacking energy: -29.924
Base-Backbone interact. energy: -0.112
local terms energy: -66.358487
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -18.601
flat angles C4'-P-C4' energy: -17.529
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: -5.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -85.316996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.316996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.316996 (E_RNA)
where:
Base-Base interactions energy: -43.411
where: short stacking energy: -33.290
Base-Backbone interact. energy: -0.152
local terms energy: -41.753728
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -6.488
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -3.656
tors. eta vs tors. theta energy: -1.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -120.088827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.088827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.088827 (E_RNA)
where:
Base-Base interactions energy: -59.494
where: short stacking energy: -31.916
Base-Backbone interact. energy: -0.247
local terms energy: -60.347717
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -7.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -98.470371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.470371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.470371 (E_RNA)
where:
Base-Base interactions energy: -43.190
where: short stacking energy: -22.774
Base-Backbone interact. energy: 0.312
local terms energy: -55.591630
where:
bonds (distance) C4'-P energy: -15.889
bonds (distance) P-C4' energy: -17.554
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -3.774
tors. eta vs tors. theta energy: -4.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -98.440080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.440080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.440080 (E_RNA)
where:
Base-Base interactions energy: -42.695
where: short stacking energy: -37.315
Base-Backbone interact. energy: -0.273
local terms energy: -55.471972
where:
bonds (distance) C4'-P energy: -11.944
bonds (distance) P-C4' energy: -15.295
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -6.712
tors. eta vs tors. theta energy: -6.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -257.791231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.791231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.791231 (E_RNA)
where:
Base-Base interactions energy: -167.692
where: short stacking energy: -84.501
Base-Backbone interact. energy: -0.706
local terms energy: -89.392729
where:
bonds (distance) C4'-P energy: -18.343
bonds (distance) P-C4' energy: -13.965
flat angles C4'-P-C4' energy: -19.969
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -25.193
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: 7
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -254.853757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.853757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.853757 (E_RNA)
where:
Base-Base interactions energy: -168.032
where: short stacking energy: -74.258
Base-Backbone interact. energy: -0.438
local terms energy: -86.383277
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -19.319
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -23.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -244.291147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.291147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.291147 (E_RNA)
where:
Base-Base interactions energy: -159.663
where: short stacking energy: -77.824
Base-Backbone interact. energy: -0.001
local terms energy: -84.627896
where:
bonds (distance) C4'-P energy: -13.376
bonds (distance) P-C4' energy: -18.610
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -13.764
tors. eta vs tors. theta energy: -22.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -167.983886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.983886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.983886 (E_RNA)
where:
Base-Base interactions energy: -105.312
where: short stacking energy: -44.810
Base-Backbone interact. energy: -0.087
local terms energy: -62.584397
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -10.539
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -9.630
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: 5, replica: 4
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -158.551475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.551475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.551475 (E_RNA)
where:
Base-Base interactions energy: -93.152
where: short stacking energy: -53.910
Base-Backbone interact. energy: -0.272
local terms energy: -65.127446
where:
bonds (distance) C4'-P energy: -17.503
bonds (distance) P-C4' energy: -11.110
flat angles C4'-P-C4' energy: -18.574
flat angles P-C4'-P energy: -6.275
tors. eta vs tors. theta energy: -11.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -103.686715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.686715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.686715 (E_RNA)
where:
Base-Base interactions energy: -43.193
where: short stacking energy: -30.435
Base-Backbone interact. energy: 0.306
local terms energy: -60.799529
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: -5.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -101.118219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.118219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.118219 (E_RNA)
where:
Base-Base interactions energy: -40.543
where: short stacking energy: -40.543
Base-Backbone interact. energy: -0.124
local terms energy: -60.450992
where:
bonds (distance) C4'-P energy: -10.067
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -9.963
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: 8, replica: 5
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -93.880097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.880097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.880097 (E_RNA)
where:
Base-Base interactions energy: -35.059
where: short stacking energy: -33.532
Base-Backbone interact. energy: -0.034
local terms energy: -58.787073
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -16.466
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -7.830
tors. eta vs tors. theta energy: -5.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -92.810693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.810693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.810693 (E_RNA)
where:
Base-Base interactions energy: -41.309
where: short stacking energy: -31.432
Base-Backbone interact. energy: 0.658
local terms energy: -52.159792
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -10.377
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -0.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -90.040208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.040208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.040208 (E_RNA)
where:
Base-Base interactions energy: -42.905
where: short stacking energy: -31.381
Base-Backbone interact. energy: -0.063
local terms energy: -47.071697
where:
bonds (distance) C4'-P energy: -6.029
bonds (distance) P-C4' energy: -15.887
flat angles C4'-P-C4' energy: -15.883
flat angles P-C4'-P energy: -6.235
tors. eta vs tors. theta energy: -3.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -256.684324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.684324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.684324 (E_RNA)
where:
Base-Base interactions energy: -164.710
where: short stacking energy: -81.651
Base-Backbone interact. energy: -1.161
local terms energy: -90.812921
where:
bonds (distance) C4'-P energy: -16.815
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -20.615
flat angles P-C4'-P energy: -11.259
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: 6
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -262.037969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.037969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.037969 (E_RNA)
where:
Base-Base interactions energy: -172.285
where: short stacking energy: -75.499
Base-Backbone interact. energy: 0.453
local terms energy: -90.206320
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -20.753
flat angles P-C4'-P energy: -16.219
tors. eta vs tors. theta energy: -22.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -238.408468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.408468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.408468 (E_RNA)
where:
Base-Base interactions energy: -164.010
where: short stacking energy: -57.124
Base-Backbone interact. energy: -0.682
local terms energy: -73.716780
where:
bonds (distance) C4'-P energy: -12.983
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -17.119
flat angles P-C4'-P energy: -12.565
tors. eta vs tors. theta energy: -15.575
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: 1
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -191.281298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.281298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.281298 (E_RNA)
where:
Base-Base interactions energy: -112.997
where: short stacking energy: -53.849
Base-Backbone interact. energy: -1.693
local terms energy: -76.590778
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -20.038
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: -15.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -151.966364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.966364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.966364 (E_RNA)
where:
Base-Base interactions energy: -82.162
where: short stacking energy: -51.004
Base-Backbone interact. energy: -0.202
local terms energy: -69.601579
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -18.847
flat angles C4'-P-C4' energy: -17.439
flat angles P-C4'-P energy: -11.713
tors. eta vs tors. theta energy: -11.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -98.615117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.615117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.615117 (E_RNA)
where:
Base-Base interactions energy: -43.410
where: short stacking energy: -42.118
Base-Backbone interact. energy: -0.765
local terms energy: -54.439800
where:
bonds (distance) C4'-P energy: -10.351
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -11.136
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -4.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -105.301855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.301855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.301855 (E_RNA)
where:
Base-Base interactions energy: -51.653
where: short stacking energy: -24.465
Base-Backbone interact. energy: -1.088
local terms energy: -52.560804
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -16.415
flat angles C4'-P-C4' energy: -6.827
flat angles P-C4'-P energy: -12.769
tors. eta vs tors. theta energy: -0.020
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: 10
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -89.214452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.214452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.214452 (E_RNA)
where:
Base-Base interactions energy: -33.022
where: short stacking energy: -27.873
Base-Backbone interact. energy: -0.306
local terms energy: -55.886306
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -11.606
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -12.126
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: 9, replica: 3
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -79.686571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.686571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.686571 (E_RNA)
where:
Base-Base interactions energy: -23.470
where: short stacking energy: -22.308
Base-Backbone interact. energy: -0.066
local terms energy: -56.151190
where:
bonds (distance) C4'-P energy: -17.702
bonds (distance) P-C4' energy: -17.540
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: 4.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -83.635208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.635208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.635208 (E_RNA)
where:
Base-Base interactions energy: -27.643
where: short stacking energy: -24.686
Base-Backbone interact. energy: -0.129
local terms energy: -55.863211
where:
bonds (distance) C4'-P energy: -18.219
bonds (distance) P-C4' energy: -11.084
flat angles C4'-P-C4' energy: -17.739
flat angles P-C4'-P energy: -5.532
tors. eta vs tors. theta energy: -3.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -252.579540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.579540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.579540 (E_RNA)
where:
Base-Base interactions energy: -165.902
where: short stacking energy: -66.598
Base-Backbone interact. energy: 0.159
local terms energy: -86.836337
where:
bonds (distance) C4'-P energy: -17.629
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -19.405
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -21.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -265.744274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.744274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.744274 (E_RNA)
where:
Base-Base interactions energy: -172.054
where: short stacking energy: -81.095
Base-Backbone interact. energy: -0.139
local terms energy: -93.551188
where:
bonds (distance) C4'-P energy: -16.561
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -19.942
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -26.255
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: 9
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -241.697999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.697999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.697999 (E_RNA)
where:
Base-Base interactions energy: -156.737
where: short stacking energy: -73.218
Base-Backbone interact. energy: -0.189
local terms energy: -84.772176
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -14.707
flat angles C4'-P-C4' energy: -19.888
flat angles P-C4'-P energy: -13.947
tors. eta vs tors. theta energy: -23.299
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: 1
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -189.991496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.991496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.991496 (E_RNA)
where:
Base-Base interactions energy: -120.604
where: short stacking energy: -47.542
Base-Backbone interact. energy: -0.848
local terms energy: -68.539569
where:
bonds (distance) C4'-P energy: -16.993
bonds (distance) P-C4' energy: -13.101
flat angles C4'-P-C4' energy: -18.138
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: -11.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -155.972480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.972480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.972480 (E_RNA)
where:
Base-Base interactions energy: -86.773
where: short stacking energy: -51.449
Base-Backbone interact. energy: -0.319
local terms energy: -68.880592
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -19.275
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -3.066
tors. eta vs tors. theta energy: -15.249
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: 353
Temperature: 1.150000
Total energy: -111.939898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.939898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.939898 (E_RNA)
where:
Base-Base interactions energy: -56.006
where: short stacking energy: -45.456
Base-Backbone interact. energy: -0.195
local terms energy: -55.739235
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -12.077
flat angles P-C4'-P energy: -5.653
tors. eta vs tors. theta energy: -6.962
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: 2
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -95.963716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.963716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.963716 (E_RNA)
where:
Base-Base interactions energy: -32.649
where: short stacking energy: -18.434
Base-Backbone interact. energy: -0.193
local terms energy: -63.121898
where:
bonds (distance) C4'-P energy: -19.112
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -13.626
flat angles P-C4'-P energy: -13.200
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: 10
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -92.360914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.360914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.360914 (E_RNA)
where:
Base-Base interactions energy: -35.737
where: short stacking energy: -31.362
Base-Backbone interact. energy: 0.366
local terms energy: -56.989571
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -11.905
tors. eta vs tors. theta energy: -1.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -81.490867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.490867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.490867 (E_RNA)
where:
Base-Base interactions energy: -21.865
where: short stacking energy: -18.219
Base-Backbone interact. energy: 0.279
local terms energy: -59.905132
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -20.695
flat angles C4'-P-C4' energy: -7.883
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: -3.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -85.306542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.306542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.306542 (E_RNA)
where:
Base-Base interactions energy: -25.384
where: short stacking energy: -25.384
Base-Backbone interact. energy: -0.098
local terms energy: -59.824447
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -18.216
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: -2.926
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: 7
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -258.254687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.254687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.254687 (E_RNA)
where:
Base-Base interactions energy: -173.675
where: short stacking energy: -74.543
Base-Backbone interact. energy: -0.021
local terms energy: -84.558979
where:
bonds (distance) C4'-P energy: -13.393
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -16.939
flat angles P-C4'-P energy: -12.665
tors. eta vs tors. theta energy: -23.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -256.995724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.995724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.995724 (E_RNA)
where:
Base-Base interactions energy: -163.501
where: short stacking energy: -85.042
Base-Backbone interact. energy: -0.009
local terms energy: -93.486268
where:
bonds (distance) C4'-P energy: -17.552
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -21.012
flat angles P-C4'-P energy: -12.120
tors. eta vs tors. theta energy: -26.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -238.280138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.280138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.280138 (E_RNA)
where:
Base-Base interactions energy: -155.934
where: short stacking energy: -70.206
Base-Backbone interact. energy: -0.001
local terms energy: -82.344642
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -19.318
flat angles P-C4'-P energy: -11.059
tors. eta vs tors. theta energy: -20.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -184.176552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.176552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.176552 (E_RNA)
where:
Base-Base interactions energy: -118.794
where: short stacking energy: -48.734
Base-Backbone interact. energy: 1.261
local terms energy: -66.643402
where:
bonds (distance) C4'-P energy: -9.917
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -18.402
flat angles P-C4'-P energy: -7.942
tors. eta vs tors. theta energy: -14.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -140.816113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.816113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.816113 (E_RNA)
where:
Base-Base interactions energy: -80.959
where: short stacking energy: -44.156
Base-Backbone interact. energy: -0.102
local terms energy: -59.755237
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -14.472
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -6.900
tors. eta vs tors. theta energy: -8.468
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: 5
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -132.257203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.257203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.257203 (E_RNA)
where:
Base-Base interactions energy: -65.098
where: short stacking energy: -44.640
Base-Backbone interact. energy: 1.960
local terms energy: -69.119272
where:
bonds (distance) C4'-P energy: -18.073
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -14.052
tors. eta vs tors. theta energy: -6.447
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: 7, replica: 10
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -115.548734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.548734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.548734 (E_RNA)
where:
Base-Base interactions energy: -49.443
where: short stacking energy: -37.386
Base-Backbone interact. energy: -0.093
local terms energy: -66.012791
where:
bonds (distance) C4'-P energy: -16.191
bonds (distance) P-C4' energy: -13.530
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -14.759
tors. eta vs tors. theta energy: -7.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -104.375365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.375365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.375365 (E_RNA)
where:
Base-Base interactions energy: -45.939
where: short stacking energy: -40.378
Base-Backbone interact. energy: -0.291
local terms energy: -58.145691
where:
bonds (distance) C4'-P energy: -16.149
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -6.246
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -9.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -81.964285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.964285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.964285 (E_RNA)
where:
Base-Base interactions energy: -26.202
where: short stacking energy: -26.202
Base-Backbone interact. energy: -1.729
local terms energy: -54.033449
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: 1.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -76.661724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.661724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.661724 (E_RNA)
where:
Base-Base interactions energy: -25.312
where: short stacking energy: -14.677
Base-Backbone interact. energy: -1.066
local terms energy: -50.283045
where:
bonds (distance) C4'-P energy: -18.666
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -10.716
flat angles P-C4'-P energy: -11.988
tors. eta vs tors. theta energy: 5.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -257.601041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.601041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.601041 (E_RNA)
where:
Base-Base interactions energy: -168.326
where: short stacking energy: -80.056
Base-Backbone interact. energy: -0.440
local terms energy: -88.835934
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -17.527
flat angles P-C4'-P energy: -13.301
tors. eta vs tors. theta energy: -27.013
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: 2, replica: 6
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -261.058827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.058827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.058827 (E_RNA)
where:
Base-Base interactions energy: -172.294
where: short stacking energy: -79.189
Base-Backbone interact. energy: -1.501
local terms energy: -87.263359
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -16.140
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: 3, replica: 9
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -240.429932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.429932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.429932 (E_RNA)
where:
Base-Base interactions energy: -159.591
where: short stacking energy: -77.332
Base-Backbone interact. energy: -0.013
local terms energy: -80.825529
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -19.120
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -22.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -183.558679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.558679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.558679 (E_RNA)
where:
Base-Base interactions energy: -109.780
where: short stacking energy: -48.570
Base-Backbone interact. energy: -0.107
local terms energy: -73.671748
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -18.801
flat angles C4'-P-C4' energy: -18.738
flat angles P-C4'-P energy: -6.419
tors. eta vs tors. theta energy: -11.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -144.394502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.394502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.394502 (E_RNA)
where:
Base-Base interactions energy: -77.558
where: short stacking energy: -45.657
Base-Backbone interact. energy: -0.144
local terms energy: -66.692406
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -18.008
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -11.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -120.175585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.175585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.175585 (E_RNA)
where:
Base-Base interactions energy: -61.515
where: short stacking energy: -28.676
Base-Backbone interact. energy: -0.476
local terms energy: -58.184217
where:
bonds (distance) C4'-P energy: -16.790
bonds (distance) P-C4' energy: -13.389
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -4.270
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: 7, replica: 10
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -106.272703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.272703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.272703 (E_RNA)
where:
Base-Base interactions energy: -40.886
where: short stacking energy: -39.355
Base-Backbone interact. energy: -0.102
local terms energy: -65.285625
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -20.109
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -13.019
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: 8, replica: 8
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -92.487486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.487486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.487486 (E_RNA)
where:
Base-Base interactions energy: -39.110
where: short stacking energy: -29.523
Base-Backbone interact. energy: -0.543
local terms energy: -52.834279
where:
bonds (distance) C4'-P energy: -19.767
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -11.266
flat angles P-C4'-P energy: -4.071
tors. eta vs tors. theta energy: -1.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -83.343474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.343474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.343474 (E_RNA)
where:
Base-Base interactions energy: -25.004
where: short stacking energy: -25.004
Base-Backbone interact. energy: -0.042
local terms energy: -58.297434
where:
bonds (distance) C4'-P energy: -18.881
bonds (distance) P-C4' energy: -17.434
flat angles C4'-P-C4' energy: -10.418
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -2.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -83.747458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.747458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.747458 (E_RNA)
where:
Base-Base interactions energy: -22.418
where: short stacking energy: -22.418
Base-Backbone interact. energy: 0.299
local terms energy: -61.628277
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -18.223
flat angles P-C4'-P energy: -11.020
tors. eta vs tors. theta energy: -1.890
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: 1, replica: 6
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -260.124328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.124328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.124328 (E_RNA)
where:
Base-Base interactions energy: -174.056
where: short stacking energy: -73.447
Base-Backbone interact. energy: -0.580
local terms energy: -85.488092
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -18.646
flat angles P-C4'-P energy: -15.626
tors. eta vs tors. theta energy: -24.014
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: 7
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -257.576247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.576247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.576247 (E_RNA)
where:
Base-Base interactions energy: -164.639
where: short stacking energy: -83.440
Base-Backbone interact. energy: -0.396
local terms energy: -92.541181
where:
bonds (distance) C4'-P energy: -16.897
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -17.537
flat angles P-C4'-P energy: -14.999
tors. eta vs tors. theta energy: -25.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -252.899878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.899878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.899878 (E_RNA)
where:
Base-Base interactions energy: -162.019
where: short stacking energy: -83.539
Base-Backbone interact. energy: -0.104
local terms energy: -90.776792
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -19.694
flat angles P-C4'-P energy: -13.791
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: 4, replica: 1
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -185.639825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.639825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.639825 (E_RNA)
where:
Base-Base interactions energy: -115.697
where: short stacking energy: -62.232
Base-Backbone interact. energy: -0.334
local terms energy: -69.608915
where:
bonds (distance) C4'-P energy: -10.589
bonds (distance) P-C4' energy: -17.288
flat angles C4'-P-C4' energy: -16.319
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -17.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -128.673669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.673669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.673669 (E_RNA)
where:
Base-Base interactions energy: -69.883
where: short stacking energy: -45.108
Base-Backbone interact. energy: -1.081
local terms energy: -57.709911
where:
bonds (distance) C4'-P energy: -17.179
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -7.642
tors. eta vs tors. theta energy: -4.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -151.108810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.108810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.108810 (E_RNA)
where:
Base-Base interactions energy: -92.795
where: short stacking energy: -42.141
Base-Backbone interact. energy: -0.275
local terms energy: -58.039168
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -4.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -88.995547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.995547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.995547 (E_RNA)
where:
Base-Base interactions energy: -36.519
where: short stacking energy: -34.655
Base-Backbone interact. energy: -0.411
local terms energy: -52.065089
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -11.195
flat angles C4'-P-C4' energy: -11.486
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -9.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -106.540493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.540493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.540493 (E_RNA)
where:
Base-Base interactions energy: -47.178
where: short stacking energy: -26.745
Base-Backbone interact. energy: -0.458
local terms energy: -58.905310
where:
bonds (distance) C4'-P energy: -17.437
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -11.401
flat angles P-C4'-P energy: -7.323
tors. eta vs tors. theta energy: -5.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -84.116724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.116724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.116724 (E_RNA)
where:
Base-Base interactions energy: -32.299
where: short stacking energy: -30.660
Base-Backbone interact. energy: -0.123
local terms energy: -51.694717
where:
bonds (distance) C4'-P energy: -11.338
bonds (distance) P-C4' energy: -13.907
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -2.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -85.299412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.299412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.299412 (E_RNA)
where:
Base-Base interactions energy: -32.098
where: short stacking energy: -31.263
Base-Backbone interact. energy: -0.585
local terms energy: -52.616242
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -11.881
flat angles P-C4'-P energy: -11.186
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: 6
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -266.434748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.434748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.434748 (E_RNA)
where:
Base-Base interactions energy: -176.552
where: short stacking energy: -82.564
Base-Backbone interact. energy: -0.050
local terms energy: -89.832211
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -18.939
flat angles C4'-P-C4' energy: -20.167
flat angles P-C4'-P energy: -11.593
tors. eta vs tors. theta energy: -25.055
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: 7
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -262.141447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.141447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.141447 (E_RNA)
where:
Base-Base interactions energy: -170.773
where: short stacking energy: -85.757
Base-Backbone interact. energy: -0.696
local terms energy: -90.671853
where:
bonds (distance) C4'-P energy: -17.977
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -25.823
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: 9
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -254.255595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.255595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.255595 (E_RNA)
where:
Base-Base interactions energy: -163.680
where: short stacking energy: -78.562
Base-Backbone interact. energy: -0.018
local terms energy: -90.557432
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -18.030
flat angles P-C4'-P energy: -14.389
tors. eta vs tors. theta energy: -26.547
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: 1
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -189.755983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.755983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.755983 (E_RNA)
where:
Base-Base interactions energy: -110.387
where: short stacking energy: -54.973
Base-Backbone interact. energy: -0.758
local terms energy: -78.611488
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -18.577
flat angles C4'-P-C4' energy: -18.884
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: -19.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -111.387600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.387600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.387600 (E_RNA)
where:
Base-Base interactions energy: -42.981
where: short stacking energy: -33.829
Base-Backbone interact. energy: -0.287
local terms energy: -68.119645
where:
bonds (distance) C4'-P energy: -17.161
bonds (distance) P-C4' energy: -19.518
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -12.819
tors. eta vs tors. theta energy: -2.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -167.674745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.674745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.674745 (E_RNA)
where:
Base-Base interactions energy: -106.006
where: short stacking energy: -43.633
Base-Backbone interact. energy: -0.399
local terms energy: -61.269232
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -13.397
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -11.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -92.639602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.639602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.639602 (E_RNA)
where:
Base-Base interactions energy: -42.667
where: short stacking energy: -26.278
Base-Backbone interact. energy: 0.223
local terms energy: -50.196092
where:
bonds (distance) C4'-P energy: -9.069
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -9.869
flat angles P-C4'-P energy: -12.784
tors. eta vs tors. theta energy: 0.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -93.447613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.447613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.447613 (E_RNA)
where:
Base-Base interactions energy: -32.696
where: short stacking energy: -32.267
Base-Backbone interact. energy: -0.005
local terms energy: -60.746999
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -4.664
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: 9, replica: 10
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -88.294591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.294591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.294591 (E_RNA)
where:
Base-Base interactions energy: -33.028
where: short stacking energy: -33.028
Base-Backbone interact. energy: -0.248
local terms energy: -55.019104
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -13.086
flat angles C4'-P-C4' energy: -11.344
flat angles P-C4'-P energy: -7.213
tors. eta vs tors. theta energy: -8.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -78.057333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.057333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.057333 (E_RNA)
where:
Base-Base interactions energy: -27.770
where: short stacking energy: -20.831
Base-Backbone interact. energy: -0.318
local terms energy: -49.970034
where:
bonds (distance) C4'-P energy: -16.311
bonds (distance) P-C4' energy: -15.876
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -4.631
tors. eta vs tors. theta energy: 0.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -271.433675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.433675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.433675 (E_RNA)
where:
Base-Base interactions energy: -175.206
where: short stacking energy: -87.317
Base-Backbone interact. energy: -0.001
local terms energy: -96.227076
where:
bonds (distance) C4'-P energy: -19.944
bonds (distance) P-C4' energy: -18.351
flat angles C4'-P-C4' energy: -18.835
flat angles P-C4'-P energy: -12.432
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: 2, replica: 6
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -252.119020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.119020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.119020 (E_RNA)
where:
Base-Base interactions energy: -161.551
where: short stacking energy: -68.958
Base-Backbone interact. energy: -0.005
local terms energy: -90.563453
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -20.895
flat angles C4'-P-C4' energy: -17.913
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -24.840
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: 9
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -248.725472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.725472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.725472 (E_RNA)
where:
Base-Base interactions energy: -167.698
where: short stacking energy: -74.974
Base-Backbone interact. energy: -0.808
local terms energy: -80.219834
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -17.401
flat angles P-C4'-P energy: -12.271
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: 4, replica: 1
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -175.225619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.225619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.225619 (E_RNA)
where:
Base-Base interactions energy: -102.526
where: short stacking energy: -46.772
Base-Backbone interact. energy: -1.469
local terms energy: -71.231029
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -19.475
flat angles C4'-P-C4' energy: -16.691
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -11.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -191.114714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.114714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.114714 (E_RNA)
where:
Base-Base interactions energy: -115.271
where: short stacking energy: -55.162
Base-Backbone interact. energy: -0.752
local terms energy: -75.091657
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -12.402
tors. eta vs tors. theta energy: -17.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -112.006092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.006092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.006092 (E_RNA)
where:
Base-Base interactions energy: -41.341
where: short stacking energy: -37.666
Base-Backbone interact. energy: -0.279
local terms energy: -70.385675
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -17.049
flat angles C4'-P-C4' energy: -17.763
flat angles P-C4'-P energy: -11.128
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: 7, replica: 3
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -90.546276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.546276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.546276 (E_RNA)
where:
Base-Base interactions energy: -45.978
where: short stacking energy: -17.144
Base-Backbone interact. energy: -0.235
local terms energy: -44.333288
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -11.185
flat angles P-C4'-P energy: -0.606
tors. eta vs tors. theta energy: -1.233
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: 8
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -85.028087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.028087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.028087 (E_RNA)
where:
Base-Base interactions energy: -31.009
where: short stacking energy: -24.532
Base-Backbone interact. energy: 0.762
local terms energy: -54.781090
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -18.523
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -5.631
tors. eta vs tors. theta energy: 1.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -93.570469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.570469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.570469 (E_RNA)
where:
Base-Base interactions energy: -34.542
where: short stacking energy: -30.591
Base-Backbone interact. energy: -0.987
local terms energy: -58.041325
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -11.001
tors. eta vs tors. theta energy: -2.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -79.060136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.060136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.060136 (E_RNA)
where:
Base-Base interactions energy: -32.308
where: short stacking energy: -21.305
Base-Backbone interact. energy: -0.981
local terms energy: -45.771869
where:
bonds (distance) C4'-P energy: -10.412
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -11.168
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -0.585
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: 1, replica: 7
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -262.350790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.350790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.350790 (E_RNA)
where:
Base-Base interactions energy: -167.282
where: short stacking energy: -79.885
Base-Backbone interact. energy: -1.687
local terms energy: -93.382568
where:
bonds (distance) C4'-P energy: -17.983
bonds (distance) P-C4' energy: -17.662
flat angles C4'-P-C4' energy: -19.016
flat angles P-C4'-P energy: -12.593
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: 2, replica: 6
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -246.470001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.470001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.470001 (E_RNA)
where:
Base-Base interactions energy: -162.211
where: short stacking energy: -77.787
Base-Backbone interact. energy: -0.088
local terms energy: -84.171542
where:
bonds (distance) C4'-P energy: -16.582
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -12.591
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: -25.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -237.390071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.390071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.390071 (E_RNA)
where:
Base-Base interactions energy: -160.400
where: short stacking energy: -67.653
Base-Backbone interact. energy: -0.109
local terms energy: -76.881559
where:
bonds (distance) C4'-P energy: -16.889
bonds (distance) P-C4' energy: -18.548
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -15.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -200.595559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.595559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.595559 (E_RNA)
where:
Base-Base interactions energy: -122.924
where: short stacking energy: -58.177
Base-Backbone interact. energy: -0.054
local terms energy: -77.617149
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -11.765
flat angles C4'-P-C4' energy: -16.459
flat angles P-C4'-P energy: -14.271
tors. eta vs tors. theta energy: -19.951
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: 1
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -184.344921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.344921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.344921 (E_RNA)
where:
Base-Base interactions energy: -110.230
where: short stacking energy: -52.347
Base-Backbone interact. energy: -0.030
local terms energy: -74.084576
where:
bonds (distance) C4'-P energy: -17.714
bonds (distance) P-C4' energy: -13.699
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -12.015
tors. eta vs tors. theta energy: -14.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -108.333414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.333414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.333414 (E_RNA)
where:
Base-Base interactions energy: -40.987
where: short stacking energy: -31.677
Base-Backbone interact. energy: -0.119
local terms energy: -67.227257
where:
bonds (distance) C4'-P energy: -18.917
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -5.500
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: 4
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -99.980852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.980852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.980852 (E_RNA)
where:
Base-Base interactions energy: -46.840
where: short stacking energy: -40.685
Base-Backbone interact. energy: -0.231
local terms energy: -52.910307
where:
bonds (distance) C4'-P energy: -12.444
bonds (distance) P-C4' energy: -11.716
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -7.571
tors. eta vs tors. theta energy: -6.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -89.256147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.256147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.256147 (E_RNA)
where:
Base-Base interactions energy: -26.304
where: short stacking energy: -21.034
Base-Backbone interact. energy: -1.009
local terms energy: -61.943233
where:
bonds (distance) C4'-P energy: -16.960
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -2.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -80.934969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.934969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.934969 (E_RNA)
where:
Base-Base interactions energy: -23.329
where: short stacking energy: -19.120
Base-Backbone interact. energy: -1.528
local terms energy: -56.078438
where:
bonds (distance) C4'-P energy: -17.510
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -8.673
flat angles P-C4'-P energy: -10.704
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: 10, replica: 10
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -93.378730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.378730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.378730 (E_RNA)
where:
Base-Base interactions energy: -36.013
where: short stacking energy: -24.712
Base-Backbone interact. energy: 0.827
local terms energy: -58.192804
where:
bonds (distance) C4'-P energy: -18.321
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -14.028
flat angles P-C4'-P energy: -3.664
tors. eta vs tors. theta energy: -7.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -255.029647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.029647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.029647 (E_RNA)
where:
Base-Base interactions energy: -172.194
where: short stacking energy: -69.235
Base-Backbone interact. energy: 0.075
local terms energy: -82.910061
where:
bonds (distance) C4'-P energy: -17.672
bonds (distance) P-C4' energy: -19.908
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -20.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -245.738913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.738913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.738913 (E_RNA)
where:
Base-Base interactions energy: -158.706
where: short stacking energy: -72.932
Base-Backbone interact. energy: -0.166
local terms energy: -86.867267
where:
bonds (distance) C4'-P energy: -19.795
bonds (distance) P-C4' energy: -15.714
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -13.291
tors. eta vs tors. theta energy: -21.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -252.557091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.557091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.557091 (E_RNA)
where:
Base-Base interactions energy: -164.141
where: short stacking energy: -81.800
Base-Backbone interact. energy: -0.006
local terms energy: -88.410196
where:
bonds (distance) C4'-P energy: -17.796
bonds (distance) P-C4' energy: -16.779
flat angles C4'-P-C4' energy: -18.326
flat angles P-C4'-P energy: -8.959
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: 4, replica: 5
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -202.802312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.802312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.802312 (E_RNA)
where:
Base-Base interactions energy: -126.926
where: short stacking energy: -68.282
Base-Backbone interact. energy: 0.180
local terms energy: -76.055946
where:
bonds (distance) C4'-P energy: -10.890
bonds (distance) P-C4' energy: -16.395
flat angles C4'-P-C4' energy: -16.613
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: -19.704
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: 1
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -184.186343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.186343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.186343 (E_RNA)
where:
Base-Base interactions energy: -106.062
where: short stacking energy: -54.237
Base-Backbone interact. energy: -0.229
local terms energy: -77.894733
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -19.006
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -16.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -101.138060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.138060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.138060 (E_RNA)
where:
Base-Base interactions energy: -37.891
where: short stacking energy: -36.816
Base-Backbone interact. energy: -0.003
local terms energy: -63.243428
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -19.168
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: -7.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -94.786902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.786902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.786902 (E_RNA)
where:
Base-Base interactions energy: -35.036
where: short stacking energy: -25.379
Base-Backbone interact. energy: -0.148
local terms energy: -59.603266
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -18.117
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -2.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -105.398673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.398673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.398673 (E_RNA)
where:
Base-Base interactions energy: -35.952
where: short stacking energy: -35.952
Base-Backbone interact. energy: -0.060
local terms energy: -69.386997
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -19.821
flat angles C4'-P-C4' energy: -16.316
flat angles P-C4'-P energy: -8.592
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: 9, replica: 2
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -87.056558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.056558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.056558 (E_RNA)
where:
Base-Base interactions energy: -36.973
where: short stacking energy: -20.760
Base-Backbone interact. energy: 0.828
local terms energy: -50.912337
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -15.951
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -6.155
tors. eta vs tors. theta energy: -2.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -81.093484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.093484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.093484 (E_RNA)
where:
Base-Base interactions energy: -28.617
where: short stacking energy: -24.154
Base-Backbone interact. energy: 1.027
local terms energy: -53.502617
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -14.716
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: 0.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -259.063122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.063122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.063122 (E_RNA)
where:
Base-Base interactions energy: -174.881
where: short stacking energy: -67.600
Base-Backbone interact. energy: -1.427
local terms energy: -82.755401
where:
bonds (distance) C4'-P energy: -16.905
bonds (distance) P-C4' energy: -13.360
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -15.411
tors. eta vs tors. theta energy: -21.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -250.625175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.625175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.625175 (E_RNA)
where:
Base-Base interactions energy: -161.916
where: short stacking energy: -75.307
Base-Backbone interact. energy: -0.595
local terms energy: -88.113756
where:
bonds (distance) C4'-P energy: -17.655
bonds (distance) P-C4' energy: -18.291
flat angles C4'-P-C4' energy: -15.460
flat angles P-C4'-P energy: -13.021
tors. eta vs tors. theta energy: -23.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -245.695528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.695528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.695528 (E_RNA)
where:
Base-Base interactions energy: -161.533
where: short stacking energy: -76.277
Base-Backbone interact. energy: -0.219
local terms energy: -83.943214
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -17.666
flat angles C4'-P-C4' energy: -17.901
flat angles P-C4'-P energy: -11.522
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: 4, replica: 5
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -205.519266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.519266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.519266 (E_RNA)
where:
Base-Base interactions energy: -127.486
where: short stacking energy: -61.091
Base-Backbone interact. energy: -0.025
local terms energy: -78.007984
where:
bonds (distance) C4'-P energy: -17.315
bonds (distance) P-C4' energy: -10.674
flat angles C4'-P-C4' energy: -17.951
flat angles P-C4'-P energy: -11.599
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: 5, replica: 1
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -182.187903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.187903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.187903 (E_RNA)
where:
Base-Base interactions energy: -109.887
where: short stacking energy: -49.001
Base-Backbone interact. energy: -0.147
local terms energy: -72.153786
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -17.338
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -9.200
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: 6, replica: 3
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -119.973338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.973338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.973338 (E_RNA)
where:
Base-Base interactions energy: -49.700
where: short stacking energy: -49.700
Base-Backbone interact. energy: -0.003
local terms energy: -70.270442
where:
bonds (distance) C4'-P energy: -17.752
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -17.729
flat angles P-C4'-P energy: -3.749
tors. eta vs tors. theta energy: -16.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -100.637977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.637977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.637977 (E_RNA)
where:
Base-Base interactions energy: -40.524
where: short stacking energy: -40.524
Base-Backbone interact. energy: 0.051
local terms energy: -60.164946
where:
bonds (distance) C4'-P energy: -15.934
bonds (distance) P-C4' energy: -17.193
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -9.570
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: 2
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -90.938006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.938006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.938006 (E_RNA)
where:
Base-Base interactions energy: -31.450
where: short stacking energy: -31.450
Base-Backbone interact. energy: -0.114
local terms energy: -59.373433
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -17.590
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -6.258
tors. eta vs tors. theta energy: -5.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -88.349817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.349817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.349817 (E_RNA)
where:
Base-Base interactions energy: -31.351
where: short stacking energy: -24.580
Base-Backbone interact. energy: -0.360
local terms energy: -56.638611
where:
bonds (distance) C4'-P energy: -17.550
bonds (distance) P-C4' energy: -15.756
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -6.130
tors. eta vs tors. theta energy: -2.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -95.439772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.439772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.439772 (E_RNA)
where:
Base-Base interactions energy: -52.146
where: short stacking energy: -29.417
Base-Backbone interact. energy: -0.341
local terms energy: -42.952350
where:
bonds (distance) C4'-P energy: -9.150
bonds (distance) P-C4' energy: -7.295
flat angles C4'-P-C4' energy: -12.015
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -4.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -259.298104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.298104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.298104 (E_RNA)
where:
Base-Base interactions energy: -165.738
where: short stacking energy: -82.856
Base-Backbone interact. energy: -0.002
local terms energy: -93.557432
where:
bonds (distance) C4'-P energy: -18.172
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -18.361
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -27.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -246.200328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.200328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.200328 (E_RNA)
where:
Base-Base interactions energy: -166.656
where: short stacking energy: -74.010
Base-Backbone interact. energy: 0.478
local terms energy: -80.022500
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -12.991
flat angles C4'-P-C4' energy: -17.256
flat angles P-C4'-P energy: -15.571
tors. eta vs tors. theta energy: -20.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -240.902343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.902343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.902343 (E_RNA)
where:
Base-Base interactions energy: -158.362
where: short stacking energy: -69.006
Base-Backbone interact. energy: -1.211
local terms energy: -81.329003
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -9.074
tors. eta vs tors. theta energy: -23.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -192.482138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.482138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.482138 (E_RNA)
where:
Base-Base interactions energy: -114.167
where: short stacking energy: -53.469
Base-Backbone interact. energy: -0.006
local terms energy: -78.309339
where:
bonds (distance) C4'-P energy: -17.220
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -16.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -192.108437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.108437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.108437 (E_RNA)
where:
Base-Base interactions energy: -117.936
where: short stacking energy: -63.600
Base-Backbone interact. energy: -0.110
local terms energy: -74.061660
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -19.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -106.294782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.294782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.294782 (E_RNA)
where:
Base-Base interactions energy: -42.841
where: short stacking energy: -37.736
Base-Backbone interact. energy: -0.344
local terms energy: -63.109887
where:
bonds (distance) C4'-P energy: -18.628
bonds (distance) P-C4' energy: -12.650
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: -2.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -92.959258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.959258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.959258 (E_RNA)
where:
Base-Base interactions energy: -35.805
where: short stacking energy: -32.370
Base-Backbone interact. energy: -0.016
local terms energy: -57.138570
where:
bonds (distance) C4'-P energy: -16.786
bonds (distance) P-C4' energy: -14.235
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: -3.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -100.278957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.278957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.278957 (E_RNA)
where:
Base-Base interactions energy: -36.391
where: short stacking energy: -36.391
Base-Backbone interact. energy: -0.150
local terms energy: -63.738027
where:
bonds (distance) C4'-P energy: -19.568
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: -4.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -85.569944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.569944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.569944 (E_RNA)
where:
Base-Base interactions energy: -32.166
where: short stacking energy: -23.324
Base-Backbone interact. energy: -0.329
local terms energy: -53.075639
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -7.944
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: 10, replica: 10
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -82.335193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.335193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.335193 (E_RNA)
where:
Base-Base interactions energy: -34.658
where: short stacking energy: -26.340
Base-Backbone interact. energy: -1.208
local terms energy: -46.469622
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -13.508
flat angles C4'-P-C4' energy: -9.755
flat angles P-C4'-P energy: -3.595
tors. eta vs tors. theta energy: -4.019
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: 9
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -264.085733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.085733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.085733 (E_RNA)
where:
Base-Base interactions energy: -171.502
where: short stacking energy: -82.770
Base-Backbone interact. energy: -0.533
local terms energy: -92.049911
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -16.040
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: 2, replica: 7
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -234.992603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.992603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.992603 (E_RNA)
where:
Base-Base interactions energy: -149.005
where: short stacking energy: -66.297
Base-Backbone interact. energy: -0.129
local terms energy: -85.858733
where:
bonds (distance) C4'-P energy: -18.064
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -21.389
flat angles P-C4'-P energy: -14.460
tors. eta vs tors. theta energy: -15.847
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: 3, replica: 6
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -250.215730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.215730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.215730 (E_RNA)
where:
Base-Base interactions energy: -164.319
where: short stacking energy: -69.900
Base-Backbone interact. energy: -0.813
local terms energy: -85.084142
where:
bonds (distance) C4'-P energy: -17.084
bonds (distance) P-C4' energy: -17.198
flat angles C4'-P-C4' energy: -16.530
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -23.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -180.918109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.918109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.918109 (E_RNA)
where:
Base-Base interactions energy: -114.776
where: short stacking energy: -52.059
Base-Backbone interact. energy: -0.051
local terms energy: -66.091302
where:
bonds (distance) C4'-P energy: -11.103
bonds (distance) P-C4' energy: -13.245
flat angles C4'-P-C4' energy: -17.321
flat angles P-C4'-P energy: -12.602
tors. eta vs tors. theta energy: -11.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -191.559693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.559693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.559693 (E_RNA)
where:
Base-Base interactions energy: -115.795
where: short stacking energy: -57.156
Base-Backbone interact. energy: 0.682
local terms energy: -76.447060
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -16.307
flat angles P-C4'-P energy: -12.245
tors. eta vs tors. theta energy: -19.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -97.379086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.379086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.379086 (E_RNA)
where:
Base-Base interactions energy: -42.532
where: short stacking energy: -40.452
Base-Backbone interact. energy: -0.124
local terms energy: -54.722396
where:
bonds (distance) C4'-P energy: -11.541
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -11.766
flat angles P-C4'-P energy: -7.731
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: 7, replica: 3
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -92.887243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.887243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.887243 (E_RNA)
where:
Base-Base interactions energy: -35.645
where: short stacking energy: -31.515
Base-Backbone interact. energy: -0.084
local terms energy: -57.158204
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -12.105
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -9.281
tors. eta vs tors. theta energy: -4.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -93.486862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.486862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.486862 (E_RNA)
where:
Base-Base interactions energy: -38.513
where: short stacking energy: -36.171
Base-Backbone interact. energy: -0.013
local terms energy: -54.960549
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -8.779
flat angles C4'-P-C4' energy: -9.576
flat angles P-C4'-P energy: -13.660
tors. eta vs tors. theta energy: -7.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -90.264119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.264119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.264119 (E_RNA)
where:
Base-Base interactions energy: -33.272
where: short stacking energy: -32.971
Base-Backbone interact. energy: 0.314
local terms energy: -57.306374
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -20.159
flat angles C4'-P-C4' energy: -7.656
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -3.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -80.837559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.837559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.837559 (E_RNA)
where:
Base-Base interactions energy: -23.128
where: short stacking energy: -20.536
Base-Backbone interact. energy: -0.143
local terms energy: -57.567098
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -5.941
tors. eta vs tors. theta energy: -4.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -267.799983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.799983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.799983 (E_RNA)
where:
Base-Base interactions energy: -177.280
where: short stacking energy: -82.894
Base-Backbone interact. energy: -0.274
local terms energy: -90.246661
where:
bonds (distance) C4'-P energy: -12.354
bonds (distance) P-C4' energy: -17.536
flat angles C4'-P-C4' energy: -20.265
flat angles P-C4'-P energy: -15.808
tors. eta vs tors. theta energy: -24.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -252.759639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.759639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.759639 (E_RNA)
where:
Base-Base interactions energy: -160.248
where: short stacking energy: -68.399
Base-Backbone interact. energy: -0.073
local terms energy: -92.438698
where:
bonds (distance) C4'-P energy: -18.633
bonds (distance) P-C4' energy: -18.657
flat angles C4'-P-C4' energy: -19.616
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: -23.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -241.488734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.488734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.488734 (E_RNA)
where:
Base-Base interactions energy: -157.975
where: short stacking energy: -73.058
Base-Backbone interact. energy: -0.985
local terms energy: -82.528447
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -11.526
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: 5
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -190.412734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.412734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.412734 (E_RNA)
where:
Base-Base interactions energy: -110.331
where: short stacking energy: -49.927
Base-Backbone interact. energy: -0.613
local terms energy: -79.468530
where:
bonds (distance) C4'-P energy: -17.964
bonds (distance) P-C4' energy: -20.345
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -13.391
tors. eta vs tors. theta energy: -11.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -175.092932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.092932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.092932 (E_RNA)
where:
Base-Base interactions energy: -105.654
where: short stacking energy: -58.620
Base-Backbone interact. energy: -0.063
local terms energy: -69.375569
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -13.189
tors. eta vs tors. theta energy: -13.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -142.867815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.867815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.867815 (E_RNA)
where:
Base-Base interactions energy: -81.120
where: short stacking energy: -41.391
Base-Backbone interact. energy: -0.245
local terms energy: -61.502830
where:
bonds (distance) C4'-P energy: -13.421
bonds (distance) P-C4' energy: -17.100
flat angles C4'-P-C4' energy: -19.013
flat angles P-C4'-P energy: -4.573
tors. eta vs tors. theta energy: -7.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -107.441068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.441068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.441068 (E_RNA)
where:
Base-Base interactions energy: -46.309
where: short stacking energy: -38.844
Base-Backbone interact. energy: 0.723
local terms energy: -61.855139
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -9.731
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: 364
Temperature: 1.250000
Total energy: -104.217814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.217814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.217814 (E_RNA)
where:
Base-Base interactions energy: -39.054
where: short stacking energy: -38.391
Base-Backbone interact. energy: -0.062
local terms energy: -65.101818
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -18.083
flat angles C4'-P-C4' energy: -17.527
flat angles P-C4'-P energy: -7.969
tors. eta vs tors. theta energy: -8.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -81.035672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.035672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.035672 (E_RNA)
where:
Base-Base interactions energy: -28.985
where: short stacking energy: -26.717
Base-Backbone interact. energy: -0.329
local terms energy: -51.722081
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -7.071
tors. eta vs tors. theta energy: -1.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -88.317091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.317091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.317091 (E_RNA)
where:
Base-Base interactions energy: -36.167
where: short stacking energy: -32.087
Base-Backbone interact. energy: -0.045
local terms energy: -52.105349
where:
bonds (distance) C4'-P energy: -18.400
bonds (distance) P-C4' energy: -16.714
flat angles C4'-P-C4' energy: -4.487
flat angles P-C4'-P energy: -7.593
tors. eta vs tors. theta energy: -4.911
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: 1, replica: 9
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -253.113261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.113261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.113261 (E_RNA)
where:
Base-Base interactions energy: -162.923
where: short stacking energy: -73.891
Base-Backbone interact. energy: -0.124
local terms energy: -90.066484
where:
bonds (distance) C4'-P energy: -17.473
bonds (distance) P-C4' energy: -18.040
flat angles C4'-P-C4' energy: -20.585
flat angles P-C4'-P energy: -12.012
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: 2, replica: 6
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -252.772325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.772325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.772325 (E_RNA)
where:
Base-Base interactions energy: -165.025
where: short stacking energy: -80.048
Base-Backbone interact. energy: -0.244
local terms energy: -87.503203
where:
bonds (distance) C4'-P energy: -17.416
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -18.043
flat angles P-C4'-P energy: -12.711
tors. eta vs tors. theta energy: -23.061
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: 3, replica: 7
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -243.228308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.228308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.228308 (E_RNA)
where:
Base-Base interactions energy: -159.110
where: short stacking energy: -74.219
Base-Backbone interact. energy: -0.158
local terms energy: -83.960446
where:
bonds (distance) C4'-P energy: -16.848
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -17.940
flat angles P-C4'-P energy: -13.115
tors. eta vs tors. theta energy: -23.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -192.164141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.164141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.164141 (E_RNA)
where:
Base-Base interactions energy: -120.645
where: short stacking energy: -44.375
Base-Backbone interact. energy: -0.080
local terms energy: -71.440080
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -18.413
flat angles C4'-P-C4' energy: -11.862
flat angles P-C4'-P energy: -7.560
tors. eta vs tors. theta energy: -17.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -216.875262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.875262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.875262 (E_RNA)
where:
Base-Base interactions energy: -140.077
where: short stacking energy: -59.802
Base-Backbone interact. energy: -0.017
local terms energy: -76.781295
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -18.757
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -15.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -127.468826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.468826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.468826 (E_RNA)
where:
Base-Base interactions energy: -65.791
where: short stacking energy: -33.966
Base-Backbone interact. energy: -0.110
local terms energy: -61.568461
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -13.877
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -7.511
tors. eta vs tors. theta energy: -8.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -94.785023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.785023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.785023 (E_RNA)
where:
Base-Base interactions energy: -37.321
where: short stacking energy: -35.445
Base-Backbone interact. energy: 2.804
local terms energy: -60.268597
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -3.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -89.063189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.063189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.063189 (E_RNA)
where:
Base-Base interactions energy: -33.981
where: short stacking energy: -30.674
Base-Backbone interact. energy: -0.305
local terms energy: -54.777329
where:
bonds (distance) C4'-P energy: -16.505
bonds (distance) P-C4' energy: -19.384
flat angles C4'-P-C4' energy: -11.330
flat angles P-C4'-P energy: -5.813
tors. eta vs tors. theta energy: -1.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -82.620696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.620696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.620696 (E_RNA)
where:
Base-Base interactions energy: -30.382
where: short stacking energy: -24.482
Base-Backbone interact. energy: -0.173
local terms energy: -52.065317
where:
bonds (distance) C4'-P energy: -11.597
bonds (distance) P-C4' energy: -17.999
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -6.798
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: 4
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -89.198774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.198774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.198774 (E_RNA)
where:
Base-Base interactions energy: -30.277
where: short stacking energy: -17.860
Base-Backbone interact. energy: -0.036
local terms energy: -58.885333
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -18.901
flat angles C4'-P-C4' energy: -18.391
flat angles P-C4'-P energy: -7.342
tors. eta vs tors. theta energy: -1.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -262.033128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.033128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.033128 (E_RNA)
where:
Base-Base interactions energy: -168.021
where: short stacking energy: -83.823
Base-Backbone interact. energy: -0.074
local terms energy: -93.938515
where:
bonds (distance) C4'-P energy: -17.916
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -12.670
tors. eta vs tors. theta energy: -28.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -257.154183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.154183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.154183 (E_RNA)
where:
Base-Base interactions energy: -164.339
where: short stacking energy: -80.312
Base-Backbone interact. energy: -0.119
local terms energy: -92.696116
where:
bonds (distance) C4'-P energy: -19.679
bonds (distance) P-C4' energy: -16.814
flat angles C4'-P-C4' energy: -19.759
flat angles P-C4'-P energy: -15.086
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: 3, replica: 7
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -246.889010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.889010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.889010 (E_RNA)
where:
Base-Base interactions energy: -163.811
where: short stacking energy: -56.894
Base-Backbone interact. energy: 0.276
local terms energy: -83.353958
where:
bonds (distance) C4'-P energy: -18.781
bonds (distance) P-C4' energy: -16.205
flat angles C4'-P-C4' energy: -17.881
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -18.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -197.211901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.211901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.211901 (E_RNA)
where:
Base-Base interactions energy: -114.894
where: short stacking energy: -56.563
Base-Backbone interact. energy: -0.400
local terms energy: -81.917407
where:
bonds (distance) C4'-P energy: -16.488
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -13.518
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: 5
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -211.450582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.450582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.450582 (E_RNA)
where:
Base-Base interactions energy: -138.691
where: short stacking energy: -61.915
Base-Backbone interact. energy: -0.018
local terms energy: -72.741519
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -19.056
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -9.191
tors. eta vs tors. theta energy: -16.436
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: 2
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -114.747500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.747500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.747500 (E_RNA)
where:
Base-Base interactions energy: -62.711
where: short stacking energy: -19.873
Base-Backbone interact. energy: -1.047
local terms energy: -50.989132
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -5.587
tors. eta vs tors. theta energy: -2.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -94.476975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.476975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.476975 (E_RNA)
where:
Base-Base interactions energy: -35.453
where: short stacking energy: -20.924
Base-Backbone interact. energy: 0.025
local terms energy: -59.049231
where:
bonds (distance) C4'-P energy: -16.409
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -0.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -97.418681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.418681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.418681 (E_RNA)
where:
Base-Base interactions energy: -42.853
where: short stacking energy: -42.853
Base-Backbone interact. energy: -0.207
local terms energy: -54.358123
where:
bonds (distance) C4'-P energy: -16.778
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -10.384
flat angles P-C4'-P energy: -5.886
tors. eta vs tors. theta energy: -5.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -96.765904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.765904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.765904 (E_RNA)
where:
Base-Base interactions energy: -40.912
where: short stacking energy: -34.186
Base-Backbone interact. energy: 1.486
local terms energy: -57.340011
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -13.453
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: -10.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -85.953018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.953018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.953018 (E_RNA)
where:
Base-Base interactions energy: -31.418
where: short stacking energy: -27.178
Base-Backbone interact. energy: -0.029
local terms energy: -54.506319
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -12.571
flat angles C4'-P-C4' energy: -18.443
flat angles P-C4'-P energy: -11.564
tors. eta vs tors. theta energy: 3.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -258.813378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.813378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.813378 (E_RNA)
where:
Base-Base interactions energy: -165.841
where: short stacking energy: -83.491
Base-Backbone interact. energy: -0.031
local terms energy: -92.941653
where:
bonds (distance) C4'-P energy: -17.710
bonds (distance) P-C4' energy: -16.330
flat angles C4'-P-C4' energy: -17.124
flat angles P-C4'-P energy: -14.969
tors. eta vs tors. theta energy: -26.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -250.856191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.856191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.856191 (E_RNA)
where:
Base-Base interactions energy: -166.312
where: short stacking energy: -68.340
Base-Backbone interact. energy: -0.561
local terms energy: -83.983443
where:
bonds (distance) C4'-P energy: -17.879
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -18.483
flat angles P-C4'-P energy: -11.779
tors. eta vs tors. theta energy: -21.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -248.465436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.465436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.465436 (E_RNA)
where:
Base-Base interactions energy: -162.250
where: short stacking energy: -77.909
Base-Backbone interact. energy: -0.069
local terms energy: -86.147027
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -17.990
flat angles C4'-P-C4' energy: -18.484
flat angles P-C4'-P energy: -14.071
tors. eta vs tors. theta energy: -21.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -210.314736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.314736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.314736 (E_RNA)
where:
Base-Base interactions energy: -137.638
where: short stacking energy: -63.971
Base-Backbone interact. energy: -0.180
local terms energy: -72.496953
where:
bonds (distance) C4'-P energy: -12.572
bonds (distance) P-C4' energy: -18.973
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -6.871
tors. eta vs tors. theta energy: -19.079
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: 367
Temperature: 1.100000
Total energy: -181.629526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.629526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.629526 (E_RNA)
where:
Base-Base interactions energy: -103.152
where: short stacking energy: -46.964
Base-Backbone interact. energy: -0.432
local terms energy: -78.045272
where:
bonds (distance) C4'-P energy: -16.197
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -13.368
tors. eta vs tors. theta energy: -13.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -101.613989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.613989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.613989 (E_RNA)
where:
Base-Base interactions energy: -41.577
where: short stacking energy: -39.170
Base-Backbone interact. energy: -0.130
local terms energy: -59.906963
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -16.753
flat angles P-C4'-P energy: -3.408
tors. eta vs tors. theta energy: -8.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -97.103602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.103602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.103602 (E_RNA)
where:
Base-Base interactions energy: -41.851
where: short stacking energy: -33.427
Base-Backbone interact. energy: -0.630
local terms energy: -54.622803
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -0.697
tors. eta vs tors. theta energy: -7.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -95.684661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.684661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.684661 (E_RNA)
where:
Base-Base interactions energy: -41.028
where: short stacking energy: -40.479
Base-Backbone interact. energy: -0.100
local terms energy: -54.556480
where:
bonds (distance) C4'-P energy: -13.398
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -6.138
flat angles P-C4'-P energy: -7.149
tors. eta vs tors. theta energy: -10.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -90.279823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.279823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.279823 (E_RNA)
where:
Base-Base interactions energy: -37.650
where: short stacking energy: -37.650
Base-Backbone interact. energy: -0.009
local terms energy: -52.620847
where:
bonds (distance) C4'-P energy: -7.907
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -8.113
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -9.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -81.056301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.056301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.056301 (E_RNA)
where:
Base-Base interactions energy: -29.276
where: short stacking energy: -24.968
Base-Backbone interact. energy: -0.216
local terms energy: -51.564440
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -16.734
flat angles P-C4'-P energy: -5.103
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: 9
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -256.516311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.516311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.516311 (E_RNA)
where:
Base-Base interactions energy: -165.737
where: short stacking energy: -76.668
Base-Backbone interact. energy: -0.017
local terms energy: -90.761942
where:
bonds (distance) C4'-P energy: -17.573
bonds (distance) P-C4' energy: -17.673
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -13.937
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: 2, replica: 6
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -248.017250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.017250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.017250 (E_RNA)
where:
Base-Base interactions energy: -160.108
where: short stacking energy: -69.409
Base-Backbone interact. energy: -0.008
local terms energy: -87.901866
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -18.117
flat angles C4'-P-C4' energy: -17.923
flat angles P-C4'-P energy: -14.001
tors. eta vs tors. theta energy: -22.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -253.983244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.983244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.983244 (E_RNA)
where:
Base-Base interactions energy: -164.227
where: short stacking energy: -80.636
Base-Backbone interact. energy: -0.002
local terms energy: -89.754106
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -19.736
flat angles C4'-P-C4' energy: -21.312
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -23.583
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: 5
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -220.063253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.063253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.063253 (E_RNA)
where:
Base-Base interactions energy: -138.892
where: short stacking energy: -76.546
Base-Backbone interact. energy: -0.204
local terms energy: -80.967070
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -7.582
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: 5, replica: 2
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -109.211492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.211492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.211492 (E_RNA)
where:
Base-Base interactions energy: -45.888
where: short stacking energy: -44.032
Base-Backbone interact. energy: -0.885
local terms energy: -62.438186
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -8.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -184.195567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.195567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.195567 (E_RNA)
where:
Base-Base interactions energy: -112.725
where: short stacking energy: -50.940
Base-Backbone interact. energy: -0.100
local terms energy: -71.371225
where:
bonds (distance) C4'-P energy: -16.964
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -7.657
tors. eta vs tors. theta energy: -14.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -110.714299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.714299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.714299 (E_RNA)
where:
Base-Base interactions energy: -39.904
where: short stacking energy: -39.904
Base-Backbone interact. energy: -0.019
local terms energy: -70.790710
where:
bonds (distance) C4'-P energy: -19.468
bonds (distance) P-C4' energy: -19.267
flat angles C4'-P-C4' energy: -12.835
flat angles P-C4'-P energy: -8.329
tors. eta vs tors. theta energy: -10.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -84.570472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.570472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.570472 (E_RNA)
where:
Base-Base interactions energy: -29.021
where: short stacking energy: -28.553
Base-Backbone interact. energy: -0.089
local terms energy: -55.460191
where:
bonds (distance) C4'-P energy: -16.914
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -3.593
tors. eta vs tors. theta energy: -2.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -84.092296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.092296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.092296 (E_RNA)
where:
Base-Base interactions energy: -29.941
where: short stacking energy: -26.449
Base-Backbone interact. energy: -0.179
local terms energy: -53.972012
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -20.567
flat angles C4'-P-C4' energy: -8.516
flat angles P-C4'-P energy: -4.121
tors. eta vs tors. theta energy: -5.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -83.269406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.269406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.269406 (E_RNA)
where:
Base-Base interactions energy: -31.516
where: short stacking energy: -30.144
Base-Backbone interact. energy: -0.045
local terms energy: -51.708962
where:
bonds (distance) C4'-P energy: -11.061
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: 1.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -250.957733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.957733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.957733 (E_RNA)
where:
Base-Base interactions energy: -165.180
where: short stacking energy: -73.012
Base-Backbone interact. energy: -0.077
local terms energy: -85.700699
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -19.631
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -14.732
tors. eta vs tors. theta energy: -20.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -247.536249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.536249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.536249 (E_RNA)
where:
Base-Base interactions energy: -160.524
where: short stacking energy: -74.456
Base-Backbone interact. energy: -0.002
local terms energy: -87.010102
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -18.944
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -13.536
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: 3, replica: 6
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -245.179210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.179210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.179210 (E_RNA)
where:
Base-Base interactions energy: -161.574
where: short stacking energy: -68.119
Base-Backbone interact. energy: -0.353
local terms energy: -83.252286
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -19.592
flat angles C4'-P-C4' energy: -19.785
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -18.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -199.247660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.247660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.247660 (E_RNA)
where:
Base-Base interactions energy: -118.489
where: short stacking energy: -65.064
Base-Backbone interact. energy: 0.448
local terms energy: -81.207017
where:
bonds (distance) C4'-P energy: -19.104
bonds (distance) P-C4' energy: -17.462
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -10.304
tors. eta vs tors. theta energy: -17.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -111.853295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.853295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.853295 (E_RNA)
where:
Base-Base interactions energy: -53.738
where: short stacking energy: -40.617
Base-Backbone interact. energy: -0.212
local terms energy: -57.903320
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -11.402
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -4.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -170.766386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.766386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.766386 (E_RNA)
where:
Base-Base interactions energy: -100.457
where: short stacking energy: -54.125
Base-Backbone interact. energy: -0.042
local terms energy: -70.267380
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -17.222
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -14.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -94.862708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.862708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.862708 (E_RNA)
where:
Base-Base interactions energy: -37.509
where: short stacking energy: -30.337
Base-Backbone interact. energy: 0.038
local terms energy: -57.391702
where:
bonds (distance) C4'-P energy: -18.926
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -11.540
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -4.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -83.304708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.304708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.304708 (E_RNA)
where:
Base-Base interactions energy: -32.487
where: short stacking energy: -29.632
Base-Backbone interact. energy: -0.173
local terms energy: -50.644548
where:
bonds (distance) C4'-P energy: -14.962
bonds (distance) P-C4' energy: -14.837
flat angles C4'-P-C4' energy: -10.807
flat angles P-C4'-P energy: -8.886
tors. eta vs tors. theta energy: -1.152
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: 369
Temperature: 1.300000
Total energy: -87.615706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.615706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.615706 (E_RNA)
where:
Base-Base interactions energy: -30.689
where: short stacking energy: -30.689
Base-Backbone interact. energy: -0.004
local terms energy: -56.922703
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -12.647
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -5.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -99.285667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.285667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.285667 (E_RNA)
where:
Base-Base interactions energy: -38.999
where: short stacking energy: -27.926
Base-Backbone interact. energy: -0.009
local terms energy: -60.277830
where:
bonds (distance) C4'-P energy: -18.441
bonds (distance) P-C4' energy: -11.049
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -11.868
tors. eta vs tors. theta energy: -5.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -254.748707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.748707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.748707 (E_RNA)
where:
Base-Base interactions energy: -163.181
where: short stacking energy: -76.249
Base-Backbone interact. energy: -0.208
local terms energy: -91.360072
where:
bonds (distance) C4'-P energy: -17.697
bonds (distance) P-C4' energy: -19.926
flat angles C4'-P-C4' energy: -17.734
flat angles P-C4'-P energy: -12.689
tors. eta vs tors. theta energy: -23.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -242.489251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.489251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.489251 (E_RNA)
where:
Base-Base interactions energy: -156.764
where: short stacking energy: -78.027
Base-Backbone interact. energy: -0.210
local terms energy: -85.516016
where:
bonds (distance) C4'-P energy: -18.657
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -12.142
tors. eta vs tors. theta energy: -23.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -252.394757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.394757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.394757 (E_RNA)
where:
Base-Base interactions energy: -158.998
where: short stacking energy: -79.030
Base-Backbone interact. energy: -0.159
local terms energy: -93.237785
where:
bonds (distance) C4'-P energy: -18.355
bonds (distance) P-C4' energy: -20.624
flat angles C4'-P-C4' energy: -18.924
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: -22.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -199.668495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.668495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.668495 (E_RNA)
where:
Base-Base interactions energy: -120.524
where: short stacking energy: -62.368
Base-Backbone interact. energy: -0.007
local terms energy: -79.137530
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -20.017
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -16.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -184.547999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.547999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.547999 (E_RNA)
where:
Base-Base interactions energy: -110.246
where: short stacking energy: -47.304
Base-Backbone interact. energy: 1.322
local terms energy: -75.623993
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -20.331
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -9.728
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: 6, replica: 2
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -100.511620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.511620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.511620 (E_RNA)
where:
Base-Base interactions energy: -38.762
where: short stacking energy: -36.429
Base-Backbone interact. energy: -0.186
local terms energy: -61.563368
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -9.449
flat angles C4'-P-C4' energy: -18.336
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -7.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -108.430927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.430927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.430927 (E_RNA)
where:
Base-Base interactions energy: -34.646
where: short stacking energy: -34.646
Base-Backbone interact. energy: -0.031
local terms energy: -73.753960
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -19.334
flat angles C4'-P-C4' energy: -17.494
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -11.772
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: 10
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -87.148666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.148666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.148666 (E_RNA)
where:
Base-Base interactions energy: -25.452
where: short stacking energy: -23.027
Base-Backbone interact. energy: -0.017
local terms energy: -61.680234
where:
bonds (distance) C4'-P energy: -16.259
bonds (distance) P-C4' energy: -20.363
flat angles C4'-P-C4' energy: -10.750
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: -5.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -79.785144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.785144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.785144 (E_RNA)
where:
Base-Base interactions energy: -30.749
where: short stacking energy: -30.749
Base-Backbone interact. energy: -0.117
local terms energy: -48.918593
where:
bonds (distance) C4'-P energy: -6.038
bonds (distance) P-C4' energy: -19.119
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -8.828
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: 10, replica: 4
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -78.816297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.816297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.816297 (E_RNA)
where:
Base-Base interactions energy: -20.826
where: short stacking energy: -20.826
Base-Backbone interact. energy: -0.118
local terms energy: -57.872027
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -12.585
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: 0.842
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: 7
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -263.147269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.147269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.147269 (E_RNA)
where:
Base-Base interactions energy: -170.677
where: short stacking energy: -81.312
Base-Backbone interact. energy: -0.201
local terms energy: -92.269681
where:
bonds (distance) C4'-P energy: -19.397
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -17.998
flat angles P-C4'-P energy: -14.559
tors. eta vs tors. theta energy: -24.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -244.525934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.525934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.525934 (E_RNA)
where:
Base-Base interactions energy: -163.442
where: short stacking energy: -71.224
Base-Backbone interact. energy: -0.022
local terms energy: -81.061358
where:
bonds (distance) C4'-P energy: -13.690
bonds (distance) P-C4' energy: -19.864
flat angles C4'-P-C4' energy: -18.351
flat angles P-C4'-P energy: -11.848
tors. eta vs tors. theta energy: -17.309
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: 3, replica: 9
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -240.814474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.814474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.814474 (E_RNA)
where:
Base-Base interactions energy: -162.197
where: short stacking energy: -67.727
Base-Backbone interact. energy: -0.009
local terms energy: -78.608296
where:
bonds (distance) C4'-P energy: -16.298
bonds (distance) P-C4' energy: -15.254
flat angles C4'-P-C4' energy: -18.328
flat angles P-C4'-P energy: -13.549
tors. eta vs tors. theta energy: -15.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -196.299570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.299570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.299570 (E_RNA)
where:
Base-Base interactions energy: -123.509
where: short stacking energy: -61.914
Base-Backbone interact. energy: -0.068
local terms energy: -72.722532
where:
bonds (distance) C4'-P energy: -15.223
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -17.182
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: 1
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -175.151629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.151629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.151629 (E_RNA)
where:
Base-Base interactions energy: -105.784
where: short stacking energy: -44.294
Base-Backbone interact. energy: -0.009
local terms energy: -69.357939
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -16.229
flat angles P-C4'-P energy: -7.190
tors. eta vs tors. theta energy: -12.643
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: 3
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -101.566971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.566971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.566971 (E_RNA)
where:
Base-Base interactions energy: -42.998
where: short stacking energy: -33.494
Base-Backbone interact. energy: -0.131
local terms energy: -58.438073
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -14.602
flat angles P-C4'-P energy: -9.597
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: 7, replica: 2
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -107.604868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.604868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.604868 (E_RNA)
where:
Base-Base interactions energy: -45.935
where: short stacking energy: -34.860
Base-Backbone interact. energy: -0.146
local terms energy: -61.524508
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -14.334
flat angles C4'-P-C4' energy: -17.490
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: -6.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -90.683208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.683208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.683208 (E_RNA)
where:
Base-Base interactions energy: -35.941
where: short stacking energy: -35.941
Base-Backbone interact. energy: 0.005
local terms energy: -54.747899
where:
bonds (distance) C4'-P energy: -9.809
bonds (distance) P-C4' energy: -19.102
flat angles C4'-P-C4' energy: -15.428
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -0.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -90.020010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.020010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.020010 (E_RNA)
where:
Base-Base interactions energy: -38.199
where: short stacking energy: -38.199
Base-Backbone interact. energy: -0.445
local terms energy: -51.375352
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -11.972
flat angles P-C4'-P energy: -8.737
tors. eta vs tors. theta energy: -4.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -85.514366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.514366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.514366 (E_RNA)
where:
Base-Base interactions energy: -25.199
where: short stacking energy: -21.655
Base-Backbone interact. energy: -0.282
local terms energy: -60.033684
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -14.040
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -3.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -261.123242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.123242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.123242 (E_RNA)
where:
Base-Base interactions energy: -169.522
where: short stacking energy: -79.861
Base-Backbone interact. energy: -0.131
local terms energy: -91.470509
where:
bonds (distance) C4'-P energy: -20.122
bonds (distance) P-C4' energy: -18.509
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -13.658
tors. eta vs tors. theta energy: -23.510
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: 2, replica: 7
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -257.508785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.508785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.508785 (E_RNA)
where:
Base-Base interactions energy: -167.224
where: short stacking energy: -76.182
Base-Backbone interact. energy: 0.059
local terms energy: -90.344307
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -18.650
flat angles P-C4'-P energy: -13.294
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: 3, replica: 9
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -249.170880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.170880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.170880 (E_RNA)
where:
Base-Base interactions energy: -161.325
where: short stacking energy: -73.441
Base-Backbone interact. energy: 0.011
local terms energy: -87.856853
where:
bonds (distance) C4'-P energy: -18.407
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -17.793
flat angles P-C4'-P energy: -15.486
tors. eta vs tors. theta energy: -20.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -197.680983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.680983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.680983 (E_RNA)
where:
Base-Base interactions energy: -113.632
where: short stacking energy: -55.923
Base-Backbone interact. energy: -0.023
local terms energy: -84.025273
where:
bonds (distance) C4'-P energy: -18.019
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -11.067
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: 5, replica: 1
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -199.329996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.329996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.329996 (E_RNA)
where:
Base-Base interactions energy: -118.313
where: short stacking energy: -63.131
Base-Backbone interact. energy: 0.695
local terms energy: -81.712168
where:
bonds (distance) C4'-P energy: -15.872
bonds (distance) P-C4' energy: -19.936
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -20.687
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: 3
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -94.242440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.242440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.242440 (E_RNA)
where:
Base-Base interactions energy: -36.520
where: short stacking energy: -31.194
Base-Backbone interact. energy: -0.331
local terms energy: -57.390957
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -18.852
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -8.070
tors. eta vs tors. theta energy: -3.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -96.143487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.143487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.143487 (E_RNA)
where:
Base-Base interactions energy: -37.473
where: short stacking energy: -26.336
Base-Backbone interact. energy: -1.196
local terms energy: -57.474671
where:
bonds (distance) C4'-P energy: -13.379
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -17.828
flat angles P-C4'-P energy: -8.575
tors. eta vs tors. theta energy: -4.510
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: 2
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -99.591627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.591627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.591627 (E_RNA)
where:
Base-Base interactions energy: -39.224
where: short stacking energy: -26.629
Base-Backbone interact. energy: -0.217
local terms energy: -60.149794
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -15.894
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -7.041
tors. eta vs tors. theta energy: -8.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -86.923879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.923879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.923879 (E_RNA)
where:
Base-Base interactions energy: -33.988
where: short stacking energy: -27.908
Base-Backbone interact. energy: -0.077
local terms energy: -52.859320
where:
bonds (distance) C4'-P energy: -10.413
bonds (distance) P-C4' energy: -10.503
flat angles C4'-P-C4' energy: -18.466
flat angles P-C4'-P energy: -13.074
tors. eta vs tors. theta energy: -0.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -78.729013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.729013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.729013 (E_RNA)
where:
Base-Base interactions energy: -33.149
where: short stacking energy: -33.149
Base-Backbone interact. energy: -0.116
local terms energy: -45.463406
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -12.678
flat angles C4'-P-C4' energy: -13.717
flat angles P-C4'-P energy: -5.640
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: 1, replica: 6
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -266.381333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.381333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.381333 (E_RNA)
where:
Base-Base interactions energy: -179.785
where: short stacking energy: -79.299
Base-Backbone interact. energy: -0.437
local terms energy: -86.159367
where:
bonds (distance) C4'-P energy: -16.241
bonds (distance) P-C4' energy: -18.201
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -9.982
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: 9
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -253.214941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.214941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.214941 (E_RNA)
where:
Base-Base interactions energy: -167.451
where: short stacking energy: -86.966
Base-Backbone interact. energy: -0.260
local terms energy: -85.504558
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -16.553
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: -26.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -232.091737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.091737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.091737 (E_RNA)
where:
Base-Base interactions energy: -150.399
where: short stacking energy: -69.868
Base-Backbone interact. energy: -0.244
local terms energy: -81.449248
where:
bonds (distance) C4'-P energy: -18.272
bonds (distance) P-C4' energy: -17.522
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -18.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -194.454639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.454639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.454639 (E_RNA)
where:
Base-Base interactions energy: -122.709
where: short stacking energy: -55.308
Base-Backbone interact. energy: 0.891
local terms energy: -72.637241
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -13.411
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -14.142
tors. eta vs tors. theta energy: -13.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -187.856154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.856154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.856154 (E_RNA)
where:
Base-Base interactions energy: -111.752
where: short stacking energy: -47.378
Base-Backbone interact. energy: -0.131
local terms energy: -75.973731
where:
bonds (distance) C4'-P energy: -16.972
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -14.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -107.374083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.374083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.374083 (E_RNA)
where:
Base-Base interactions energy: -43.052
where: short stacking energy: -35.406
Base-Backbone interact. energy: 0.436
local terms energy: -64.758856
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: -10.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -115.019405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.019405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.019405 (E_RNA)
where:
Base-Base interactions energy: -53.910
where: short stacking energy: -31.732
Base-Backbone interact. energy: -0.201
local terms energy: -60.908305
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -18.897
flat angles C4'-P-C4' energy: -12.176
flat angles P-C4'-P energy: -5.983
tors. eta vs tors. theta energy: -7.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -92.001993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.001993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.001993 (E_RNA)
where:
Base-Base interactions energy: -32.992
where: short stacking energy: -31.573
Base-Backbone interact. energy: -0.275
local terms energy: -58.734999
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: -5.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -91.623191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.623191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.623191 (E_RNA)
where:
Base-Base interactions energy: -36.724
where: short stacking energy: -22.344
Base-Backbone interact. energy: 0.431
local terms energy: -55.330632
where:
bonds (distance) C4'-P energy: -10.862
bonds (distance) P-C4' energy: -15.141
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: -4.329
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: 10
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -77.880798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.880798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.880798 (E_RNA)
where:
Base-Base interactions energy: -21.648
where: short stacking energy: -21.648
Base-Backbone interact. energy: -0.048
local terms energy: -56.184331
where:
bonds (distance) C4'-P energy: -17.737
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -11.482
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: -0.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -256.253849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.253849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.253849 (E_RNA)
where:
Base-Base interactions energy: -166.138
where: short stacking energy: -81.088
Base-Backbone interact. energy: -0.089
local terms energy: -90.027273
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -20.110
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -11.544
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: 2, replica: 6
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -261.722782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.722782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.722782 (E_RNA)
where:
Base-Base interactions energy: -175.375
where: short stacking energy: -73.572
Base-Backbone interact. energy: -3.077
local terms energy: -83.270386
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -15.923
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -20.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -232.283603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.283603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.283603 (E_RNA)
where:
Base-Base interactions energy: -154.700
where: short stacking energy: -66.565
Base-Backbone interact. energy: -0.084
local terms energy: -77.500372
where:
bonds (distance) C4'-P energy: -17.126
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -15.285
tors. eta vs tors. theta energy: -14.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -194.344530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.344530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.344530 (E_RNA)
where:
Base-Base interactions energy: -119.689
where: short stacking energy: -55.908
Base-Backbone interact. energy: -0.564
local terms energy: -74.091271
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -17.512
flat angles P-C4'-P energy: -7.408
tors. eta vs tors. theta energy: -17.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -200.184413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.184413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.184413 (E_RNA)
where:
Base-Base interactions energy: -124.778
where: short stacking energy: -57.780
Base-Backbone interact. energy: -0.423
local terms energy: -74.983625
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -17.846
flat angles C4'-P-C4' energy: -18.400
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -13.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -112.419214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.419214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.419214 (E_RNA)
where:
Base-Base interactions energy: -46.239
where: short stacking energy: -31.232
Base-Backbone interact. energy: -0.313
local terms energy: -65.867169
where:
bonds (distance) C4'-P energy: -12.705
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -16.648
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -5.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -90.490007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.490007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.490007 (E_RNA)
where:
Base-Base interactions energy: -38.929
where: short stacking energy: -30.398
Base-Backbone interact. energy: -0.553
local terms energy: -51.007193
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -10.368
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -2.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -108.630978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.630978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.630978 (E_RNA)
where:
Base-Base interactions energy: -53.629
where: short stacking energy: -37.321
Base-Backbone interact. energy: -1.246
local terms energy: -53.755780
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -12.156
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -3.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -82.515317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.515317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.515317 (E_RNA)
where:
Base-Base interactions energy: -32.139
where: short stacking energy: -29.711
Base-Backbone interact. energy: -0.563
local terms energy: -49.813089
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -19.217
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -4.110
tors. eta vs tors. theta energy: -2.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -85.628962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.628962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.628962 (E_RNA)
where:
Base-Base interactions energy: -36.760
where: short stacking energy: -21.727
Base-Backbone interact. energy: -0.104
local terms energy: -48.764706
where:
bonds (distance) C4'-P energy: -10.886
bonds (distance) P-C4' energy: -17.326
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: 4.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -256.398788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.398788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.398788 (E_RNA)
where:
Base-Base interactions energy: -167.865
where: short stacking energy: -78.233
Base-Backbone interact. energy: -0.004
local terms energy: -88.530043
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -18.519
flat angles P-C4'-P energy: -14.944
tors. eta vs tors. theta energy: -24.891
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: 7
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -229.563550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.563550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.563550 (E_RNA)
where:
Base-Base interactions energy: -146.649
where: short stacking energy: -63.897
Base-Backbone interact. energy: -0.259
local terms energy: -82.654688
where:
bonds (distance) C4'-P energy: -17.878
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -20.043
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -17.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -251.936898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.936898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.936898 (E_RNA)
where:
Base-Base interactions energy: -168.663
where: short stacking energy: -69.069
Base-Backbone interact. energy: -0.370
local terms energy: -82.903115
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -18.163
flat angles P-C4'-P energy: -12.858
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: 4, replica: 5
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -197.220370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.220370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.220370 (E_RNA)
where:
Base-Base interactions energy: -119.073
where: short stacking energy: -58.208
Base-Backbone interact. energy: -0.109
local terms energy: -78.038393
where:
bonds (distance) C4'-P energy: -13.653
bonds (distance) P-C4' energy: -13.553
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -14.649
tors. eta vs tors. theta energy: -18.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -192.769477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.769477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.769477 (E_RNA)
where:
Base-Base interactions energy: -122.397
where: short stacking energy: -64.945
Base-Backbone interact. energy: -0.580
local terms energy: -69.792667
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -8.385
flat angles C4'-P-C4' energy: -17.406
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -17.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -129.546261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.546261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.546261 (E_RNA)
where:
Base-Base interactions energy: -74.352
where: short stacking energy: -32.266
Base-Backbone interact. energy: -0.192
local terms energy: -55.002257
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -5.657
tors. eta vs tors. theta energy: -4.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -88.899267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.899267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.899267 (E_RNA)
where:
Base-Base interactions energy: -31.292
where: short stacking energy: -31.292
Base-Backbone interact. energy: -0.358
local terms energy: -57.249443
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -18.052
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -4.444
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: 8, replica: 10
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -98.376824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.376824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.376824 (E_RNA)
where:
Base-Base interactions energy: -40.716
where: short stacking energy: -29.488
Base-Backbone interact. energy: -0.054
local terms energy: -57.607165
where:
bonds (distance) C4'-P energy: -15.719
bonds (distance) P-C4' energy: -19.902
flat angles C4'-P-C4' energy: -13.100
flat angles P-C4'-P energy: -3.550
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: 9, replica: 3
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -90.863542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.863542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.863542 (E_RNA)
where:
Base-Base interactions energy: -31.394
where: short stacking energy: -31.394
Base-Backbone interact. energy: -0.160
local terms energy: -59.309757
where:
bonds (distance) C4'-P energy: -16.925
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -5.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -92.499871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.499871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.499871 (E_RNA)
where:
Base-Base interactions energy: -31.982
where: short stacking energy: -31.982
Base-Backbone interact. energy: -0.150
local terms energy: -60.368167
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -12.223
flat angles P-C4'-P energy: -14.503
tors. eta vs tors. theta energy: -5.169
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: 7
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -257.760508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.760508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.760508 (E_RNA)
where:
Base-Base interactions energy: -174.543
where: short stacking energy: -79.709
Base-Backbone interact. energy: 0.428
local terms energy: -83.645437
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -19.101
flat angles C4'-P-C4' energy: -18.240
flat angles P-C4'-P energy: -10.795
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: 2, replica: 9
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -247.139792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.139792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.139792 (E_RNA)
where:
Base-Base interactions energy: -164.115
where: short stacking energy: -80.623
Base-Backbone interact. energy: -0.087
local terms energy: -82.937656
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -15.521
flat angles C4'-P-C4' energy: -16.389
flat angles P-C4'-P energy: -12.494
tors. eta vs tors. theta energy: -23.623
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: 6
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -240.011868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.011868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.011868 (E_RNA)
where:
Base-Base interactions energy: -160.958
where: short stacking energy: -80.380
Base-Backbone interact. energy: -0.005
local terms energy: -79.048392
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -17.628
flat angles P-C4'-P energy: -12.721
tors. eta vs tors. theta energy: -21.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -202.766089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.766089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.766089 (E_RNA)
where:
Base-Base interactions energy: -129.110
where: short stacking energy: -56.363
Base-Backbone interact. energy: -0.515
local terms energy: -73.141842
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -18.776
flat angles P-C4'-P energy: -14.125
tors. eta vs tors. theta energy: -11.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -192.422833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.422833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.422833 (E_RNA)
where:
Base-Base interactions energy: -115.881
where: short stacking energy: -56.874
Base-Backbone interact. energy: -0.001
local terms energy: -76.540847
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -18.607
flat angles C4'-P-C4' energy: -9.749
flat angles P-C4'-P energy: -13.063
tors. eta vs tors. theta energy: -18.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -112.342410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.342410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.342410 (E_RNA)
where:
Base-Base interactions energy: -48.673
where: short stacking energy: -37.473
Base-Backbone interact. energy: -1.224
local terms energy: -62.445554
where:
bonds (distance) C4'-P energy: -18.997
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -11.471
flat angles P-C4'-P energy: -12.994
tors. eta vs tors. theta energy: -3.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -89.774238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.774238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.774238 (E_RNA)
where:
Base-Base interactions energy: -40.487
where: short stacking energy: -30.584
Base-Backbone interact. energy: -0.271
local terms energy: -49.017036
where:
bonds (distance) C4'-P energy: -19.252
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -12.302
flat angles P-C4'-P energy: -5.204
tors. eta vs tors. theta energy: 2.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -89.517070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.517070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.517070 (E_RNA)
where:
Base-Base interactions energy: -27.322
where: short stacking energy: -26.103
Base-Backbone interact. energy: 0.788
local terms energy: -62.982273
where:
bonds (distance) C4'-P energy: -19.534
bonds (distance) P-C4' energy: -12.303
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -12.523
tors. eta vs tors. theta energy: -4.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -79.381582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.381582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.381582 (E_RNA)
where:
Base-Base interactions energy: -24.589
where: short stacking energy: -13.688
Base-Backbone interact. energy: -0.859
local terms energy: -53.933435
where:
bonds (distance) C4'-P energy: -16.587
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -7.083
tors. eta vs tors. theta energy: -1.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -88.807443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.807443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.807443 (E_RNA)
where:
Base-Base interactions energy: -37.493
where: short stacking energy: -16.141
Base-Backbone interact. energy: -1.180
local terms energy: -50.135121
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -11.620
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -12.437
tors. eta vs tors. theta energy: 1.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -268.522885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.522885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.522885 (E_RNA)
where:
Base-Base interactions energy: -173.890
where: short stacking energy: -71.548
Base-Backbone interact. energy: -0.047
local terms energy: -94.585848
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -21.579
flat angles C4'-P-C4' energy: -19.626
flat angles P-C4'-P energy: -13.229
tors. eta vs tors. theta energy: -24.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -251.584187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.584187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.584187 (E_RNA)
where:
Base-Base interactions energy: -168.031
where: short stacking energy: -74.042
Base-Backbone interact. energy: -0.630
local terms energy: -82.923202
where:
bonds (distance) C4'-P energy: -14.423
bonds (distance) P-C4' energy: -18.521
flat angles C4'-P-C4' energy: -16.527
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -24.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -238.177079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.177079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.177079 (E_RNA)
where:
Base-Base interactions energy: -159.898
where: short stacking energy: -75.050
Base-Backbone interact. energy: -0.111
local terms energy: -78.168318
where:
bonds (distance) C4'-P energy: -19.406
bonds (distance) P-C4' energy: -12.623
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -20.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -196.987637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.987637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.987637 (E_RNA)
where:
Base-Base interactions energy: -122.101
where: short stacking energy: -60.559
Base-Backbone interact. energy: -0.005
local terms energy: -74.881517
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -15.647
flat angles C4'-P-C4' energy: -16.202
flat angles P-C4'-P energy: -7.499
tors. eta vs tors. theta energy: -18.827
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: 5
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -206.948321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.948321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.948321 (E_RNA)
where:
Base-Base interactions energy: -134.177
where: short stacking energy: -56.486
Base-Backbone interact. energy: 1.047
local terms energy: -73.818245
where:
bonds (distance) C4'-P energy: -17.437
bonds (distance) P-C4' energy: -19.090
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -7.552
tors. eta vs tors. theta energy: -15.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -105.565767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.565767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.565767 (E_RNA)
where:
Base-Base interactions energy: -43.963
where: short stacking energy: -29.508
Base-Backbone interact. energy: -0.096
local terms energy: -61.507061
where:
bonds (distance) C4'-P energy: -18.491
bonds (distance) P-C4' energy: -11.701
flat angles C4'-P-C4' energy: -10.758
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -8.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -89.336497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.336497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.336497 (E_RNA)
where:
Base-Base interactions energy: -39.708
where: short stacking energy: -25.151
Base-Backbone interact. energy: -0.235
local terms energy: -49.393601
where:
bonds (distance) C4'-P energy: -9.661
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: 2.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -87.176340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.176340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.176340 (E_RNA)
where:
Base-Base interactions energy: -29.173
where: short stacking energy: -25.020
Base-Backbone interact. energy: -0.561
local terms energy: -57.441712
where:
bonds (distance) C4'-P energy: -14.452
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -1.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -86.380909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.380909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.380909 (E_RNA)
where:
Base-Base interactions energy: -27.203
where: short stacking energy: -25.756
Base-Backbone interact. energy: -0.146
local terms energy: -59.031779
where:
bonds (distance) C4'-P energy: -16.466
bonds (distance) P-C4' energy: -17.554
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -0.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -81.057616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.057616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.057616 (E_RNA)
where:
Base-Base interactions energy: -22.133
where: short stacking energy: -18.504
Base-Backbone interact. energy: -0.448
local terms energy: -58.477279
where:
bonds (distance) C4'-P energy: -17.790
bonds (distance) P-C4' energy: -13.193
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -8.642
tors. eta vs tors. theta energy: -3.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -258.650942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.650942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.650942 (E_RNA)
where:
Base-Base interactions energy: -167.939
where: short stacking energy: -73.622
Base-Backbone interact. energy: -0.082
local terms energy: -90.629118
where:
bonds (distance) C4'-P energy: -15.965
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -19.445
flat angles P-C4'-P energy: -13.037
tors. eta vs tors. theta energy: -24.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -252.032861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.032861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.032861 (E_RNA)
where:
Base-Base interactions energy: -169.928
where: short stacking energy: -82.818
Base-Backbone interact. energy: -0.084
local terms energy: -82.020087
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -17.854
flat angles C4'-P-C4' energy: -18.348
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -22.331
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: 6
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -254.894943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.894943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.894943 (E_RNA)
where:
Base-Base interactions energy: -161.832
where: short stacking energy: -81.461
Base-Backbone interact. energy: -0.773
local terms energy: -92.290096
where:
bonds (distance) C4'-P energy: -19.750
bonds (distance) P-C4' energy: -19.227
flat angles C4'-P-C4' energy: -18.640
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -22.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -187.436727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.436727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.436727 (E_RNA)
where:
Base-Base interactions energy: -102.657
where: short stacking energy: -45.174
Base-Backbone interact. energy: -0.345
local terms energy: -84.434567
where:
bonds (distance) C4'-P energy: -18.657
bonds (distance) P-C4' energy: -20.684
flat angles C4'-P-C4' energy: -18.851
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -15.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -102.955670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.955670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.955670 (E_RNA)
where:
Base-Base interactions energy: -40.443
where: short stacking energy: -32.818
Base-Backbone interact. energy: -0.065
local terms energy: -62.448156
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -13.014
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -13.846
tors. eta vs tors. theta energy: -6.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -192.497673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.497673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.497673 (E_RNA)
where:
Base-Base interactions energy: -119.104
where: short stacking energy: -55.746
Base-Backbone interact. energy: -0.012
local terms energy: -73.381874
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -16.012
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -17.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -96.620048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.620048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.620048 (E_RNA)
where:
Base-Base interactions energy: -34.361
where: short stacking energy: -24.234
Base-Backbone interact. energy: 0.869
local terms energy: -63.127485
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -17.766
flat angles C4'-P-C4' energy: -16.291
flat angles P-C4'-P energy: -8.331
tors. eta vs tors. theta energy: -4.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -75.788712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.788712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.788712 (E_RNA)
where:
Base-Base interactions energy: -23.016
where: short stacking energy: -18.819
Base-Backbone interact. energy: 0.923
local terms energy: -53.695990
where:
bonds (distance) C4'-P energy: -16.972
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -8.660
tors. eta vs tors. theta energy: 1.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -85.197213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.197213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.197213 (E_RNA)
where:
Base-Base interactions energy: -31.506
where: short stacking energy: -28.543
Base-Backbone interact. energy: -0.119
local terms energy: -53.572375
where:
bonds (distance) C4'-P energy: -18.401
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -8.846
flat angles P-C4'-P energy: -6.409
tors. eta vs tors. theta energy: -4.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -83.592417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.592417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.592417 (E_RNA)
where:
Base-Base interactions energy: -27.781
where: short stacking energy: -26.739
Base-Backbone interact. energy: -0.152
local terms energy: -55.659101
where:
bonds (distance) C4'-P energy: -10.985
bonds (distance) P-C4' energy: -19.828
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -2.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -253.692479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.692479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.692479 (E_RNA)
where:
Base-Base interactions energy: -167.568
where: short stacking energy: -80.513
Base-Backbone interact. energy: -0.001
local terms energy: -86.123109
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -19.381
flat angles P-C4'-P energy: -11.753
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: 2, replica: 6
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -250.349123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.349123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.349123 (E_RNA)
where:
Base-Base interactions energy: -159.713
where: short stacking energy: -79.169
Base-Backbone interact. energy: -0.079
local terms energy: -90.557985
where:
bonds (distance) C4'-P energy: -18.685
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -18.984
flat angles P-C4'-P energy: -12.077
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: 3, replica: 9
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -253.191940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.191940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.191940 (E_RNA)
where:
Base-Base interactions energy: -161.575
where: short stacking energy: -81.044
Base-Backbone interact. energy: -1.074
local terms energy: -90.542649
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -18.171
flat angles P-C4'-P energy: -16.406
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: 1
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -188.995908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.995908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.995908 (E_RNA)
where:
Base-Base interactions energy: -115.145
where: short stacking energy: -57.922
Base-Backbone interact. energy: 0.100
local terms energy: -73.951435
where:
bonds (distance) C4'-P energy: -10.763
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -18.404
flat angles P-C4'-P energy: -12.717
tors. eta vs tors. theta energy: -17.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -111.774872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.774872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.774872 (E_RNA)
where:
Base-Base interactions energy: -53.247
where: short stacking energy: -38.833
Base-Backbone interact. energy: -0.323
local terms energy: -58.204967
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -4.448
tors. eta vs tors. theta energy: -10.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -207.336278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.336278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.336278 (E_RNA)
where:
Base-Base interactions energy: -131.215
where: short stacking energy: -59.593
Base-Backbone interact. energy: -1.304
local terms energy: -74.816421
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -17.691
flat angles P-C4'-P energy: -13.402
tors. eta vs tors. theta energy: -10.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -98.080750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.080750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.080750 (E_RNA)
where:
Base-Base interactions energy: -31.896
where: short stacking energy: -31.556
Base-Backbone interact. energy: -0.504
local terms energy: -65.680846
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -17.899
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: -9.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -94.690113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.690113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.690113 (E_RNA)
where:
Base-Base interactions energy: -47.586
where: short stacking energy: -26.299
Base-Backbone interact. energy: -0.116
local terms energy: -46.988238
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -2.139
flat angles P-C4'-P energy: -7.037
tors. eta vs tors. theta energy: -6.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -79.962121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.962121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.962121 (E_RNA)
where:
Base-Base interactions energy: -34.041
where: short stacking energy: -20.789
Base-Backbone interact. energy: -1.602
local terms energy: -44.319646
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -11.093
flat angles P-C4'-P energy: -7.082
tors. eta vs tors. theta energy: 0.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -81.918402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.918402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.918402 (E_RNA)
where:
Base-Base interactions energy: -22.289
where: short stacking energy: -21.855
Base-Backbone interact. energy: -0.188
local terms energy: -59.441697
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -16.017
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -7.021
tors. eta vs tors. theta energy: -5.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -252.797799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.797799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.797799 (E_RNA)
where:
Base-Base interactions energy: -166.803
where: short stacking energy: -73.762
Base-Backbone interact. energy: -0.003
local terms energy: -85.991393
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -20.602
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -25.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -248.822241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.822241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.822241 (E_RNA)
where:
Base-Base interactions energy: -166.710
where: short stacking energy: -77.821
Base-Backbone interact. energy: -0.004
local terms energy: -82.107572
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -17.911
flat angles P-C4'-P energy: -12.229
tors. eta vs tors. theta energy: -21.725
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: 380
Temperature: 1.000000
Total energy: -245.224551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.224551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.224551 (E_RNA)
where:
Base-Base interactions energy: -161.088
where: short stacking energy: -78.340
Base-Backbone interact. energy: -0.006
local terms energy: -84.130084
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -14.490
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -24.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -172.368150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.368150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.368150 (E_RNA)
where:
Base-Base interactions energy: -105.329
where: short stacking energy: -52.981
Base-Backbone interact. energy: 0.891
local terms energy: -67.930738
where:
bonds (distance) C4'-P energy: -12.953
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -11.513
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: 5
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -194.587250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.587250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.587250 (E_RNA)
where:
Base-Base interactions energy: -131.719
where: short stacking energy: -63.393
Base-Backbone interact. energy: -0.083
local terms energy: -62.784691
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -11.993
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -6.834
tors. eta vs tors. theta energy: -15.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -106.234013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.234013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.234013 (E_RNA)
where:
Base-Base interactions energy: -39.800
where: short stacking energy: -35.361
Base-Backbone interact. energy: -0.297
local terms energy: -66.136951
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -17.583
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -13.032
tors. eta vs tors. theta energy: -5.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -103.768386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.768386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.768386 (E_RNA)
where:
Base-Base interactions energy: -40.233
where: short stacking energy: -37.799
Base-Backbone interact. energy: -0.262
local terms energy: -63.273471
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -16.408
flat angles C4'-P-C4' energy: -18.840
flat angles P-C4'-P energy: -5.546
tors. eta vs tors. theta energy: -5.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -86.768147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.768147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.768147 (E_RNA)
where:
Base-Base interactions energy: -29.523
where: short stacking energy: -29.523
Base-Backbone interact. energy: -0.555
local terms energy: -56.689937
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -12.530
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -7.959
tors. eta vs tors. theta energy: -3.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -92.745733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.745733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.745733 (E_RNA)
where:
Base-Base interactions energy: -30.367
where: short stacking energy: -26.275
Base-Backbone interact. energy: -0.127
local terms energy: -62.252125
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -7.581
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -14.858
tors. eta vs tors. theta energy: -9.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -85.188703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.188703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.188703 (E_RNA)
where:
Base-Base interactions energy: -34.345
where: short stacking energy: -32.559
Base-Backbone interact. energy: -0.217
local terms energy: -50.627196
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -5.665
tors. eta vs tors. theta energy: 0.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -262.395194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.395194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.395194 (E_RNA)
where:
Base-Base interactions energy: -172.445
where: short stacking energy: -87.933
Base-Backbone interact. energy: -1.196
local terms energy: -88.753850
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -20.289
flat angles P-C4'-P energy: -13.841
tors. eta vs tors. theta energy: -25.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -244.402046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.402046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.402046 (E_RNA)
where:
Base-Base interactions energy: -151.226
where: short stacking energy: -74.562
Base-Backbone interact. energy: -0.016
local terms energy: -93.160260
where:
bonds (distance) C4'-P energy: -17.626
bonds (distance) P-C4' energy: -18.369
flat angles C4'-P-C4' energy: -17.041
flat angles P-C4'-P energy: -14.933
tors. eta vs tors. theta energy: -25.191
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: 3, replica: 7
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -242.905546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.905546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.905546 (E_RNA)
where:
Base-Base interactions energy: -163.008
where: short stacking energy: -71.056
Base-Backbone interact. energy: -0.332
local terms energy: -79.565594
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -24.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -208.314729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.314729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.314729 (E_RNA)
where:
Base-Base interactions energy: -131.505
where: short stacking energy: -68.131
Base-Backbone interact. energy: -0.394
local terms energy: -76.415614
where:
bonds (distance) C4'-P energy: -16.091
bonds (distance) P-C4' energy: -17.388
flat angles C4'-P-C4' energy: -15.250
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -15.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -172.170572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.170572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.170572 (E_RNA)
where:
Base-Base interactions energy: -112.975
where: short stacking energy: -51.172
Base-Backbone interact. energy: -0.162
local terms energy: -59.033060
where:
bonds (distance) C4'-P energy: -14.895
bonds (distance) P-C4' energy: -11.352
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -9.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -114.920996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.920996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.920996 (E_RNA)
where:
Base-Base interactions energy: -46.440
where: short stacking energy: -46.440
Base-Backbone interact. energy: -0.081
local terms energy: -68.400229
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -17.650
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -10.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -110.280915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.280915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.280915 (E_RNA)
where:
Base-Base interactions energy: -51.800
where: short stacking energy: -35.209
Base-Backbone interact. energy: -1.085
local terms energy: -57.395703
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -15.168
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -10.990
tors. eta vs tors. theta energy: -3.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -91.541313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.541313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.541313 (E_RNA)
where:
Base-Base interactions energy: -32.876
where: short stacking energy: -32.876
Base-Backbone interact. energy: 0.344
local terms energy: -59.009360
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -14.481
flat angles C4'-P-C4' energy: -17.970
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -2.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -81.313025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.313025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.313025 (E_RNA)
where:
Base-Base interactions energy: -20.621
where: short stacking energy: -20.005
Base-Backbone interact. energy: -1.972
local terms energy: -58.719736
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -11.530
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -3.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -86.036758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.036758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.036758 (E_RNA)
where:
Base-Base interactions energy: -27.604
where: short stacking energy: -27.604
Base-Backbone interact. energy: -1.016
local terms energy: -57.416443
where:
bonds (distance) C4'-P energy: -17.871
bonds (distance) P-C4' energy: -19.576
flat angles C4'-P-C4' energy: -10.109
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: 0.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -258.521832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.521832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.521832 (E_RNA)
where:
Base-Base interactions energy: -166.802
where: short stacking energy: -77.089
Base-Backbone interact. energy: -0.002
local terms energy: -91.717688
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -19.002
flat angles C4'-P-C4' energy: -16.884
flat angles P-C4'-P energy: -14.892
tors. eta vs tors. theta energy: -24.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -252.987504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.987504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.987504 (E_RNA)
where:
Base-Base interactions energy: -162.672
where: short stacking energy: -69.260
Base-Backbone interact. energy: -0.004
local terms energy: -90.311521
where:
bonds (distance) C4'-P energy: -19.352
bonds (distance) P-C4' energy: -19.644
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -24.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -227.877213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.877213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.877213 (E_RNA)
where:
Base-Base interactions energy: -145.706
where: short stacking energy: -66.454
Base-Backbone interact. energy: 0.995
local terms energy: -83.166238
where:
bonds (distance) C4'-P energy: -18.048
bonds (distance) P-C4' energy: -19.760
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -8.946
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: 7
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -233.793082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.793082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.793082 (E_RNA)
where:
Base-Base interactions energy: -154.231
where: short stacking energy: -77.031
Base-Backbone interact. energy: 0.266
local terms energy: -79.828221
where:
bonds (distance) C4'-P energy: -10.756
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -20.488
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -18.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -196.298814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.298814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.298814 (E_RNA)
where:
Base-Base interactions energy: -111.682
where: short stacking energy: -55.022
Base-Backbone interact. energy: -1.948
local terms energy: -82.668539
where:
bonds (distance) C4'-P energy: -19.654
bonds (distance) P-C4' energy: -19.249
flat angles C4'-P-C4' energy: -18.332
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -15.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -103.438959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.438959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.438959 (E_RNA)
where:
Base-Base interactions energy: -38.560
where: short stacking energy: -38.560
Base-Backbone interact. energy: -0.256
local terms energy: -64.622815
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -18.712
flat angles C4'-P-C4' energy: -11.423
flat angles P-C4'-P energy: -10.628
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: 7, replica: 2
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -106.791542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.791542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.791542 (E_RNA)
where:
Base-Base interactions energy: -50.078
where: short stacking energy: -19.514
Base-Backbone interact. energy: 1.279
local terms energy: -57.992932
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -17.282
flat angles P-C4'-P energy: -8.424
tors. eta vs tors. theta energy: 1.578
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: 8, replica: 4
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -85.214972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.214972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.214972 (E_RNA)
where:
Base-Base interactions energy: -33.856
where: short stacking energy: -30.118
Base-Backbone interact. energy: 0.503
local terms energy: -51.862409
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -0.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -87.852271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.852271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.852271 (E_RNA)
where:
Base-Base interactions energy: -34.154
where: short stacking energy: -22.067
Base-Backbone interact. energy: -0.135
local terms energy: -53.563926
where:
bonds (distance) C4'-P energy: -9.614
bonds (distance) P-C4' energy: -18.684
flat angles C4'-P-C4' energy: -15.639
flat angles P-C4'-P energy: -6.858
tors. eta vs tors. theta energy: -2.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -84.795588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.795588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.795588 (E_RNA)
where:
Base-Base interactions energy: -26.486
where: short stacking energy: -26.486
Base-Backbone interact. energy: -0.170
local terms energy: -58.139613
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -11.329
flat angles P-C4'-P energy: -13.182
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: 1, replica: 6
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -258.036814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.036814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.036814 (E_RNA)
where:
Base-Base interactions energy: -171.932
where: short stacking energy: -67.015
Base-Backbone interact. energy: -0.460
local terms energy: -85.643945
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -18.901
flat angles C4'-P-C4' energy: -19.636
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -20.361
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: 5
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -232.750092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.750092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.750092 (E_RNA)
where:
Base-Base interactions energy: -149.364
where: short stacking energy: -64.162
Base-Backbone interact. energy: -0.734
local terms energy: -82.652488
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -17.733
flat angles P-C4'-P energy: -15.874
tors. eta vs tors. theta energy: -18.433
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: 9
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -248.919226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.919226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.919226 (E_RNA)
where:
Base-Base interactions energy: -168.283
where: short stacking energy: -74.833
Base-Backbone interact. energy: 0.961
local terms energy: -81.597101
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -17.598
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: -20.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -236.070099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.070099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.070099 (E_RNA)
where:
Base-Base interactions energy: -151.489
where: short stacking energy: -70.551
Base-Backbone interact. energy: -0.711
local terms energy: -83.870713
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -17.795
flat angles C4'-P-C4' energy: -17.943
flat angles P-C4'-P energy: -11.860
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: 5, replica: 1
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -183.367997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.367997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.367997 (E_RNA)
where:
Base-Base interactions energy: -110.141
where: short stacking energy: -49.216
Base-Backbone interact. energy: -0.442
local terms energy: -72.784858
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -16.693
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -17.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -104.589694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.589694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.589694 (E_RNA)
where:
Base-Base interactions energy: -42.274
where: short stacking energy: -39.362
Base-Backbone interact. energy: -0.460
local terms energy: -61.856176
where:
bonds (distance) C4'-P energy: -11.142
bonds (distance) P-C4' energy: -13.383
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -12.271
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: 3
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -100.364479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.364479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.364479 (E_RNA)
where:
Base-Base interactions energy: -32.906
where: short stacking energy: -31.971
Base-Backbone interact. energy: -0.238
local terms energy: -67.221086
where:
bonds (distance) C4'-P energy: -19.721
bonds (distance) P-C4' energy: -18.098
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -2.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -89.982455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.982455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.982455 (E_RNA)
where:
Base-Base interactions energy: -45.587
where: short stacking energy: -28.042
Base-Backbone interact. energy: -0.423
local terms energy: -43.972523
where:
bonds (distance) C4'-P energy: -17.246
bonds (distance) P-C4' energy: -10.382
flat angles C4'-P-C4' energy: -11.469
flat angles P-C4'-P energy: -6.777
tors. eta vs tors. theta energy: 1.901
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: 4
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -91.629141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.629141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.629141 (E_RNA)
where:
Base-Base interactions energy: -36.716
where: short stacking energy: -30.396
Base-Backbone interact. energy: -0.013
local terms energy: -54.900662
where:
bonds (distance) C4'-P energy: -7.267
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -3.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -93.680078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.680078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.680078 (E_RNA)
where:
Base-Base interactions energy: -35.288
where: short stacking energy: -34.858
Base-Backbone interact. energy: -0.918
local terms energy: -57.474810
where:
bonds (distance) C4'-P energy: -17.573
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -3.787
tors. eta vs tors. theta energy: -4.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -260.349305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.349305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.349305 (E_RNA)
where:
Base-Base interactions energy: -174.279
where: short stacking energy: -70.830
Base-Backbone interact. energy: -0.218
local terms energy: -85.852255
where:
bonds (distance) C4'-P energy: -18.980
bonds (distance) P-C4' energy: -18.974
flat angles C4'-P-C4' energy: -17.607
flat angles P-C4'-P energy: -9.567
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: 2, replica: 5
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -237.905930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.905930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.905930 (E_RNA)
where:
Base-Base interactions energy: -154.546
where: short stacking energy: -64.008
Base-Backbone interact. energy: -0.093
local terms energy: -83.266699
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -19.231
flat angles C4'-P-C4' energy: -19.017
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -18.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -241.480773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.480773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.480773 (E_RNA)
where:
Base-Base interactions energy: -160.776
where: short stacking energy: -76.985
Base-Backbone interact. energy: -0.048
local terms energy: -80.657335
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -13.257
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -14.866
tors. eta vs tors. theta energy: -24.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -227.018983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.018983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.018983 (E_RNA)
where:
Base-Base interactions energy: -153.985
where: short stacking energy: -64.148
Base-Backbone interact. energy: -0.203
local terms energy: -72.831364
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -16.708
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: -18.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -112.922423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.922423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.922423 (E_RNA)
where:
Base-Base interactions energy: -48.600
where: short stacking energy: -34.296
Base-Backbone interact. energy: -1.432
local terms energy: -62.889695
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -19.552
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: -3.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -157.520621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.520621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.520621 (E_RNA)
where:
Base-Base interactions energy: -92.359
where: short stacking energy: -40.831
Base-Backbone interact. energy: 0.477
local terms energy: -65.638636
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -6.995
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: 10
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -91.121689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.121689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.121689 (E_RNA)
where:
Base-Base interactions energy: -42.740
where: short stacking energy: -34.460
Base-Backbone interact. energy: -0.319
local terms energy: -48.063319
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -7.054
flat angles P-C4'-P energy: -7.001
tors. eta vs tors. theta energy: -4.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -88.716114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.716114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.716114 (E_RNA)
where:
Base-Base interactions energy: -31.117
where: short stacking energy: -28.003
Base-Backbone interact. energy: 0.436
local terms energy: -58.034364
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -15.446
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -1.903
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: 384
Temperature: 1.300000
Total energy: -84.445068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.445068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.445068 (E_RNA)
where:
Base-Base interactions energy: -21.703
where: short stacking energy: -21.631
Base-Backbone interact. energy: -0.117
local terms energy: -62.624348
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -20.694
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -6.515
tors. eta vs tors. theta energy: -3.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -84.119802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.119802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.119802 (E_RNA)
where:
Base-Base interactions energy: -25.065
where: short stacking energy: -21.709
Base-Backbone interact. energy: -0.234
local terms energy: -58.820745
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -16.941
flat angles C4'-P-C4' energy: -16.537
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: 3.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -259.706463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.706463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.706463 (E_RNA)
where:
Base-Base interactions energy: -166.663
where: short stacking energy: -73.212
Base-Backbone interact. energy: -0.591
local terms energy: -92.452543
where:
bonds (distance) C4'-P energy: -18.786
bonds (distance) P-C4' energy: -20.623
flat angles C4'-P-C4' energy: -16.947
flat angles P-C4'-P energy: -13.743
tors. eta vs tors. theta energy: -22.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -241.816249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.816249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.816249 (E_RNA)
where:
Base-Base interactions energy: -157.146
where: short stacking energy: -74.076
Base-Backbone interact. energy: -0.062
local terms energy: -84.608326
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -14.097
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: 3, replica: 9
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -242.433887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.433887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.433887 (E_RNA)
where:
Base-Base interactions energy: -158.340
where: short stacking energy: -74.227
Base-Backbone interact. energy: 0.411
local terms energy: -84.505159
where:
bonds (distance) C4'-P energy: -17.854
bonds (distance) P-C4' energy: -14.524
flat angles C4'-P-C4' energy: -17.988
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -23.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -234.928908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.928908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.928908 (E_RNA)
where:
Base-Base interactions energy: -152.057
where: short stacking energy: -63.067
Base-Backbone interact. energy: -0.491
local terms energy: -82.381453
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -18.572
flat angles C4'-P-C4' energy: -16.962
flat angles P-C4'-P energy: -13.058
tors. eta vs tors. theta energy: -20.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -120.934861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.934861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.934861 (E_RNA)
where:
Base-Base interactions energy: -53.595
where: short stacking energy: -44.427
Base-Backbone interact. energy: -0.395
local terms energy: -66.944886
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -12.242
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: 6, replica: 1
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -157.076027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.076027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.076027 (E_RNA)
where:
Base-Base interactions energy: -90.993
where: short stacking energy: -40.729
Base-Backbone interact. energy: -0.176
local terms energy: -65.907467
where:
bonds (distance) C4'-P energy: -12.891
bonds (distance) P-C4' energy: -12.219
flat angles C4'-P-C4' energy: -18.985
flat angles P-C4'-P energy: -13.161
tors. eta vs tors. theta energy: -8.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -91.270929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.270929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.270929 (E_RNA)
where:
Base-Base interactions energy: -45.464
where: short stacking energy: -38.049
Base-Backbone interact. energy: -0.057
local terms energy: -45.750409
where:
bonds (distance) C4'-P energy: -16.042
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -7.281
flat angles P-C4'-P energy: -7.418
tors. eta vs tors. theta energy: 1.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -80.753550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.753550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.753550 (E_RNA)
where:
Base-Base interactions energy: -31.097
where: short stacking energy: -31.097
Base-Backbone interact. energy: 0.346
local terms energy: -50.002965
where:
bonds (distance) C4'-P energy: -11.662
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -11.607
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: 0.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -83.230057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.230057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.230057 (E_RNA)
where:
Base-Base interactions energy: -30.597
where: short stacking energy: -28.064
Base-Backbone interact. energy: -0.312
local terms energy: -52.321272
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -12.044
flat angles C4'-P-C4' energy: -18.561
flat angles P-C4'-P energy: -10.544
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: 4
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -86.739149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.739149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.739149 (E_RNA)
where:
Base-Base interactions energy: -32.138
where: short stacking energy: -24.624
Base-Backbone interact. energy: 0.405
local terms energy: -55.006179
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -15.609
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -2.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -260.324488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.324488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.324488 (E_RNA)
where:
Base-Base interactions energy: -175.547
where: short stacking energy: -73.757
Base-Backbone interact. energy: -0.049
local terms energy: -84.727699
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -17.130
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -22.774
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: 386
Temperature: 0.950000
Total energy: -232.978041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.978041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.978041 (E_RNA)
where:
Base-Base interactions energy: -150.002
where: short stacking energy: -67.627
Base-Backbone interact. energy: -0.002
local terms energy: -82.973753
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -14.080
tors. eta vs tors. theta energy: -20.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -241.159340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.159340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.159340 (E_RNA)
where:
Base-Base interactions energy: -160.005
where: short stacking energy: -78.020
Base-Backbone interact. energy: -0.010
local terms energy: -81.144820
where:
bonds (distance) C4'-P energy: -17.311
bonds (distance) P-C4' energy: -13.441
flat angles C4'-P-C4' energy: -17.501
flat angles P-C4'-P energy: -8.773
tors. eta vs tors. theta energy: -24.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -240.521424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.521424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.521424 (E_RNA)
where:
Base-Base interactions energy: -149.529
where: short stacking energy: -65.001
Base-Backbone interact. energy: -0.045
local terms energy: -90.947699
where:
bonds (distance) C4'-P energy: -16.799
bonds (distance) P-C4' energy: -19.231
flat angles C4'-P-C4' energy: -18.355
flat angles P-C4'-P energy: -15.953
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: 5, replica: 1
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -175.171335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.171335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.171335 (E_RNA)
where:
Base-Base interactions energy: -92.536
where: short stacking energy: -40.636
Base-Backbone interact. energy: -0.004
local terms energy: -82.631829
where:
bonds (distance) C4'-P energy: -18.385
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -14.005
tors. eta vs tors. theta energy: -16.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -109.213493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.213493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.213493 (E_RNA)
where:
Base-Base interactions energy: -52.806
where: short stacking energy: -46.839
Base-Backbone interact. energy: 1.317
local terms energy: -57.725303
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -12.763
flat angles P-C4'-P energy: -7.341
tors. eta vs tors. theta energy: -7.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -96.861516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.861516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.861516 (E_RNA)
where:
Base-Base interactions energy: -37.293
where: short stacking energy: -35.531
Base-Backbone interact. energy: -0.142
local terms energy: -59.426580
where:
bonds (distance) C4'-P energy: -11.123
bonds (distance) P-C4' energy: -19.660
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -5.677
tors. eta vs tors. theta energy: -7.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -103.621734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.621734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.621734 (E_RNA)
where:
Base-Base interactions energy: -45.812
where: short stacking energy: -30.100
Base-Backbone interact. energy: 0.476
local terms energy: -58.285850
where:
bonds (distance) C4'-P energy: -8.292
bonds (distance) P-C4' energy: -17.413
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: -5.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -90.195211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.195211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.195211 (E_RNA)
where:
Base-Base interactions energy: -33.187
where: short stacking energy: -29.716
Base-Backbone interact. energy: -0.465
local terms energy: -56.543456
where:
bonds (distance) C4'-P energy: -18.004
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: -0.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -81.476867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.476867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.476867 (E_RNA)
where:
Base-Base interactions energy: -23.381
where: short stacking energy: -23.379
Base-Backbone interact. energy: -0.480
local terms energy: -57.616146
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -0.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -261.755704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.755704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.755704 (E_RNA)
where:
Base-Base interactions energy: -173.812
where: short stacking energy: -79.362
Base-Backbone interact. energy: -0.220
local terms energy: -87.723481
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -19.788
flat angles C4'-P-C4' energy: -17.706
flat angles P-C4'-P energy: -13.580
tors. eta vs tors. theta energy: -23.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -242.482545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.482545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.482545 (E_RNA)
where:
Base-Base interactions energy: -158.626
where: short stacking energy: -77.888
Base-Backbone interact. energy: -0.033
local terms energy: -83.823820
where:
bonds (distance) C4'-P energy: -15.073
bonds (distance) P-C4' energy: -17.687
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -14.611
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: 3, replica: 5
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -240.466397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.466397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.466397 (E_RNA)
where:
Base-Base interactions energy: -157.437
where: short stacking energy: -71.570
Base-Backbone interact. energy: -0.044
local terms energy: -82.984845
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -18.374
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: -24.923
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: 4, replica: 7
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -234.559426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.559426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.559426 (E_RNA)
where:
Base-Base interactions energy: -151.490
where: short stacking energy: -68.554
Base-Backbone interact. energy: 0.891
local terms energy: -83.959798
where:
bonds (distance) C4'-P energy: -16.922
bonds (distance) P-C4' energy: -13.406
flat angles C4'-P-C4' energy: -18.357
flat angles P-C4'-P energy: -13.219
tors. eta vs tors. theta energy: -22.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -168.556032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.556032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.556032 (E_RNA)
where:
Base-Base interactions energy: -100.143
where: short stacking energy: -41.847
Base-Backbone interact. energy: 2.991
local terms energy: -71.404549
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -20.272
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -10.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -104.501557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.501557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.501557 (E_RNA)
where:
Base-Base interactions energy: -43.386
where: short stacking energy: -29.940
Base-Backbone interact. energy: -0.674
local terms energy: -60.441726
where:
bonds (distance) C4'-P energy: -11.707
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -15.486
flat angles P-C4'-P energy: -12.396
tors. eta vs tors. theta energy: -2.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -94.577691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.577691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.577691 (E_RNA)
where:
Base-Base interactions energy: -36.688
where: short stacking energy: -30.108
Base-Backbone interact. energy: -0.070
local terms energy: -57.819168
where:
bonds (distance) C4'-P energy: -18.897
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -3.279
tors. eta vs tors. theta energy: -4.012
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: 4
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -91.322317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.322317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.322317 (E_RNA)
where:
Base-Base interactions energy: -39.891
where: short stacking energy: -16.600
Base-Backbone interact. energy: -0.901
local terms energy: -50.529721
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -19.070
flat angles C4'-P-C4' energy: -9.060
flat angles P-C4'-P energy: -5.728
tors. eta vs tors. theta energy: -4.507
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: 10
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -87.204106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.204106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.204106 (E_RNA)
where:
Base-Base interactions energy: -26.650
where: short stacking energy: -26.650
Base-Backbone interact. energy: -0.098
local terms energy: -60.455784
where:
bonds (distance) C4'-P energy: -19.539
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -11.303
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -5.097
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: 3
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -81.480679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.480679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.480679 (E_RNA)
where:
Base-Base interactions energy: -33.828
where: short stacking energy: -29.629
Base-Backbone interact. energy: -0.204
local terms energy: -47.448699
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: 1.175
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: 9
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -250.646828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.646828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.646828 (E_RNA)
where:
Base-Base interactions energy: -160.399
where: short stacking energy: -76.593
Base-Backbone interact. energy: -0.578
local terms energy: -89.670009
where:
bonds (distance) C4'-P energy: -17.713
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -18.756
flat angles P-C4'-P energy: -13.095
tors. eta vs tors. theta energy: -23.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -261.654279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.654279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.654279 (E_RNA)
where:
Base-Base interactions energy: -168.416
where: short stacking energy: -81.040
Base-Backbone interact. energy: -1.720
local terms energy: -91.518619
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -19.923
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -26.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -243.824288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.824288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.824288 (E_RNA)
where:
Base-Base interactions energy: -158.432
where: short stacking energy: -66.808
Base-Backbone interact. energy: -0.093
local terms energy: -85.298987
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -20.060
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -20.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -232.158167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.158167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.158167 (E_RNA)
where:
Base-Base interactions energy: -153.618
where: short stacking energy: -66.894
Base-Backbone interact. energy: -0.004
local terms energy: -78.535611
where:
bonds (distance) C4'-P energy: -9.670
bonds (distance) P-C4' energy: -19.739
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -21.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -186.487521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.487521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.487521 (E_RNA)
where:
Base-Base interactions energy: -116.085
where: short stacking energy: -58.354
Base-Backbone interact. energy: -0.308
local terms energy: -70.094266
where:
bonds (distance) C4'-P energy: -17.254
bonds (distance) P-C4' energy: -13.533
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -6.022
tors. eta vs tors. theta energy: -17.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -100.442526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.442526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.442526 (E_RNA)
where:
Base-Base interactions energy: -37.259
where: short stacking energy: -37.259
Base-Backbone interact. energy: -0.712
local terms energy: -62.472194
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -16.579
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -5.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -101.636534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.636534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.636534 (E_RNA)
where:
Base-Base interactions energy: -39.141
where: short stacking energy: -39.123
Base-Backbone interact. energy: -0.049
local terms energy: -62.446118
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -11.275
flat angles C4'-P-C4' energy: -16.764
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -7.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -103.074939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.074939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.074939 (E_RNA)
where:
Base-Base interactions energy: -51.540
where: short stacking energy: -30.277
Base-Backbone interact. energy: -0.150
local terms energy: -51.384817
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -14.738
flat angles C4'-P-C4' energy: -8.028
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -2.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -84.354268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.354268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.354268 (E_RNA)
where:
Base-Base interactions energy: -25.615
where: short stacking energy: -21.934
Base-Backbone interact. energy: -0.011
local terms energy: -58.728918
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -3.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -77.099406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.099406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.099406 (E_RNA)
where:
Base-Base interactions energy: -26.512
where: short stacking energy: -16.379
Base-Backbone interact. energy: -0.466
local terms energy: -50.121523
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -6.294
tors. eta vs tors. theta energy: 2.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -255.236921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.236921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.236921 (E_RNA)
where:
Base-Base interactions energy: -169.673
where: short stacking energy: -76.811
Base-Backbone interact. energy: -0.839
local terms energy: -84.724166
where:
bonds (distance) C4'-P energy: -17.772
bonds (distance) P-C4' energy: -19.234
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -12.884
tors. eta vs tors. theta energy: -18.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -258.534453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.534453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.534453 (E_RNA)
where:
Base-Base interactions energy: -174.616
where: short stacking energy: -87.563
Base-Backbone interact. energy: -0.720
local terms energy: -83.199272
where:
bonds (distance) C4'-P energy: -7.457
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -20.187
flat angles P-C4'-P energy: -13.145
tors. eta vs tors. theta energy: -26.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -250.043395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.043395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.043395 (E_RNA)
where:
Base-Base interactions energy: -170.245
where: short stacking energy: -78.372
Base-Backbone interact. energy: 0.508
local terms energy: -80.306790
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -12.960
tors. eta vs tors. theta energy: -25.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -238.837049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.837049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.837049 (E_RNA)
where:
Base-Base interactions energy: -151.523
where: short stacking energy: -65.419
Base-Backbone interact. energy: -0.013
local terms energy: -87.300153
where:
bonds (distance) C4'-P energy: -17.618
bonds (distance) P-C4' energy: -17.637
flat angles C4'-P-C4' energy: -16.535
flat angles P-C4'-P energy: -13.983
tors. eta vs tors. theta energy: -21.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -165.260649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.260649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.260649 (E_RNA)
where:
Base-Base interactions energy: -95.440
where: short stacking energy: -42.562
Base-Backbone interact. energy: -0.286
local terms energy: -69.534578
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -17.650
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: -9.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -128.374459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.374459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.374459 (E_RNA)
where:
Base-Base interactions energy: -58.842
where: short stacking energy: -42.210
Base-Backbone interact. energy: -0.570
local terms energy: -68.962549
where:
bonds (distance) C4'-P energy: -15.505
bonds (distance) P-C4' energy: -16.957
flat angles C4'-P-C4' energy: -17.205
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -10.253
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: 389
Temperature: 1.200000
Total energy: -96.217928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.217928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.217928 (E_RNA)
where:
Base-Base interactions energy: -46.600
where: short stacking energy: -26.621
Base-Backbone interact. energy: -0.203
local terms energy: -49.414446
where:
bonds (distance) C4'-P energy: -4.470
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -10.844
tors. eta vs tors. theta energy: -5.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -92.394987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.394987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.394987 (E_RNA)
where:
Base-Base interactions energy: -32.432
where: short stacking energy: -27.935
Base-Backbone interact. energy: -0.124
local terms energy: -59.838689
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -17.218
flat angles C4'-P-C4' energy: -17.617
flat angles P-C4'-P energy: -7.400
tors. eta vs tors. theta energy: -4.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -90.727117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.727117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.727117 (E_RNA)
where:
Base-Base interactions energy: -37.406
where: short stacking energy: -23.495
Base-Backbone interact. energy: -0.303
local terms energy: -53.018867
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: -0.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -83.239206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.239206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.239206 (E_RNA)
where:
Base-Base interactions energy: -29.664
where: short stacking energy: -27.139
Base-Backbone interact. energy: -1.372
local terms energy: -52.203282
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -7.410
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: 1, replica: 7
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -253.102305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.102305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.102305 (E_RNA)
where:
Base-Base interactions energy: -167.007
where: short stacking energy: -74.726
Base-Backbone interact. energy: -0.008
local terms energy: -86.086674
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -16.186
flat angles C4'-P-C4' energy: -20.294
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -25.291
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: 9
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -246.240525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.240525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.240525 (E_RNA)
where:
Base-Base interactions energy: -164.574
where: short stacking energy: -81.670
Base-Backbone interact. energy: -0.001
local terms energy: -81.665466
where:
bonds (distance) C4'-P energy: -18.209
bonds (distance) P-C4' energy: -10.214
flat angles C4'-P-C4' energy: -18.552
flat angles P-C4'-P energy: -12.208
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: 3, replica: 6
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -243.787567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.787567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.787567 (E_RNA)
where:
Base-Base interactions energy: -163.980
where: short stacking energy: -67.572
Base-Backbone interact. energy: -0.763
local terms energy: -79.045146
where:
bonds (distance) C4'-P energy: -16.572
bonds (distance) P-C4' energy: -11.998
flat angles C4'-P-C4' energy: -19.335
flat angles P-C4'-P energy: -13.880
tors. eta vs tors. theta energy: -17.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -230.423152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.423152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.423152 (E_RNA)
where:
Base-Base interactions energy: -149.568
where: short stacking energy: -67.797
Base-Backbone interact. energy: -0.622
local terms energy: -80.232678
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -17.134
flat angles P-C4'-P energy: -9.365
tors. eta vs tors. theta energy: -25.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -171.848303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.848303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.848303 (E_RNA)
where:
Base-Base interactions energy: -109.067
where: short stacking energy: -51.779
Base-Backbone interact. energy: -0.088
local terms energy: -62.693541
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -10.768
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -13.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -166.805400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.805400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.805400 (E_RNA)
where:
Base-Base interactions energy: -92.564
where: short stacking energy: -48.124
Base-Backbone interact. energy: 0.749
local terms energy: -74.990458
where:
bonds (distance) C4'-P energy: -16.484
bonds (distance) P-C4' energy: -17.433
flat angles C4'-P-C4' energy: -18.387
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -11.102
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: 7, replica: 3
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -90.248850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.248850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.248850 (E_RNA)
where:
Base-Base interactions energy: -28.569
where: short stacking energy: -26.471
Base-Backbone interact. energy: -0.118
local terms energy: -61.561664
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -16.453
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -4.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -95.822877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.822877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.822877 (E_RNA)
where:
Base-Base interactions energy: -38.698
where: short stacking energy: -33.160
Base-Backbone interact. energy: -0.518
local terms energy: -56.606239
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -9.848
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -4.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -88.586925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.586925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.586925 (E_RNA)
where:
Base-Base interactions energy: -25.899
where: short stacking energy: -23.976
Base-Backbone interact. energy: -0.276
local terms energy: -62.411187
where:
bonds (distance) C4'-P energy: -20.303
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -18.336
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: 2.497
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: 2
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -89.950842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.950842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.950842 (E_RNA)
where:
Base-Base interactions energy: -37.142
where: short stacking energy: -19.591
Base-Backbone interact. energy: -0.328
local terms energy: -52.481210
where:
bonds (distance) C4'-P energy: -8.348
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -12.588
flat angles P-C4'-P energy: -12.491
tors. eta vs tors. theta energy: -2.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -261.152596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.152596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.152596 (E_RNA)
where:
Base-Base interactions energy: -171.612
where: short stacking energy: -83.228
Base-Backbone interact. energy: -0.889
local terms energy: -88.651346
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -17.672
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -27.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -254.438376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.438376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.438376 (E_RNA)
where:
Base-Base interactions energy: -168.612
where: short stacking energy: -79.880
Base-Backbone interact. energy: -0.600
local terms energy: -85.226550
where:
bonds (distance) C4'-P energy: -11.639
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -17.503
flat angles P-C4'-P energy: -13.307
tors. eta vs tors. theta energy: -25.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -248.316253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.316253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.316253 (E_RNA)
where:
Base-Base interactions energy: -162.530
where: short stacking energy: -74.949
Base-Backbone interact. energy: -0.004
local terms energy: -85.782830
where:
bonds (distance) C4'-P energy: -19.121
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -25.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -230.942193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.942193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.942193 (E_RNA)
where:
Base-Base interactions energy: -151.216
where: short stacking energy: -73.227
Base-Backbone interact. energy: -0.033
local terms energy: -79.693717
where:
bonds (distance) C4'-P energy: -17.001
bonds (distance) P-C4' energy: -11.803
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -14.051
tors. eta vs tors. theta energy: -23.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -193.513534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.513534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.513534 (E_RNA)
where:
Base-Base interactions energy: -113.452
where: short stacking energy: -68.686
Base-Backbone interact. energy: -0.063
local terms energy: -79.997727
where:
bonds (distance) C4'-P energy: -16.557
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -13.702
tors. eta vs tors. theta energy: -18.031
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: 1
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -171.659331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.659331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.659331 (E_RNA)
where:
Base-Base interactions energy: -99.503
where: short stacking energy: -52.085
Base-Backbone interact. energy: -0.070
local terms energy: -72.086092
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -19.785
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -13.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -119.446888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.446888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.446888 (E_RNA)
where:
Base-Base interactions energy: -54.856
where: short stacking energy: -36.267
Base-Backbone interact. energy: -0.687
local terms energy: -63.903800
where:
bonds (distance) C4'-P energy: -14.474
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -12.406
tors. eta vs tors. theta energy: -3.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -98.821857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.821857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.821857 (E_RNA)
where:
Base-Base interactions energy: -30.642
where: short stacking energy: -29.257
Base-Backbone interact. energy: -0.026
local terms energy: -68.154511
where:
bonds (distance) C4'-P energy: -18.160
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -17.317
flat angles P-C4'-P energy: -7.008
tors. eta vs tors. theta energy: -9.673
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: 391
Temperature: 1.300000
Total energy: -86.262283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.262283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.262283 (E_RNA)
where:
Base-Base interactions energy: -41.691
where: short stacking energy: -23.772
Base-Backbone interact. energy: -0.031
local terms energy: -44.540343
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -8.343
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: 0.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -77.947835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.947835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.947835 (E_RNA)
where:
Base-Base interactions energy: -26.434
where: short stacking energy: -24.771
Base-Backbone interact. energy: -0.192
local terms energy: -51.321655
where:
bonds (distance) C4'-P energy: -18.782
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -14.474
flat angles P-C4'-P energy: -6.547
tors. eta vs tors. theta energy: 4.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -266.613226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.613226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.613226 (E_RNA)
where:
Base-Base interactions energy: -172.320
where: short stacking energy: -85.525
Base-Backbone interact. energy: -0.586
local terms energy: -93.707123
where:
bonds (distance) C4'-P energy: -18.101
bonds (distance) P-C4' energy: -17.120
flat angles C4'-P-C4' energy: -17.768
flat angles P-C4'-P energy: -15.290
tors. eta vs tors. theta energy: -25.428
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: 9
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -257.369072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.369072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.369072 (E_RNA)
where:
Base-Base interactions energy: -168.910
where: short stacking energy: -84.454
Base-Backbone interact. energy: -1.689
local terms energy: -86.769843
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -16.212
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -14.156
tors. eta vs tors. theta energy: -26.738
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: 6
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -243.381013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.381013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.381013 (E_RNA)
where:
Base-Base interactions energy: -150.137
where: short stacking energy: -68.412
Base-Backbone interact. energy: -1.064
local terms energy: -92.180016
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -20.000
flat angles C4'-P-C4' energy: -17.606
flat angles P-C4'-P energy: -12.086
tors. eta vs tors. theta energy: -25.810
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: 4, replica: 5
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -224.313895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.313895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.313895 (E_RNA)
where:
Base-Base interactions energy: -144.347
where: short stacking energy: -68.345
Base-Backbone interact. energy: 0.233
local terms energy: -80.199925
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -16.363
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: -22.402
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: 392
Temperature: 1.100000
Total energy: -158.389474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.389474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.389474 (E_RNA)
where:
Base-Base interactions energy: -84.425
where: short stacking energy: -45.909
Base-Backbone interact. energy: -1.380
local terms energy: -72.584062
where:
bonds (distance) C4'-P energy: -18.276
bonds (distance) P-C4' energy: -18.715
flat angles C4'-P-C4' energy: -14.545
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -9.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -157.720502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.720502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.720502 (E_RNA)
where:
Base-Base interactions energy: -87.669
where: short stacking energy: -55.565
Base-Backbone interact. energy: -0.056
local terms energy: -69.995807
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -17.388
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -14.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -95.495975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.495975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.495975 (E_RNA)
where:
Base-Base interactions energy: -34.072
where: short stacking energy: -29.889
Base-Backbone interact. energy: -0.364
local terms energy: -61.060450
where:
bonds (distance) C4'-P energy: -17.140
bonds (distance) P-C4' energy: -17.973
flat angles C4'-P-C4' energy: -12.481
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -2.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -104.922377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.922377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.922377 (E_RNA)
where:
Base-Base interactions energy: -42.611
where: short stacking energy: -37.002
Base-Backbone interact. energy: -0.129
local terms energy: -62.182581
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -9.719
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: 9, replica: 2
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -87.179504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.179504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.179504 (E_RNA)
where:
Base-Base interactions energy: -37.554
where: short stacking energy: -34.867
Base-Backbone interact. energy: -0.482
local terms energy: -49.143166
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -6.130
flat angles C4'-P-C4' energy: -10.842
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -4.876
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: 8
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -79.177109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.177109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.177109 (E_RNA)
where:
Base-Base interactions energy: -32.640
where: short stacking energy: -16.081
Base-Backbone interact. energy: -0.044
local terms energy: -46.492861
where:
bonds (distance) C4'-P energy: -19.535
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -8.668
flat angles P-C4'-P energy: -5.059
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: 1, replica: 7
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -257.764290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.764290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.764290 (E_RNA)
where:
Base-Base interactions energy: -166.329
where: short stacking energy: -79.027
Base-Backbone interact. energy: 0.072
local terms energy: -91.506950
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -18.582
flat angles C4'-P-C4' energy: -19.920
flat angles P-C4'-P energy: -14.328
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: 2, replica: 6
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -251.851847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.851847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.851847 (E_RNA)
where:
Base-Base interactions energy: -165.014
where: short stacking energy: -76.876
Base-Backbone interact. energy: -0.001
local terms energy: -86.836931
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -19.534
flat angles P-C4'-P energy: -13.779
tors. eta vs tors. theta energy: -21.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -251.967428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.967428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.967428 (E_RNA)
where:
Base-Base interactions energy: -157.813
where: short stacking energy: -75.167
Base-Backbone interact. energy: -0.005
local terms energy: -94.149702
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -16.847
flat angles P-C4'-P energy: -14.287
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: 4, replica: 5
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -203.456268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.456268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.456268 (E_RNA)
where:
Base-Base interactions energy: -122.118
where: short stacking energy: -60.689
Base-Backbone interact. energy: -0.077
local terms energy: -81.261370
where:
bonds (distance) C4'-P energy: -16.596
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -16.214
flat angles P-C4'-P energy: -15.851
tors. eta vs tors. theta energy: -15.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -171.031981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.031981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.031981 (E_RNA)
where:
Base-Base interactions energy: -100.554
where: short stacking energy: -50.651
Base-Backbone interact. energy: 0.241
local terms energy: -70.718593
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -12.572
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -14.604
tors. eta vs tors. theta energy: -10.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -175.723579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.723579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.723579 (E_RNA)
where:
Base-Base interactions energy: -112.144
where: short stacking energy: -49.927
Base-Backbone interact. energy: -0.272
local terms energy: -63.307749
where:
bonds (distance) C4'-P energy: -14.432
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: -10.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -96.188205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.188205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.188205 (E_RNA)
where:
Base-Base interactions energy: -48.792
where: short stacking energy: -21.847
Base-Backbone interact. energy: -0.728
local terms energy: -46.668092
where:
bonds (distance) C4'-P energy: -15.982
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -9.957
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: 4.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -93.979267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.979267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.979267 (E_RNA)
where:
Base-Base interactions energy: -26.912
where: short stacking energy: -26.912
Base-Backbone interact. energy: -0.196
local terms energy: -66.871737
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: -13.995
tors. eta vs tors. theta energy: -6.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -86.171910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.171910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.171910 (E_RNA)
where:
Base-Base interactions energy: -32.560
where: short stacking energy: -27.901
Base-Backbone interact. energy: -1.056
local terms energy: -52.555776
where:
bonds (distance) C4'-P energy: -19.158
bonds (distance) P-C4' energy: -12.068
flat angles C4'-P-C4' energy: -9.077
flat angles P-C4'-P energy: -5.717
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: 10, replica: 8
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -80.601466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.601466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.601466 (E_RNA)
where:
Base-Base interactions energy: -28.418
where: short stacking energy: -28.418
Base-Backbone interact. energy: -0.090
local terms energy: -52.093953
where:
bonds (distance) C4'-P energy: -19.237
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -8.743
flat angles P-C4'-P energy: -7.162
tors. eta vs tors. theta energy: -1.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -264.458271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.458271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.458271 (E_RNA)
where:
Base-Base interactions energy: -169.620
where: short stacking energy: -82.244
Base-Backbone interact. energy: -0.920
local terms energy: -93.918426
where:
bonds (distance) C4'-P energy: -18.869
bonds (distance) P-C4' energy: -17.773
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -15.941
tors. eta vs tors. theta energy: -24.342
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: 7
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -255.687443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.687443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.687443 (E_RNA)
where:
Base-Base interactions energy: -163.526
where: short stacking energy: -81.574
Base-Backbone interact. energy: -0.024
local terms energy: -92.137269
where:
bonds (distance) C4'-P energy: -17.490
bonds (distance) P-C4' energy: -19.181
flat angles C4'-P-C4' energy: -18.935
flat angles P-C4'-P energy: -12.493
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: 3, replica: 9
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -266.899613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.899613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.899613 (E_RNA)
where:
Base-Base interactions energy: -183.414
where: short stacking energy: -78.921
Base-Backbone interact. energy: -0.021
local terms energy: -83.464764
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -18.553
flat angles C4'-P-C4' energy: -13.246
flat angles P-C4'-P energy: -15.161
tors. eta vs tors. theta energy: -19.951
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: 5
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -198.936589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.936589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.936589 (E_RNA)
where:
Base-Base interactions energy: -118.721
where: short stacking energy: -59.275
Base-Backbone interact. energy: -0.256
local terms energy: -79.959581
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -18.763
flat angles C4'-P-C4' energy: -19.274
flat angles P-C4'-P energy: -12.496
tors. eta vs tors. theta energy: -14.943
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: 4
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -184.623663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.623663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.623663 (E_RNA)
where:
Base-Base interactions energy: -111.959
where: short stacking energy: -52.656
Base-Backbone interact. energy: -1.443
local terms energy: -71.220992
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -12.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -177.649867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.649867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.649867 (E_RNA)
where:
Base-Base interactions energy: -107.126
where: short stacking energy: -46.878
Base-Backbone interact. energy: -0.693
local terms energy: -69.831248
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -18.740
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -15.055
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: 10
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -113.686190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.686190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.686190 (E_RNA)
where:
Base-Base interactions energy: -42.138
where: short stacking energy: -41.750
Base-Backbone interact. energy: -0.677
local terms energy: -70.870880
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -20.248
flat angles C4'-P-C4' energy: -16.302
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -9.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -87.455528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.455528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.455528 (E_RNA)
where:
Base-Base interactions energy: -39.120
where: short stacking energy: -35.741
Base-Backbone interact. energy: -0.207
local terms energy: -48.127697
where:
bonds (distance) C4'-P energy: -5.316
bonds (distance) P-C4' energy: -16.534
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -9.479
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: 9, replica: 8
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -84.446110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.446110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.446110 (E_RNA)
where:
Base-Base interactions energy: -25.577
where: short stacking energy: -25.577
Base-Backbone interact. energy: -0.223
local terms energy: -58.645752
where:
bonds (distance) C4'-P energy: -16.053
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -8.685
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: 394
Temperature: 1.350000
Total energy: -80.460851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.460851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.460851 (E_RNA)
where:
Base-Base interactions energy: -36.328
where: short stacking energy: -30.888
Base-Backbone interact. energy: -0.137
local terms energy: -43.995236
where:
bonds (distance) C4'-P energy: -9.764
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -8.427
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -2.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -256.514698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.514698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.514698 (E_RNA)
where:
Base-Base interactions energy: -164.191
where: short stacking energy: -81.763
Base-Backbone interact. energy: -0.012
local terms energy: -92.312555
where:
bonds (distance) C4'-P energy: -16.666
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -18.184
flat angles P-C4'-P energy: -13.395
tors. eta vs tors. theta energy: -25.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -255.778982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.778982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.778982 (E_RNA)
where:
Base-Base interactions energy: -181.821
where: short stacking energy: -78.886
Base-Backbone interact. energy: -0.081
local terms energy: -73.877207
where:
bonds (distance) C4'-P energy: -11.250
bonds (distance) P-C4' energy: -12.821
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -21.795
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: 7
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -240.614036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.614036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.614036 (E_RNA)
where:
Base-Base interactions energy: -154.971
where: short stacking energy: -72.168
Base-Backbone interact. energy: -0.450
local terms energy: -85.193556
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -21.830
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -19.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -205.795406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.795406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.795406 (E_RNA)
where:
Base-Base interactions energy: -127.999
where: short stacking energy: -66.423
Base-Backbone interact. energy: -0.343
local terms energy: -77.452930
where:
bonds (distance) C4'-P energy: -18.209
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -18.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -182.573505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.573505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.573505 (E_RNA)
where:
Base-Base interactions energy: -108.112
where: short stacking energy: -52.742
Base-Backbone interact. energy: -0.956
local terms energy: -73.504861
where:
bonds (distance) C4'-P energy: -17.584
bonds (distance) P-C4' energy: -17.640
flat angles C4'-P-C4' energy: -19.632
flat angles P-C4'-P energy: -12.295
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: 6, replica: 1
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -178.928555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.928555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.928555 (E_RNA)
where:
Base-Base interactions energy: -117.712
where: short stacking energy: -51.341
Base-Backbone interact. energy: -0.344
local terms energy: -60.872326
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -2.158
tors. eta vs tors. theta energy: -15.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -100.486834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.486834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.486834 (E_RNA)
where:
Base-Base interactions energy: -44.686
where: short stacking energy: -33.509
Base-Backbone interact. energy: -0.764
local terms energy: -55.036959
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -11.823
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -14.326
tors. eta vs tors. theta energy: -2.825
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: 8
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -88.034578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.034578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.034578 (E_RNA)
where:
Base-Base interactions energy: -31.512
where: short stacking energy: -27.713
Base-Backbone interact. energy: -0.589
local terms energy: -55.934239
where:
bonds (distance) C4'-P energy: -17.874
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -4.619
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: -5.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -89.076009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.076009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.076009 (E_RNA)
where:
Base-Base interactions energy: -42.482
where: short stacking energy: -38.602
Base-Backbone interact. energy: 0.746
local terms energy: -47.339481
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -10.874
flat angles C4'-P-C4' energy: -9.602
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: -5.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -76.793256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.793256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.793256 (E_RNA)
where:
Base-Base interactions energy: -24.756
where: short stacking energy: -12.370
Base-Backbone interact. energy: -1.107
local terms energy: -50.929915
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -12.334
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: 6.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -256.162584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.162584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.162584 (E_RNA)
where:
Base-Base interactions energy: -162.859
where: short stacking energy: -81.506
Base-Backbone interact. energy: -0.077
local terms energy: -93.227003
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -17.346
flat angles C4'-P-C4' energy: -18.821
flat angles P-C4'-P energy: -14.815
tors. eta vs tors. theta energy: -26.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -250.559069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.559069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.559069 (E_RNA)
where:
Base-Base interactions energy: -162.945
where: short stacking energy: -71.115
Base-Backbone interact. energy: -0.053
local terms energy: -87.560803
where:
bonds (distance) C4'-P energy: -14.435
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -18.428
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -24.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -245.673093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.673093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.673093 (E_RNA)
where:
Base-Base interactions energy: -165.339
where: short stacking energy: -68.007
Base-Backbone interact. energy: -0.242
local terms energy: -80.092436
where:
bonds (distance) C4'-P energy: -17.352
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -10.349
tors. eta vs tors. theta energy: -20.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -201.870174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.870174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.870174 (E_RNA)
where:
Base-Base interactions energy: -119.407
where: short stacking energy: -64.699
Base-Backbone interact. energy: -0.156
local terms energy: -82.306637
where:
bonds (distance) C4'-P energy: -16.197
bonds (distance) P-C4' energy: -18.951
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -14.657
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: 5, replica: 5
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -186.166807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.166807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.166807 (E_RNA)
where:
Base-Base interactions energy: -112.061
where: short stacking energy: -49.284
Base-Backbone interact. energy: -0.781
local terms energy: -73.324903
where:
bonds (distance) C4'-P energy: -17.791
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -7.663
tors. eta vs tors. theta energy: -14.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -178.895721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.895721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.895721 (E_RNA)
where:
Base-Base interactions energy: -106.789
where: short stacking energy: -41.767
Base-Backbone interact. energy: -0.640
local terms energy: -71.466842
where:
bonds (distance) C4'-P energy: -14.321
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -11.958
tors. eta vs tors. theta energy: -12.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -94.089542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.089542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.089542 (E_RNA)
where:
Base-Base interactions energy: -27.603
where: short stacking energy: -27.163
Base-Backbone interact. energy: -0.205
local terms energy: -66.281118
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -18.315
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -5.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -95.173344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.173344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.173344 (E_RNA)
where:
Base-Base interactions energy: -43.612
where: short stacking energy: -28.171
Base-Backbone interact. energy: 0.691
local terms energy: -52.252965
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -13.552
flat angles C4'-P-C4' energy: -10.020
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -1.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -90.549067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.549067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.549067 (E_RNA)
where:
Base-Base interactions energy: -30.410
where: short stacking energy: -30.410
Base-Backbone interact. energy: -0.815
local terms energy: -59.323747
where:
bonds (distance) C4'-P energy: -16.360
bonds (distance) P-C4' energy: -14.111
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -4.834
tors. eta vs tors. theta energy: -9.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -100.843404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.843404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.843404 (E_RNA)
where:
Base-Base interactions energy: -40.734
where: short stacking energy: -38.890
Base-Backbone interact. energy: -0.314
local terms energy: -59.795431
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -10.400
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: -7.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -250.223594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.223594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.223594 (E_RNA)
where:
Base-Base interactions energy: -166.929
where: short stacking energy: -76.107
Base-Backbone interact. energy: -0.064
local terms energy: -83.230975
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -18.703
flat angles C4'-P-C4' energy: -16.211
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: -22.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -271.140846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.140846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.140846 (E_RNA)
where:
Base-Base interactions energy: -179.478
where: short stacking energy: -74.157
Base-Backbone interact. energy: -0.769
local terms energy: -90.894073
where:
bonds (distance) C4'-P energy: -18.168
bonds (distance) P-C4' energy: -18.319
flat angles C4'-P-C4' energy: -20.536
flat angles P-C4'-P energy: -12.764
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: 3, replica: 7
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -240.108605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.108605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.108605 (E_RNA)
where:
Base-Base interactions energy: -152.526
where: short stacking energy: -64.402
Base-Backbone interact. energy: -0.385
local terms energy: -87.197776
where:
bonds (distance) C4'-P energy: -18.806
bonds (distance) P-C4' energy: -18.138
flat angles C4'-P-C4' energy: -19.474
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: -19.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -197.771672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.771672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.771672 (E_RNA)
where:
Base-Base interactions energy: -121.126
where: short stacking energy: -58.408
Base-Backbone interact. energy: -0.092
local terms energy: -76.553713
where:
bonds (distance) C4'-P energy: -17.490
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -14.000
tors. eta vs tors. theta energy: -15.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -192.575076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.575076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.575076 (E_RNA)
where:
Base-Base interactions energy: -115.203
where: short stacking energy: -57.181
Base-Backbone interact. energy: -0.245
local terms energy: -77.126948
where:
bonds (distance) C4'-P energy: -15.330
bonds (distance) P-C4' energy: -20.017
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -12.699
tors. eta vs tors. theta energy: -12.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -194.707804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.707804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.707804 (E_RNA)
where:
Base-Base interactions energy: -121.323
where: short stacking energy: -57.705
Base-Backbone interact. energy: -0.425
local terms energy: -72.960235
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -16.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -104.384345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.384345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.384345 (E_RNA)
where:
Base-Base interactions energy: -43.576
where: short stacking energy: -43.576
Base-Backbone interact. energy: -0.010
local terms energy: -60.798807
where:
bonds (distance) C4'-P energy: -11.781
bonds (distance) P-C4' energy: -16.330
flat angles C4'-P-C4' energy: -11.743
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -9.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -108.107747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.107747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.107747 (E_RNA)
where:
Base-Base interactions energy: -36.728
where: short stacking energy: -36.728
Base-Backbone interact. energy: -0.014
local terms energy: -71.365366
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -18.567
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -11.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -90.264360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.264360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.264360 (E_RNA)
where:
Base-Base interactions energy: -33.299
where: short stacking energy: -25.964
Base-Backbone interact. energy: -0.357
local terms energy: -56.608266
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -7.794
tors. eta vs tors. theta energy: -1.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -79.784779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.784779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.784779 (E_RNA)
where:
Base-Base interactions energy: -18.511
where: short stacking energy: -15.222
Base-Backbone interact. energy: -0.792
local terms energy: -60.481446
where:
bonds (distance) C4'-P energy: -15.872
bonds (distance) P-C4' energy: -19.771
flat angles C4'-P-C4' energy: -10.501
flat angles P-C4'-P energy: -10.971
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: 1, replica: 9
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -263.257495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.257495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.257495 (E_RNA)
where:
Base-Base interactions energy: -171.114
where: short stacking energy: -85.287
Base-Backbone interact. energy: -0.001
local terms energy: -92.143291
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -20.334
flat angles C4'-P-C4' energy: -17.474
flat angles P-C4'-P energy: -16.004
tors. eta vs tors. theta energy: -23.032
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: 6
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -251.005451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.005451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.005451 (E_RNA)
where:
Base-Base interactions energy: -166.452
where: short stacking energy: -76.770
Base-Backbone interact. energy: -0.664
local terms energy: -83.889085
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -20.414
flat angles P-C4'-P energy: -11.688
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: 3, replica: 7
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -248.082580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.082580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.082580 (E_RNA)
where:
Base-Base interactions energy: -154.627
where: short stacking energy: -72.939
Base-Backbone interact. energy: -0.328
local terms energy: -93.128016
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -20.079
flat angles P-C4'-P energy: -14.946
tors. eta vs tors. theta energy: -27.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -202.745357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.745357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.745357 (E_RNA)
where:
Base-Base interactions energy: -118.211
where: short stacking energy: -63.219
Base-Backbone interact. energy: -0.010
local terms energy: -84.524202
where:
bonds (distance) C4'-P energy: -15.528
bonds (distance) P-C4' energy: -20.570
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -12.880
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: 5, replica: 1
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -184.524879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.524879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.524879 (E_RNA)
where:
Base-Base interactions energy: -111.110
where: short stacking energy: -56.051
Base-Backbone interact. energy: -0.005
local terms energy: -73.410046
where:
bonds (distance) C4'-P energy: -15.115
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -18.285
flat angles P-C4'-P energy: -13.070
tors. eta vs tors. theta energy: -13.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -185.805620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.805620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.805620 (E_RNA)
where:
Base-Base interactions energy: -104.133
where: short stacking energy: -51.978
Base-Backbone interact. energy: -0.111
local terms energy: -81.561419
where:
bonds (distance) C4'-P energy: -16.431
bonds (distance) P-C4' energy: -20.852
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -16.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -99.361496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.361496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.361496 (E_RNA)
where:
Base-Base interactions energy: -42.600
where: short stacking energy: -28.470
Base-Backbone interact. energy: -0.314
local terms energy: -56.448061
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -15.872
flat angles C4'-P-C4' energy: -11.945
flat angles P-C4'-P energy: -13.880
tors. eta vs tors. theta energy: -2.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -94.513665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.513665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.513665 (E_RNA)
where:
Base-Base interactions energy: -32.923
where: short stacking energy: -32.195
Base-Backbone interact. energy: -0.115
local terms energy: -61.475363
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -3.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -83.241512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.241512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.241512 (E_RNA)
where:
Base-Base interactions energy: -29.375
where: short stacking energy: -29.375
Base-Backbone interact. energy: -0.061
local terms energy: -53.805789
where:
bonds (distance) C4'-P energy: -18.446
bonds (distance) P-C4' energy: -16.573
flat angles C4'-P-C4' energy: -12.664
flat angles P-C4'-P energy: -4.867
tors. eta vs tors. theta energy: -1.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -84.662093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.662093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.662093 (E_RNA)
where:
Base-Base interactions energy: -38.143
where: short stacking energy: -34.151
Base-Backbone interact. energy: -0.163
local terms energy: -46.356188
where:
bonds (distance) C4'-P energy: -12.150
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -10.978
flat angles P-C4'-P energy: -6.809
tors. eta vs tors. theta energy: -2.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -257.359633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.359633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.359633 (E_RNA)
where:
Base-Base interactions energy: -165.749
where: short stacking energy: -81.959
Base-Backbone interact. energy: 0.165
local terms energy: -91.775891
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -15.549
flat angles C4'-P-C4' energy: -19.453
flat angles P-C4'-P energy: -16.802
tors. eta vs tors. theta energy: -24.466
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: 7
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -253.264657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.264657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.264657 (E_RNA)
where:
Base-Base interactions energy: -165.215
where: short stacking energy: -68.839
Base-Backbone interact. energy: -0.087
local terms energy: -87.963423
where:
bonds (distance) C4'-P energy: -18.776
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -18.654
flat angles P-C4'-P energy: -12.412
tors. eta vs tors. theta energy: -22.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -242.242772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.242772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.242772 (E_RNA)
where:
Base-Base interactions energy: -162.811
where: short stacking energy: -71.774
Base-Backbone interact. energy: -0.829
local terms energy: -78.602991
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -15.077
flat angles C4'-P-C4' energy: -18.194
flat angles P-C4'-P energy: -12.487
tors. eta vs tors. theta energy: -18.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -206.115117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.115117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.115117 (E_RNA)
where:
Base-Base interactions energy: -126.625
where: short stacking energy: -60.306
Base-Backbone interact. energy: -1.007
local terms energy: -78.484039
where:
bonds (distance) C4'-P energy: -18.017
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -18.020
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: 1
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -191.359060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.359060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.359060 (E_RNA)
where:
Base-Base interactions energy: -115.020
where: short stacking energy: -57.284
Base-Backbone interact. energy: -0.896
local terms energy: -75.443083
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -19.342
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -17.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -177.392862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.392862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.392862 (E_RNA)
where:
Base-Base interactions energy: -117.504
where: short stacking energy: -53.035
Base-Backbone interact. energy: -0.199
local terms energy: -59.690411
where:
bonds (distance) C4'-P energy: -10.020
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -17.370
flat angles P-C4'-P energy: -5.514
tors. eta vs tors. theta energy: -9.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -101.281652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.281652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.281652 (E_RNA)
where:
Base-Base interactions energy: -45.087
where: short stacking energy: -29.064
Base-Backbone interact. energy: -0.114
local terms energy: -56.080632
where:
bonds (distance) C4'-P energy: -10.731
bonds (distance) P-C4' energy: -14.073
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -6.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -102.085703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.085703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.085703 (E_RNA)
where:
Base-Base interactions energy: -38.645
where: short stacking energy: -36.343
Base-Backbone interact. energy: -0.148
local terms energy: -63.291906
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -15.021
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -5.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -82.130538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.130538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.130538 (E_RNA)
where:
Base-Base interactions energy: -34.237
where: short stacking energy: -17.456
Base-Backbone interact. energy: 0.598
local terms energy: -48.491451
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -17.461
flat angles C4'-P-C4' energy: -9.634
flat angles P-C4'-P energy: -7.819
tors. eta vs tors. theta energy: 0.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -81.160651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.160651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.160651 (E_RNA)
where:
Base-Base interactions energy: -31.495
where: short stacking energy: -17.047
Base-Backbone interact. energy: -1.106
local terms energy: -48.559020
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -12.020
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: 0.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -259.793727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.793727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.793727 (E_RNA)
where:
Base-Base interactions energy: -159.675
where: short stacking energy: -80.875
Base-Backbone interact. energy: -0.201
local terms energy: -99.918388
where:
bonds (distance) C4'-P energy: -18.967
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -19.637
flat angles P-C4'-P energy: -15.042
tors. eta vs tors. theta energy: -28.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -256.358326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.358326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.358326 (E_RNA)
where:
Base-Base interactions energy: -166.990
where: short stacking energy: -77.711
Base-Backbone interact. energy: -0.039
local terms energy: -89.329803
where:
bonds (distance) C4'-P energy: -17.170
bonds (distance) P-C4' energy: -16.235
flat angles C4'-P-C4' energy: -19.103
flat angles P-C4'-P energy: -13.694
tors. eta vs tors. theta energy: -23.127
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: 6
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -233.883881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.883881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.883881 (E_RNA)
where:
Base-Base interactions energy: -147.001
where: short stacking energy: -75.757
Base-Backbone interact. energy: 0.908
local terms energy: -87.790151
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -18.424
flat angles C4'-P-C4' energy: -19.763
flat angles P-C4'-P energy: -14.749
tors. eta vs tors. theta energy: -21.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -195.643036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.643036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.643036 (E_RNA)
where:
Base-Base interactions energy: -121.717
where: short stacking energy: -63.261
Base-Backbone interact. energy: -0.034
local terms energy: -73.891958
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -19.620
flat angles C4'-P-C4' energy: -16.937
flat angles P-C4'-P energy: -5.221
tors. eta vs tors. theta energy: -18.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -181.190237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.190237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.190237 (E_RNA)
where:
Base-Base interactions energy: -117.561
where: short stacking energy: -44.650
Base-Backbone interact. energy: -0.328
local terms energy: -63.302033
where:
bonds (distance) C4'-P energy: -18.122
bonds (distance) P-C4' energy: -19.203
flat angles C4'-P-C4' energy: -16.991
flat angles P-C4'-P energy: -7.054
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: 6, replica: 4
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -188.690518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.690518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.690518 (E_RNA)
where:
Base-Base interactions energy: -108.314
where: short stacking energy: -55.334
Base-Backbone interact. energy: 0.483
local terms energy: -80.859465
where:
bonds (distance) C4'-P energy: -19.013
bonds (distance) P-C4' energy: -15.626
flat angles C4'-P-C4' energy: -18.809
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -16.425
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: 8
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -96.723238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.723238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.723238 (E_RNA)
where:
Base-Base interactions energy: -33.286
where: short stacking energy: -28.144
Base-Backbone interact. energy: -0.189
local terms energy: -63.248506
where:
bonds (distance) C4'-P energy: -16.157
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -6.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -98.206672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.206672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.206672 (E_RNA)
where:
Base-Base interactions energy: -43.027
where: short stacking energy: -29.965
Base-Backbone interact. energy: -0.110
local terms energy: -55.069717
where:
bonds (distance) C4'-P energy: -11.368
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -10.064
tors. eta vs tors. theta energy: -5.801
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: 2
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -90.801474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.801474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.801474 (E_RNA)
where:
Base-Base interactions energy: -29.381
where: short stacking energy: -29.381
Base-Backbone interact. energy: -0.402
local terms energy: -61.018159
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -18.394
flat angles P-C4'-P energy: -12.045
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: 10, replica: 10
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -86.731630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.731630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.731630 (E_RNA)
where:
Base-Base interactions energy: -34.340
where: short stacking energy: -34.340
Base-Backbone interact. energy: 0.204
local terms energy: -52.595752
where:
bonds (distance) C4'-P energy: -8.787
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -10.844
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -4.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -263.925446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.925446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.925446 (E_RNA)
where:
Base-Base interactions energy: -168.845
where: short stacking energy: -80.708
Base-Backbone interact. energy: -0.958
local terms energy: -94.122502
where:
bonds (distance) C4'-P energy: -17.563
bonds (distance) P-C4' energy: -15.429
flat angles C4'-P-C4' energy: -19.008
flat angles P-C4'-P energy: -14.257
tors. eta vs tors. theta energy: -27.866
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: 401
Temperature: 0.950000
Total energy: -250.651430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.651430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.651430 (E_RNA)
where:
Base-Base interactions energy: -161.156
where: short stacking energy: -79.262
Base-Backbone interact. energy: -0.000
local terms energy: -89.495365
where:
bonds (distance) C4'-P energy: -18.181
bonds (distance) P-C4' energy: -18.598
flat angles C4'-P-C4' energy: -18.392
flat angles P-C4'-P energy: -10.575
tors. eta vs tors. theta energy: -23.749
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: 401
Temperature: 1.000000
Total energy: -239.652513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.652513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.652513 (E_RNA)
where:
Base-Base interactions energy: -148.574
where: short stacking energy: -71.464
Base-Backbone interact. energy: -0.024
local terms energy: -91.054211
where:
bonds (distance) C4'-P energy: -18.198
bonds (distance) P-C4' energy: -19.227
flat angles C4'-P-C4' energy: -17.977
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: -22.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -193.056065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.056065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.056065 (E_RNA)
where:
Base-Base interactions energy: -115.947
where: short stacking energy: -59.052
Base-Backbone interact. energy: -0.328
local terms energy: -76.781925
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -20.895
flat angles C4'-P-C4' energy: -18.434
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: -14.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -175.526841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.526841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.526841 (E_RNA)
where:
Base-Base interactions energy: -103.717
where: short stacking energy: -50.357
Base-Backbone interact. energy: 0.281
local terms energy: -72.090985
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -21.318
flat angles C4'-P-C4' energy: -13.403
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -12.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -178.259747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.259747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.259747 (E_RNA)
where:
Base-Base interactions energy: -106.705
where: short stacking energy: -54.743
Base-Backbone interact. energy: -0.012
local terms energy: -71.543050
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -14.977
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -11.834
tors. eta vs tors. theta energy: -15.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -100.957192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.957192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.957192 (E_RNA)
where:
Base-Base interactions energy: -35.089
where: short stacking energy: -34.841
Base-Backbone interact. energy: -0.205
local terms energy: -65.662510
where:
bonds (distance) C4'-P energy: -14.548
bonds (distance) P-C4' energy: -19.690
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -7.091
tors. eta vs tors. theta energy: -8.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -99.069984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.069984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.069984 (E_RNA)
where:
Base-Base interactions energy: -39.918
where: short stacking energy: -35.198
Base-Backbone interact. energy: -0.233
local terms energy: -58.919616
where:
bonds (distance) C4'-P energy: -10.021
bonds (distance) P-C4' energy: -16.214
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -6.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -101.525362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.525362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.525362 (E_RNA)
where:
Base-Base interactions energy: -44.283
where: short stacking energy: -29.466
Base-Backbone interact. energy: -0.159
local terms energy: -57.082710
where:
bonds (distance) C4'-P energy: -18.706
bonds (distance) P-C4' energy: -12.906
flat angles C4'-P-C4' energy: -16.960
flat angles P-C4'-P energy: -6.219
tors. eta vs tors. theta energy: -2.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -81.391601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.391601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.391601 (E_RNA)
where:
Base-Base interactions energy: -22.602
where: short stacking energy: -22.602
Base-Backbone interact. energy: -0.181
local terms energy: -58.609133
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -7.914
flat angles P-C4'-P energy: -13.223
tors. eta vs tors. theta energy: -5.585
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: 1, replica: 9
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -260.871727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.871727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.871727 (E_RNA)
where:
Base-Base interactions energy: -168.194
where: short stacking energy: -80.659
Base-Backbone interact. energy: -0.066
local terms energy: -92.611968
where:
bonds (distance) C4'-P energy: -20.180
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -13.051
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: 2, replica: 7
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -258.110748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.110748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.110748 (E_RNA)
where:
Base-Base interactions energy: -170.624
where: short stacking energy: -81.394
Base-Backbone interact. energy: -0.347
local terms energy: -87.138878
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -17.004
flat angles P-C4'-P energy: -11.914
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: 3, replica: 6
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -241.764164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.764164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.764164 (E_RNA)
where:
Base-Base interactions energy: -151.275
where: short stacking energy: -71.725
Base-Backbone interact. energy: -0.002
local terms energy: -90.487806
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -19.292
flat angles C4'-P-C4' energy: -18.459
flat angles P-C4'-P energy: -14.851
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: 4, replica: 5
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -170.680126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.680126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.680126 (E_RNA)
where:
Base-Base interactions energy: -106.802
where: short stacking energy: -50.657
Base-Backbone interact. energy: 0.978
local terms energy: -64.855690
where:
bonds (distance) C4'-P energy: -18.915
bonds (distance) P-C4' energy: -13.900
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: -3.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -174.615224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.615224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.615224 (E_RNA)
where:
Base-Base interactions energy: -101.946
where: short stacking energy: -51.612
Base-Backbone interact. energy: 0.009
local terms energy: -72.677920
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -19.944
flat angles C4'-P-C4' energy: -11.293
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -15.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -212.683503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.683503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.683503 (E_RNA)
where:
Base-Base interactions energy: -128.386
where: short stacking energy: -64.591
Base-Backbone interact. energy: 0.374
local terms energy: -84.671448
where:
bonds (distance) C4'-P energy: -17.478
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -17.435
flat angles P-C4'-P energy: -11.201
tors. eta vs tors. theta energy: -20.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -98.642090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.642090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.642090 (E_RNA)
where:
Base-Base interactions energy: -47.144
where: short stacking energy: -22.123
Base-Backbone interact. energy: -0.530
local terms energy: -50.967830
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -16.229
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: 5.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -87.939277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.939277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.939277 (E_RNA)
where:
Base-Base interactions energy: -40.352
where: short stacking energy: -38.239
Base-Backbone interact. energy: 0.264
local terms energy: -47.851930
where:
bonds (distance) C4'-P energy: -5.488
bonds (distance) P-C4' energy: -16.941
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -0.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -94.295160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.295160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.295160 (E_RNA)
where:
Base-Base interactions energy: -39.748
where: short stacking energy: -30.567
Base-Backbone interact. energy: 0.502
local terms energy: -55.049318
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: -1.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -73.474677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.474677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.474677 (E_RNA)
where:
Base-Base interactions energy: -24.416
where: short stacking energy: -25.380
Base-Backbone interact. energy: -0.430
local terms energy: -48.628697
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -3.191
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: 1, replica: 9
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -262.491808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.491808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.491808 (E_RNA)
where:
Base-Base interactions energy: -166.569
where: short stacking energy: -83.242
Base-Backbone interact. energy: 0.747
local terms energy: -96.669458
where:
bonds (distance) C4'-P energy: -18.607
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -18.080
flat angles P-C4'-P energy: -15.113
tors. eta vs tors. theta energy: -26.282
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: 6
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -248.943931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.943931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.943931 (E_RNA)
where:
Base-Base interactions energy: -163.899
where: short stacking energy: -76.240
Base-Backbone interact. energy: -0.304
local terms energy: -84.740139
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -17.974
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: -26.433
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: 7
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -254.959850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.959850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.959850 (E_RNA)
where:
Base-Base interactions energy: -166.535
where: short stacking energy: -82.951
Base-Backbone interact. energy: -0.990
local terms energy: -87.435465
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -16.253
tors. eta vs tors. theta energy: -24.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -198.827909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.827909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.827909 (E_RNA)
where:
Base-Base interactions energy: -120.142
where: short stacking energy: -56.872
Base-Backbone interact. energy: -0.027
local terms energy: -78.658859
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -17.208
flat angles P-C4'-P energy: -12.739
tors. eta vs tors. theta energy: -16.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -154.697918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.697918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.697918 (E_RNA)
where:
Base-Base interactions energy: -91.368
where: short stacking energy: -45.216
Base-Backbone interact. energy: -0.233
local terms energy: -63.097374
where:
bonds (distance) C4'-P energy: -18.263
bonds (distance) P-C4' energy: -15.139
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -6.368
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: 1
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -195.635430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.635430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.635430 (E_RNA)
where:
Base-Base interactions energy: -117.152
where: short stacking energy: -61.859
Base-Backbone interact. energy: -0.511
local terms energy: -77.971822
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -13.228
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -13.151
tors. eta vs tors. theta energy: -23.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -124.297324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.297324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.297324 (E_RNA)
where:
Base-Base interactions energy: -56.916
where: short stacking energy: -32.760
Base-Backbone interact. energy: 0.407
local terms energy: -67.788062
where:
bonds (distance) C4'-P energy: -20.586
bonds (distance) P-C4' energy: -16.180
flat angles C4'-P-C4' energy: -16.387
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: -6.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -91.156018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.156018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.156018 (E_RNA)
where:
Base-Base interactions energy: -38.079
where: short stacking energy: -23.880
Base-Backbone interact. energy: -0.299
local terms energy: -52.778260
where:
bonds (distance) C4'-P energy: -18.324
bonds (distance) P-C4' energy: -19.380
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -1.632
tors. eta vs tors. theta energy: 1.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -95.633253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.633253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.633253 (E_RNA)
where:
Base-Base interactions energy: -31.319
where: short stacking energy: -20.048
Base-Backbone interact. energy: 0.097
local terms energy: -64.412016
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -17.130
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -13.391
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: 10, replica: 3
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -85.060085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.060085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.060085 (E_RNA)
where:
Base-Base interactions energy: -26.063
where: short stacking energy: -26.063
Base-Backbone interact. energy: -0.103
local terms energy: -58.894410
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -10.351
flat angles P-C4'-P energy: -14.993
tors. eta vs tors. theta energy: -3.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -258.844537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.844537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.844537 (E_RNA)
where:
Base-Base interactions energy: -162.593
where: short stacking energy: -77.495
Base-Backbone interact. energy: -0.090
local terms energy: -96.161172
where:
bonds (distance) C4'-P energy: -17.713
bonds (distance) P-C4' energy: -18.886
flat angles C4'-P-C4' energy: -20.296
flat angles P-C4'-P energy: -13.231
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: 9
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -257.210956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.210956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.210956 (E_RNA)
where:
Base-Base interactions energy: -171.844
where: short stacking energy: -86.966
Base-Backbone interact. energy: 1.039
local terms energy: -86.406497
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -18.698
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -24.873
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: 7
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -253.779512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.779512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.779512 (E_RNA)
where:
Base-Base interactions energy: -173.278
where: short stacking energy: -81.357
Base-Backbone interact. energy: -0.435
local terms energy: -80.066482
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -17.048
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -20.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -198.150434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.150434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.150434 (E_RNA)
where:
Base-Base interactions energy: -126.041
where: short stacking energy: -64.627
Base-Backbone interact. energy: -0.079
local terms energy: -72.030151
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -17.732
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: -14.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -188.748988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.748988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.748988 (E_RNA)
where:
Base-Base interactions energy: -108.441
where: short stacking energy: -51.991
Base-Backbone interact. energy: -0.163
local terms energy: -80.145795
where:
bonds (distance) C4'-P energy: -17.788
bonds (distance) P-C4' energy: -16.720
flat angles C4'-P-C4' energy: -17.748
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -18.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -171.004689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.004689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.004689 (E_RNA)
where:
Base-Base interactions energy: -105.799
where: short stacking energy: -48.705
Base-Backbone interact. energy: -0.827
local terms energy: -64.378614
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -12.170
flat angles C4'-P-C4' energy: -12.458
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -14.273
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: 10
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -98.399065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.399065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.399065 (E_RNA)
where:
Base-Base interactions energy: -42.631
where: short stacking energy: -26.610
Base-Backbone interact. energy: -0.403
local terms energy: -55.364279
where:
bonds (distance) C4'-P energy: -18.466
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -5.763
tors. eta vs tors. theta energy: -3.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -106.158659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.158659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.158659 (E_RNA)
where:
Base-Base interactions energy: -52.237
where: short stacking energy: -25.990
Base-Backbone interact. energy: -0.474
local terms energy: -53.447491
where:
bonds (distance) C4'-P energy: -10.290
bonds (distance) P-C4' energy: -19.711
flat angles C4'-P-C4' energy: -10.994
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -3.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -100.788129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.788129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.788129 (E_RNA)
where:
Base-Base interactions energy: -33.715
where: short stacking energy: -29.805
Base-Backbone interact. energy: -0.204
local terms energy: -66.869636
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -17.431
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -8.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -81.266612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.266612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.266612 (E_RNA)
where:
Base-Base interactions energy: -32.645
where: short stacking energy: -32.645
Base-Backbone interact. energy: 1.196
local terms energy: -49.817087
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -13.814
flat angles C4'-P-C4' energy: -9.473
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -2.382
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: 1, replica: 6
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -251.063811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.063811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.063811 (E_RNA)
where:
Base-Base interactions energy: -165.125
where: short stacking energy: -64.953
Base-Backbone interact. energy: -0.519
local terms energy: -85.420282
where:
bonds (distance) C4'-P energy: -18.450
bonds (distance) P-C4' energy: -19.569
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -14.263
tors. eta vs tors. theta energy: -15.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -249.628267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.628267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.628267 (E_RNA)
where:
Base-Base interactions energy: -169.874
where: short stacking energy: -72.704
Base-Backbone interact. energy: -1.199
local terms energy: -78.554933
where:
bonds (distance) C4'-P energy: -10.915
bonds (distance) P-C4' energy: -19.513
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -12.953
tors. eta vs tors. theta energy: -18.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -253.467757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.467757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.467757 (E_RNA)
where:
Base-Base interactions energy: -169.771
where: short stacking energy: -74.640
Base-Backbone interact. energy: 0.898
local terms energy: -84.594841
where:
bonds (distance) C4'-P energy: -18.711
bonds (distance) P-C4' energy: -12.022
flat angles C4'-P-C4' energy: -16.271
flat angles P-C4'-P energy: -15.235
tors. eta vs tors. theta energy: -22.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -192.401119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.401119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.401119 (E_RNA)
where:
Base-Base interactions energy: -122.709
where: short stacking energy: -55.476
Base-Backbone interact. energy: -1.256
local terms energy: -68.436431
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -12.053
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -15.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -192.588826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.588826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.588826 (E_RNA)
where:
Base-Base interactions energy: -113.944
where: short stacking energy: -51.796
Base-Backbone interact. energy: -0.076
local terms energy: -78.568709
where:
bonds (distance) C4'-P energy: -17.135
bonds (distance) P-C4' energy: -16.144
flat angles C4'-P-C4' energy: -17.692
flat angles P-C4'-P energy: -12.655
tors. eta vs tors. theta energy: -14.942
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: 5
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -196.122176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.122176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.122176 (E_RNA)
where:
Base-Base interactions energy: -125.940
where: short stacking energy: -59.679
Base-Backbone interact. energy: -0.061
local terms energy: -70.121164
where:
bonds (distance) C4'-P energy: -10.029
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -13.676
tors. eta vs tors. theta energy: -16.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -93.632535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.632535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.632535 (E_RNA)
where:
Base-Base interactions energy: -35.751
where: short stacking energy: -30.156
Base-Backbone interact. energy: -0.353
local terms energy: -57.528011
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -16.825
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -0.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -94.600551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.600551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.600551 (E_RNA)
where:
Base-Base interactions energy: -28.166
where: short stacking energy: -22.562
Base-Backbone interact. energy: -0.035
local terms energy: -66.399813
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -13.839
tors. eta vs tors. theta energy: -6.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -95.503862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.503862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.503862 (E_RNA)
where:
Base-Base interactions energy: -42.141
where: short stacking energy: -21.535
Base-Backbone interact. energy: -0.331
local terms energy: -53.032019
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: 3.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -88.721262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.721262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.721262 (E_RNA)
where:
Base-Base interactions energy: -29.741
where: short stacking energy: -20.630
Base-Backbone interact. energy: -0.073
local terms energy: -58.906882
where:
bonds (distance) C4'-P energy: -17.064
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -6.572
tors. eta vs tors. theta energy: -2.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -261.772481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.772481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.772481 (E_RNA)
where:
Base-Base interactions energy: -173.108
where: short stacking energy: -80.575
Base-Backbone interact. energy: -0.076
local terms energy: -88.588681
where:
bonds (distance) C4'-P energy: -19.308
bonds (distance) P-C4' energy: -14.862
flat angles C4'-P-C4' energy: -16.953
flat angles P-C4'-P energy: -13.302
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: 2, replica: 9
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -238.743118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.743118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.743118 (E_RNA)
where:
Base-Base interactions energy: -157.591
where: short stacking energy: -66.279
Base-Backbone interact. energy: -0.021
local terms energy: -81.130516
where:
bonds (distance) C4'-P energy: -17.104
bonds (distance) P-C4' energy: -13.354
flat angles C4'-P-C4' energy: -19.254
flat angles P-C4'-P energy: -12.987
tors. eta vs tors. theta energy: -18.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -243.413196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.413196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.413196 (E_RNA)
where:
Base-Base interactions energy: -156.835
where: short stacking energy: -68.579
Base-Backbone interact. energy: -0.092
local terms energy: -86.486284
where:
bonds (distance) C4'-P energy: -15.847
bonds (distance) P-C4' energy: -19.226
flat angles C4'-P-C4' energy: -19.128
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -21.006
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: 1
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -198.669141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.669141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.669141 (E_RNA)
where:
Base-Base interactions energy: -115.803
where: short stacking energy: -61.485
Base-Backbone interact. energy: -0.504
local terms energy: -82.362529
where:
bonds (distance) C4'-P energy: -17.518
bonds (distance) P-C4' energy: -17.415
flat angles C4'-P-C4' energy: -17.944
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: -21.741
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: 4
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -205.345695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.345695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.345695 (E_RNA)
where:
Base-Base interactions energy: -126.967
where: short stacking energy: -58.236
Base-Backbone interact. energy: -0.034
local terms energy: -78.344264
where:
bonds (distance) C4'-P energy: -15.991
bonds (distance) P-C4' energy: -17.885
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -11.707
tors. eta vs tors. theta energy: -17.997
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: 5
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -187.907562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.907562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.907562 (E_RNA)
where:
Base-Base interactions energy: -122.845
where: short stacking energy: -49.831
Base-Backbone interact. energy: -1.033
local terms energy: -64.029616
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -9.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -100.387370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.387370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.387370 (E_RNA)
where:
Base-Base interactions energy: -49.461
where: short stacking energy: -34.138
Base-Backbone interact. energy: -0.036
local terms energy: -50.889994
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -13.154
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -1.954
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: 10
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -92.983531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.983531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.983531 (E_RNA)
where:
Base-Base interactions energy: -40.237
where: short stacking energy: -35.657
Base-Backbone interact. energy: -0.106
local terms energy: -52.640592
where:
bonds (distance) C4'-P energy: -9.109
bonds (distance) P-C4' energy: -17.928
flat angles C4'-P-C4' energy: -12.125
flat angles P-C4'-P energy: -8.325
tors. eta vs tors. theta energy: -5.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -92.753023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.753023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.753023 (E_RNA)
where:
Base-Base interactions energy: -36.099
where: short stacking energy: -29.909
Base-Backbone interact. energy: -0.189
local terms energy: -56.465278
where:
bonds (distance) C4'-P energy: -16.095
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -0.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -88.919551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.919551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.919551 (E_RNA)
where:
Base-Base interactions energy: -29.609
where: short stacking energy: -25.153
Base-Backbone interact. energy: -0.194
local terms energy: -59.116825
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -3.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -260.787934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.787934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.787934 (E_RNA)
where:
Base-Base interactions energy: -172.173
where: short stacking energy: -82.195
Base-Backbone interact. energy: -0.070
local terms energy: -88.545485
where:
bonds (distance) C4'-P energy: -17.851
bonds (distance) P-C4' energy: -19.074
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -13.040
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: 2, replica: 9
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -255.175429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.175429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.175429 (E_RNA)
where:
Base-Base interactions energy: -165.801
where: short stacking energy: -78.531
Base-Backbone interact. energy: -1.400
local terms energy: -87.974628
where:
bonds (distance) C4'-P energy: -14.697
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -15.769
tors. eta vs tors. theta energy: -24.902
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: 7
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -246.286933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.286933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.286933 (E_RNA)
where:
Base-Base interactions energy: -162.486
where: short stacking energy: -78.314
Base-Backbone interact. energy: -0.002
local terms energy: -83.799104
where:
bonds (distance) C4'-P energy: -9.354
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -21.827
flat angles P-C4'-P energy: -13.370
tors. eta vs tors. theta energy: -22.369
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: 1
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -197.780969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.780969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.780969 (E_RNA)
where:
Base-Base interactions energy: -116.804
where: short stacking energy: -56.648
Base-Backbone interact. energy: -0.581
local terms energy: -80.395373
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -18.671
flat angles C4'-P-C4' energy: -16.280
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -19.465
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: 5, replica: 4
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -224.761137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.761137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.761137 (E_RNA)
where:
Base-Base interactions energy: -143.343
where: short stacking energy: -69.318
Base-Backbone interact. energy: -0.383
local terms energy: -81.034719
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -18.125
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -22.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -185.515110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.515110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.515110 (E_RNA)
where:
Base-Base interactions energy: -117.207
where: short stacking energy: -51.718
Base-Backbone interact. energy: -0.042
local terms energy: -68.265879
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -17.853
flat angles P-C4'-P energy: -8.515
tors. eta vs tors. theta energy: -12.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -110.363642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.363642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.363642 (E_RNA)
where:
Base-Base interactions energy: -53.917
where: short stacking energy: -41.257
Base-Backbone interact. energy: 0.251
local terms energy: -56.697399
where:
bonds (distance) C4'-P energy: -11.094
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -16.181
flat angles P-C4'-P energy: -6.230
tors. eta vs tors. theta energy: -9.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -104.838930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.838930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.838930 (E_RNA)
where:
Base-Base interactions energy: -40.418
where: short stacking energy: -40.418
Base-Backbone interact. energy: -0.054
local terms energy: -64.367003
where:
bonds (distance) C4'-P energy: -11.587
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -13.618
tors. eta vs tors. theta energy: -10.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -88.211951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.211951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.211951 (E_RNA)
where:
Base-Base interactions energy: -36.167
where: short stacking energy: -36.167
Base-Backbone interact. energy: 2.302
local terms energy: -54.346238
where:
bonds (distance) C4'-P energy: -11.383
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -12.011
flat angles P-C4'-P energy: -6.609
tors. eta vs tors. theta energy: -7.730
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: 2
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -77.751693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.751693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.751693 (E_RNA)
where:
Base-Base interactions energy: -24.206
where: short stacking energy: -20.095
Base-Backbone interact. energy: -2.168
local terms energy: -51.377666
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -7.109
tors. eta vs tors. theta energy: -1.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -249.985962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.985962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.985962 (E_RNA)
where:
Base-Base interactions energy: -164.961
where: short stacking energy: -70.897
Base-Backbone interact. energy: -0.007
local terms energy: -85.018182
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -13.350
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -14.511
tors. eta vs tors. theta energy: -24.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -256.557166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.557166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.557166 (E_RNA)
where:
Base-Base interactions energy: -168.753
where: short stacking energy: -85.369
Base-Backbone interact. energy: -0.002
local terms energy: -87.802302
where:
bonds (distance) C4'-P energy: -10.850
bonds (distance) P-C4' energy: -19.681
flat angles C4'-P-C4' energy: -16.993
flat angles P-C4'-P energy: -16.981
tors. eta vs tors. theta energy: -23.297
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: 7
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -247.312410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.312410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.312410 (E_RNA)
where:
Base-Base interactions energy: -163.249
where: short stacking energy: -76.259
Base-Backbone interact. energy: -0.049
local terms energy: -84.013984
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -17.851
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -11.636
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: 4, replica: 1
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -198.496598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.496598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.496598 (E_RNA)
where:
Base-Base interactions energy: -119.534
where: short stacking energy: -44.926
Base-Backbone interact. energy: 0.159
local terms energy: -79.122328
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -18.657
flat angles C4'-P-C4' energy: -16.818
flat angles P-C4'-P energy: -14.285
tors. eta vs tors. theta energy: -14.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -229.709994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.709994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.709994 (E_RNA)
where:
Base-Base interactions energy: -142.985
where: short stacking energy: -60.910
Base-Backbone interact. energy: -0.286
local terms energy: -86.438854
where:
bonds (distance) C4'-P energy: -18.605
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -14.094
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: 408
Temperature: 1.150000
Total energy: -187.690747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.690747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.690747 (E_RNA)
where:
Base-Base interactions energy: -113.797
where: short stacking energy: -54.823
Base-Backbone interact. energy: -0.051
local terms energy: -73.843323
where:
bonds (distance) C4'-P energy: -17.129
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -16.066
flat angles P-C4'-P energy: -7.760
tors. eta vs tors. theta energy: -14.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -94.837720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.837720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.837720 (E_RNA)
where:
Base-Base interactions energy: -35.875
where: short stacking energy: -26.066
Base-Backbone interact. energy: -0.869
local terms energy: -58.093534
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -12.514
tors. eta vs tors. theta energy: 1.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -96.746738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.746738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.746738 (E_RNA)
where:
Base-Base interactions energy: -37.203
where: short stacking energy: -37.203
Base-Backbone interact. energy: -0.498
local terms energy: -59.045980
where:
bonds (distance) C4'-P energy: -12.316
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -10.889
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: 2
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -80.478719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.478719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.478719 (E_RNA)
where:
Base-Base interactions energy: -30.555
where: short stacking energy: -24.124
Base-Backbone interact. energy: -0.261
local terms energy: -49.662783
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -16.996
flat angles C4'-P-C4' energy: -10.337
flat angles P-C4'-P energy: -7.543
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: 10, replica: 10
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -99.772431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.772431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.772431 (E_RNA)
where:
Base-Base interactions energy: -46.931
where: short stacking energy: -29.147
Base-Backbone interact. energy: -0.195
local terms energy: -52.646134
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -12.027
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -2.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -238.732988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.732988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.732988 (E_RNA)
where:
Base-Base interactions energy: -156.637
where: short stacking energy: -65.681
Base-Backbone interact. energy: -0.004
local terms energy: -82.091699
where:
bonds (distance) C4'-P energy: -17.735
bonds (distance) P-C4' energy: -16.358
flat angles C4'-P-C4' energy: -18.192
flat angles P-C4'-P energy: -13.183
tors. eta vs tors. theta energy: -16.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -241.599767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.599767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.599767 (E_RNA)
where:
Base-Base interactions energy: -157.055
where: short stacking energy: -74.321
Base-Backbone interact. energy: -0.316
local terms energy: -84.228486
where:
bonds (distance) C4'-P energy: -16.711
bonds (distance) P-C4' energy: -17.149
flat angles C4'-P-C4' energy: -18.915
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -23.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -257.325369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.325369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.325369 (E_RNA)
where:
Base-Base interactions energy: -166.869
where: short stacking energy: -77.624
Base-Backbone interact. energy: -1.294
local terms energy: -89.162291
where:
bonds (distance) C4'-P energy: -19.017
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -23.371
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: 4
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -235.454413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.454413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.454413 (E_RNA)
where:
Base-Base interactions energy: -146.933
where: short stacking energy: -63.316
Base-Backbone interact. energy: -0.308
local terms energy: -88.213140
where:
bonds (distance) C4'-P energy: -18.529
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -20.662
flat angles P-C4'-P energy: -12.482
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: 5, replica: 1
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -210.019130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.019130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.019130 (E_RNA)
where:
Base-Base interactions energy: -134.509
where: short stacking energy: -60.489
Base-Backbone interact. energy: -0.351
local terms energy: -75.159215
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -10.651
flat angles P-C4'-P energy: -14.397
tors. eta vs tors. theta energy: -20.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -174.743962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.743962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.743962 (E_RNA)
where:
Base-Base interactions energy: -109.634
where: short stacking energy: -54.533
Base-Backbone interact. energy: -0.188
local terms energy: -64.922539
where:
bonds (distance) C4'-P energy: -16.830
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -7.419
tors. eta vs tors. theta energy: -13.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -84.262386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.262386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.262386 (E_RNA)
where:
Base-Base interactions energy: -33.955
where: short stacking energy: -23.817
Base-Backbone interact. energy: -0.460
local terms energy: -49.848073
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -5.461
tors. eta vs tors. theta energy: 2.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -97.272341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.272341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.272341 (E_RNA)
where:
Base-Base interactions energy: -34.993
where: short stacking energy: -31.172
Base-Backbone interact. energy: -0.605
local terms energy: -61.674370
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -19.587
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -11.723
tors. eta vs tors. theta energy: -0.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -90.793166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.793166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.793166 (E_RNA)
where:
Base-Base interactions energy: -32.558
where: short stacking energy: -32.558
Base-Backbone interact. energy: -0.488
local terms energy: -57.747485
where:
bonds (distance) C4'-P energy: -17.248
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -9.288
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -3.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -86.100377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.100377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.100377 (E_RNA)
where:
Base-Base interactions energy: -26.002
where: short stacking energy: -26.002
Base-Backbone interact. energy: 0.595
local terms energy: -60.694139
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -18.305
flat angles C4'-P-C4' energy: -11.882
flat angles P-C4'-P energy: -13.238
tors. eta vs tors. theta energy: -3.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -262.686316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.686316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.686316 (E_RNA)
where:
Base-Base interactions energy: -172.254
where: short stacking energy: -79.583
Base-Backbone interact. energy: -0.191
local terms energy: -90.241613
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -13.947
flat angles C4'-P-C4' energy: -18.477
flat angles P-C4'-P energy: -15.214
tors. eta vs tors. theta energy: -24.966
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: 6
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -239.504369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.504369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.504369 (E_RNA)
where:
Base-Base interactions energy: -151.352
where: short stacking energy: -60.422
Base-Backbone interact. energy: -0.866
local terms energy: -87.286984
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -19.076
flat angles P-C4'-P energy: -13.439
tors. eta vs tors. theta energy: -21.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -243.941363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.941363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.941363 (E_RNA)
where:
Base-Base interactions energy: -161.350
where: short stacking energy: -65.900
Base-Backbone interact. energy: -0.001
local terms energy: -82.589905
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -17.977
flat angles P-C4'-P energy: -12.926
tors. eta vs tors. theta energy: -21.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -237.085917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.085917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.085917 (E_RNA)
where:
Base-Base interactions energy: -159.717
where: short stacking energy: -68.764
Base-Backbone interact. energy: -0.018
local terms energy: -77.351111
where:
bonds (distance) C4'-P energy: -9.106
bonds (distance) P-C4' energy: -18.916
flat angles C4'-P-C4' energy: -13.689
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -23.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -221.477509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.477509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.477509 (E_RNA)
where:
Base-Base interactions energy: -140.177
where: short stacking energy: -65.508
Base-Backbone interact. energy: -0.385
local terms energy: -80.915369
where:
bonds (distance) C4'-P energy: -17.445
bonds (distance) P-C4' energy: -12.829
flat angles C4'-P-C4' energy: -17.985
flat angles P-C4'-P energy: -12.774
tors. eta vs tors. theta energy: -19.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -152.864967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.864967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.864967 (E_RNA)
where:
Base-Base interactions energy: -83.183
where: short stacking energy: -48.484
Base-Backbone interact. energy: -0.015
local terms energy: -69.667458
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -18.044
flat angles C4'-P-C4' energy: -13.909
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -10.969
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: 2
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -89.193217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.193217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.193217 (E_RNA)
where:
Base-Base interactions energy: -30.737
where: short stacking energy: -21.114
Base-Backbone interact. energy: -0.238
local terms energy: -58.218121
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -17.643
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: 1.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -86.981404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.981404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.981404 (E_RNA)
where:
Base-Base interactions energy: -37.199
where: short stacking energy: -31.335
Base-Backbone interact. energy: -1.001
local terms energy: -48.782247
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -10.695
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -6.224
tors. eta vs tors. theta energy: -3.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -89.813825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.813825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.813825 (E_RNA)
where:
Base-Base interactions energy: -31.584
where: short stacking energy: -31.584
Base-Backbone interact. energy: 0.472
local terms energy: -58.701834
where:
bonds (distance) C4'-P energy: -15.723
bonds (distance) P-C4' energy: -18.530
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -0.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -101.470668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.470668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.470668 (E_RNA)
where:
Base-Base interactions energy: -49.995
where: short stacking energy: -29.932
Base-Backbone interact. energy: -0.330
local terms energy: -51.145540
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -8.220
tors. eta vs tors. theta energy: -1.517
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: 7
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -259.595044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.595044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.595044 (E_RNA)
where:
Base-Base interactions energy: -174.582
where: short stacking energy: -77.646
Base-Backbone interact. energy: -0.701
local terms energy: -84.311618
where:
bonds (distance) C4'-P energy: -19.124
bonds (distance) P-C4' energy: -12.625
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -24.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -258.878097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.878097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.878097 (E_RNA)
where:
Base-Base interactions energy: -171.145
where: short stacking energy: -78.830
Base-Backbone interact. energy: -0.110
local terms energy: -87.623748
where:
bonds (distance) C4'-P energy: -14.129
bonds (distance) P-C4' energy: -20.579
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -16.512
tors. eta vs tors. theta energy: -20.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -246.745018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.745018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.745018 (E_RNA)
where:
Base-Base interactions energy: -160.973
where: short stacking energy: -76.021
Base-Backbone interact. energy: -0.208
local terms energy: -85.563725
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -19.806
flat angles C4'-P-C4' energy: -17.844
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -21.902
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: 4, replica: 1
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -209.541111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.541111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.541111 (E_RNA)
where:
Base-Base interactions energy: -136.631
where: short stacking energy: -59.191
Base-Backbone interact. energy: -1.002
local terms energy: -71.907772
where:
bonds (distance) C4'-P energy: -17.083
bonds (distance) P-C4' energy: -10.477
flat angles C4'-P-C4' energy: -14.150
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: -19.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -233.046517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.046517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.046517 (E_RNA)
where:
Base-Base interactions energy: -148.577
where: short stacking energy: -63.895
Base-Backbone interact. energy: -0.005
local terms energy: -84.464286
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -15.525
flat angles C4'-P-C4' energy: -17.035
flat angles P-C4'-P energy: -12.359
tors. eta vs tors. theta energy: -23.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -110.845439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.845439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.845439 (E_RNA)
where:
Base-Base interactions energy: -44.762
where: short stacking energy: -44.762
Base-Backbone interact. energy: 0.262
local terms energy: -66.346071
where:
bonds (distance) C4'-P energy: -15.301
bonds (distance) P-C4' energy: -18.567
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -9.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -145.411412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.411412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.411412 (E_RNA)
where:
Base-Base interactions energy: -84.154
where: short stacking energy: -45.970
Base-Backbone interact. energy: -0.800
local terms energy: -60.457677
where:
bonds (distance) C4'-P energy: -17.742
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -5.776
flat angles P-C4'-P energy: -7.131
tors. eta vs tors. theta energy: -10.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -92.766707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.766707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.766707 (E_RNA)
where:
Base-Base interactions energy: -33.246
where: short stacking energy: -32.371
Base-Backbone interact. energy: -0.199
local terms energy: -59.321063
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -16.340
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: 0.889
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: 3
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -93.616946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.616946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.616946 (E_RNA)
where:
Base-Base interactions energy: -32.607
where: short stacking energy: -32.607
Base-Backbone interact. energy: -0.005
local terms energy: -61.005183
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -17.341
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -8.209
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: 10
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -92.088112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.088112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.088112 (E_RNA)
where:
Base-Base interactions energy: -34.451
where: short stacking energy: -29.747
Base-Backbone interact. energy: -0.435
local terms energy: -57.202250
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -15.482
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -12.436
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: 1, replica: 7
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -253.617650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.617650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.617650 (E_RNA)
where:
Base-Base interactions energy: -164.962
where: short stacking energy: -71.765
Base-Backbone interact. energy: -0.697
local terms energy: -87.958784
where:
bonds (distance) C4'-P energy: -17.188
bonds (distance) P-C4' energy: -19.197
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -23.733
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: 9
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -255.188854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.188854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.188854 (E_RNA)
where:
Base-Base interactions energy: -166.979
where: short stacking energy: -78.903
Base-Backbone interact. energy: -0.030
local terms energy: -88.180370
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -19.855
flat angles P-C4'-P energy: -9.029
tors. eta vs tors. theta energy: -27.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -213.481388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.481388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.481388 (E_RNA)
where:
Base-Base interactions energy: -140.085
where: short stacking energy: -56.321
Base-Backbone interact. energy: -1.368
local terms energy: -72.028971
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -19.068
flat angles P-C4'-P energy: -12.328
tors. eta vs tors. theta energy: -10.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -237.636477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.636477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.636477 (E_RNA)
where:
Base-Base interactions energy: -153.440
where: short stacking energy: -70.828
Base-Backbone interact. energy: 0.618
local terms energy: -84.814106
where:
bonds (distance) C4'-P energy: -16.608
bonds (distance) P-C4' energy: -17.758
flat angles C4'-P-C4' energy: -18.557
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: -20.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -233.858899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.858899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.858899 (E_RNA)
where:
Base-Base interactions energy: -152.740
where: short stacking energy: -64.777
Base-Backbone interact. energy: 0.888
local terms energy: -82.006744
where:
bonds (distance) C4'-P energy: -14.986
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -19.263
flat angles P-C4'-P energy: -9.881
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: 2
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -107.869170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.869170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.869170 (E_RNA)
where:
Base-Base interactions energy: -45.693
where: short stacking energy: -25.852
Base-Backbone interact. energy: -0.555
local terms energy: -61.620885
where:
bonds (distance) C4'-P energy: -14.962
bonds (distance) P-C4' energy: -19.260
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -2.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -93.008176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.008176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.008176 (E_RNA)
where:
Base-Base interactions energy: -28.287
where: short stacking energy: -25.026
Base-Backbone interact. energy: -0.113
local terms energy: -64.607625
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -19.096
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -5.954
tors. eta vs tors. theta energy: -7.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -150.149348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.149348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.149348 (E_RNA)
where:
Base-Base interactions energy: -87.549
where: short stacking energy: -43.547
Base-Backbone interact. energy: -0.439
local terms energy: -62.161495
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -13.621
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -14.139
tors. eta vs tors. theta energy: -9.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -88.949054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.949054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.949054 (E_RNA)
where:
Base-Base interactions energy: -37.392
where: short stacking energy: -35.061
Base-Backbone interact. energy: -0.097
local terms energy: -51.459961
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -2.005
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: 10
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -77.296803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.296803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.296803 (E_RNA)
where:
Base-Base interactions energy: -31.702
where: short stacking energy: -28.966
Base-Backbone interact. energy: -0.276
local terms energy: -45.319017
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -16.534
flat angles C4'-P-C4' energy: -5.957
flat angles P-C4'-P energy: -5.160
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: 1, replica: 7
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -250.642876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.642876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.642876 (E_RNA)
where:
Base-Base interactions energy: -165.879
where: short stacking energy: -71.012
Base-Backbone interact. energy: -0.005
local terms energy: -84.759250
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -19.347
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -12.004
tors. eta vs tors. theta energy: -20.953
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: 9
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -251.034470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.034470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.034470 (E_RNA)
where:
Base-Base interactions energy: -163.845
where: short stacking energy: -76.768
Base-Backbone interact. energy: -0.330
local terms energy: -86.859198
where:
bonds (distance) C4'-P energy: -18.321
bonds (distance) P-C4' energy: -16.656
flat angles C4'-P-C4' energy: -17.998
flat angles P-C4'-P energy: -12.041
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: 3, replica: 1
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -222.001728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.001728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.001728 (E_RNA)
where:
Base-Base interactions energy: -139.310
where: short stacking energy: -61.313
Base-Backbone interact. energy: 3.803
local terms energy: -86.495169
where:
bonds (distance) C4'-P energy: -17.400
bonds (distance) P-C4' energy: -19.127
flat angles C4'-P-C4' energy: -17.899
flat angles P-C4'-P energy: -12.182
tors. eta vs tors. theta energy: -19.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -237.583621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.583621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.583621 (E_RNA)
where:
Base-Base interactions energy: -158.602
where: short stacking energy: -76.573
Base-Backbone interact. energy: -0.015
local terms energy: -78.966544
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -17.163
flat angles P-C4'-P energy: -14.843
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: 5, replica: 4
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -218.176186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.176186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.176186 (E_RNA)
where:
Base-Base interactions energy: -140.870
where: short stacking energy: -59.761
Base-Backbone interact. energy: -0.233
local terms energy: -77.072739
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: -20.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -104.330047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.330047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.330047 (E_RNA)
where:
Base-Base interactions energy: -44.151
where: short stacking energy: -37.054
Base-Backbone interact. energy: -0.116
local terms energy: -60.062681
where:
bonds (distance) C4'-P energy: -16.257
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -18.944
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -1.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -96.140997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.140997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.140997 (E_RNA)
where:
Base-Base interactions energy: -37.510
where: short stacking energy: -31.987
Base-Backbone interact. energy: -1.550
local terms energy: -57.080880
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -15.623
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -2.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -132.787657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.787657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.787657 (E_RNA)
where:
Base-Base interactions energy: -72.584
where: short stacking energy: -40.855
Base-Backbone interact. energy: -0.636
local terms energy: -59.566778
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -16.530
flat angles P-C4'-P energy: -11.446
tors. eta vs tors. theta energy: -5.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -93.012460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.012460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.012460 (E_RNA)
where:
Base-Base interactions energy: -34.728
where: short stacking energy: -28.206
Base-Backbone interact. energy: -0.231
local terms energy: -58.053563
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -6.527
tors. eta vs tors. theta energy: -8.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -80.235075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.235075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.235075 (E_RNA)
where:
Base-Base interactions energy: -28.608
where: short stacking energy: -28.559
Base-Backbone interact. energy: -0.551
local terms energy: -51.075651
where:
bonds (distance) C4'-P energy: -8.492
bonds (distance) P-C4' energy: -10.790
flat angles C4'-P-C4' energy: -18.948
flat angles P-C4'-P energy: -5.544
tors. eta vs tors. theta energy: -7.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -262.907928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.907928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.907928 (E_RNA)
where:
Base-Base interactions energy: -170.746
where: short stacking energy: -86.886
Base-Backbone interact. energy: -0.030
local terms energy: -92.131794
where:
bonds (distance) C4'-P energy: -18.886
bonds (distance) P-C4' energy: -17.884
flat angles C4'-P-C4' energy: -17.941
flat angles P-C4'-P energy: -11.111
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: 2, replica: 7
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -243.149615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.149615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.149615 (E_RNA)
where:
Base-Base interactions energy: -155.158
where: short stacking energy: -73.486
Base-Backbone interact. energy: 0.866
local terms energy: -88.858311
where:
bonds (distance) C4'-P energy: -17.713
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -18.114
flat angles P-C4'-P energy: -13.083
tors. eta vs tors. theta energy: -22.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -244.277307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.277307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.277307 (E_RNA)
where:
Base-Base interactions energy: -156.578
where: short stacking energy: -78.526
Base-Backbone interact. energy: -0.107
local terms energy: -87.591692
where:
bonds (distance) C4'-P energy: -16.298
bonds (distance) P-C4' energy: -14.609
flat angles C4'-P-C4' energy: -17.626
flat angles P-C4'-P energy: -13.397
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: 4, replica: 1
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -215.905161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.905161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.905161 (E_RNA)
where:
Base-Base interactions energy: -138.609
where: short stacking energy: -60.450
Base-Backbone interact. energy: -0.605
local terms energy: -76.690589
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -8.484
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -12.638
tors. eta vs tors. theta energy: -22.657
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: 4
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -229.479292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.479292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.479292 (E_RNA)
where:
Base-Base interactions energy: -148.012
where: short stacking energy: -61.810
Base-Backbone interact. energy: -1.001
local terms energy: -80.466314
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -12.062
flat angles C4'-P-C4' energy: -19.569
flat angles P-C4'-P energy: -14.062
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: 6, replica: 8
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -102.913422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.913422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.913422 (E_RNA)
where:
Base-Base interactions energy: -35.050
where: short stacking energy: -26.429
Base-Backbone interact. energy: -0.865
local terms energy: -66.998230
where:
bonds (distance) C4'-P energy: -19.212
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -17.841
flat angles P-C4'-P energy: -7.707
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: 7, replica: 5
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -151.444798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.444798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.444798 (E_RNA)
where:
Base-Base interactions energy: -79.504
where: short stacking energy: -40.996
Base-Backbone interact. energy: -0.125
local terms energy: -71.815465
where:
bonds (distance) C4'-P energy: -14.296
bonds (distance) P-C4' energy: -17.148
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -12.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -92.244638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.244638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.244638 (E_RNA)
where:
Base-Base interactions energy: -34.662
where: short stacking energy: -34.662
Base-Backbone interact. energy: -0.014
local terms energy: -57.568553
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -10.339
flat angles C4'-P-C4' energy: -19.701
flat angles P-C4'-P energy: -6.970
tors. eta vs tors. theta energy: -5.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -86.543975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.543975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.543975 (E_RNA)
where:
Base-Base interactions energy: -23.065
where: short stacking energy: -21.823
Base-Backbone interact. energy: -0.146
local terms energy: -63.333292
where:
bonds (distance) C4'-P energy: -17.898
bonds (distance) P-C4' energy: -13.199
flat angles C4'-P-C4' energy: -12.753
flat angles P-C4'-P energy: -9.681
tors. eta vs tors. theta energy: -9.802
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: 3
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -85.160354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.160354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.160354 (E_RNA)
where:
Base-Base interactions energy: -36.138
where: short stacking energy: -24.499
Base-Backbone interact. energy: -0.030
local terms energy: -48.992490
where:
bonds (distance) C4'-P energy: -14.328
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -6.316
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -3.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -258.973688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.973688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.973688 (E_RNA)
where:
Base-Base interactions energy: -163.569
where: short stacking energy: -80.363
Base-Backbone interact. energy: -0.002
local terms energy: -95.403244
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -18.341
flat angles P-C4'-P energy: -16.929
tors. eta vs tors. theta energy: -24.216
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: 415
Temperature: 0.950000
Total energy: -249.744483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.744483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.744483 (E_RNA)
where:
Base-Base interactions energy: -156.175
where: short stacking energy: -70.887
Base-Backbone interact. energy: -0.226
local terms energy: -93.343457
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -18.521
flat angles C4'-P-C4' energy: -19.262
flat angles P-C4'-P energy: -17.493
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: 7
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -231.573816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.573816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.573816 (E_RNA)
where:
Base-Base interactions energy: -148.016
where: short stacking energy: -69.132
Base-Backbone interact. energy: -0.025
local terms energy: -83.532972
where:
bonds (distance) C4'-P energy: -16.995
bonds (distance) P-C4' energy: -17.928
flat angles C4'-P-C4' energy: -18.587
flat angles P-C4'-P energy: -11.798
tors. eta vs tors. theta energy: -18.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -200.817880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.817880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.817880 (E_RNA)
where:
Base-Base interactions energy: -126.247
where: short stacking energy: -50.343
Base-Backbone interact. energy: -0.314
local terms energy: -74.257251
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -14.413
tors. eta vs tors. theta energy: -10.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -210.133087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.133087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.133087 (E_RNA)
where:
Base-Base interactions energy: -121.243
where: short stacking energy: -58.110
Base-Backbone interact. energy: -0.541
local terms energy: -88.349080
where:
bonds (distance) C4'-P energy: -17.577
bonds (distance) P-C4' energy: -20.898
flat angles C4'-P-C4' energy: -17.663
flat angles P-C4'-P energy: -14.058
tors. eta vs tors. theta energy: -18.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -154.888856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.888856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.888856 (E_RNA)
where:
Base-Base interactions energy: -91.544
where: short stacking energy: -48.496
Base-Backbone interact. energy: -0.129
local terms energy: -63.215444
where:
bonds (distance) C4'-P energy: -18.192
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -5.293
tors. eta vs tors. theta energy: -12.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -117.657398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.657398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.657398 (E_RNA)
where:
Base-Base interactions energy: -65.789
where: short stacking energy: -48.111
Base-Backbone interact. energy: -0.277
local terms energy: -51.590511
where:
bonds (distance) C4'-P energy: -9.782
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -14.572
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -1.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -96.193240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.193240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.193240 (E_RNA)
where:
Base-Base interactions energy: -44.591
where: short stacking energy: -17.625
Base-Backbone interact. energy: -0.969
local terms energy: -50.632488
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -11.702
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: 2.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -82.708406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.708406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.708406 (E_RNA)
where:
Base-Base interactions energy: -32.450
where: short stacking energy: -30.853
Base-Backbone interact. energy: -0.161
local terms energy: -50.097128
where:
bonds (distance) C4'-P energy: -12.249
bonds (distance) P-C4' energy: -18.253
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -1.060
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: 10, replica: 3
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -78.437207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.437207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.437207 (E_RNA)
where:
Base-Base interactions energy: -29.225
where: short stacking energy: -20.844
Base-Backbone interact. energy: 0.477
local terms energy: -49.688966
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -10.597
flat angles P-C4'-P energy: -13.181
tors. eta vs tors. theta energy: 1.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -266.108637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.108637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.108637 (E_RNA)
where:
Base-Base interactions energy: -167.730
where: short stacking energy: -83.515
Base-Backbone interact. energy: -0.030
local terms energy: -98.348307
where:
bonds (distance) C4'-P energy: -18.320
bonds (distance) P-C4' energy: -17.170
flat angles C4'-P-C4' energy: -18.968
flat angles P-C4'-P energy: -16.719
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: 2, replica: 6
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -249.035946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.035946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.035946 (E_RNA)
where:
Base-Base interactions energy: -164.138
where: short stacking energy: -80.053
Base-Backbone interact. energy: -0.002
local terms energy: -84.896097
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -13.836
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: 3, replica: 7
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -228.678206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.678206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.678206 (E_RNA)
where:
Base-Base interactions energy: -147.003
where: short stacking energy: -68.973
Base-Backbone interact. energy: -0.076
local terms energy: -81.599444
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -20.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -216.891426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.891426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.891426 (E_RNA)
where:
Base-Base interactions energy: -138.228
where: short stacking energy: -58.612
Base-Backbone interact. energy: -0.132
local terms energy: -78.531366
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -15.143
flat angles C4'-P-C4' energy: -18.641
flat angles P-C4'-P energy: -14.162
tors. eta vs tors. theta energy: -15.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -195.907378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.907378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.907378 (E_RNA)
where:
Base-Base interactions energy: -117.249
where: short stacking energy: -62.493
Base-Backbone interact. energy: -0.583
local terms energy: -78.075736
where:
bonds (distance) C4'-P energy: -12.971
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -16.960
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -21.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -142.768073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.768073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.768073 (E_RNA)
where:
Base-Base interactions energy: -79.160
where: short stacking energy: -36.645
Base-Backbone interact. energy: -1.154
local terms energy: -62.454350
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -15.904
flat angles C4'-P-C4' energy: -17.164
flat angles P-C4'-P energy: -5.077
tors. eta vs tors. theta energy: -9.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -100.689668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.689668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.689668 (E_RNA)
where:
Base-Base interactions energy: -42.791
where: short stacking energy: -39.519
Base-Backbone interact. energy: -0.818
local terms energy: -57.080811
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -7.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -88.345001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.345001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.345001 (E_RNA)
where:
Base-Base interactions energy: -30.439
where: short stacking energy: -28.825
Base-Backbone interact. energy: -0.134
local terms energy: -57.772003
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -18.883
flat angles C4'-P-C4' energy: -16.440
flat angles P-C4'-P energy: -4.882
tors. eta vs tors. theta energy: -5.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -91.937528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.937528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.937528 (E_RNA)
where:
Base-Base interactions energy: -36.784
where: short stacking energy: -29.358
Base-Backbone interact. energy: -0.138
local terms energy: -55.015684
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -16.724
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -0.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -88.779502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.779502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.779502 (E_RNA)
where:
Base-Base interactions energy: -31.729
where: short stacking energy: -31.133
Base-Backbone interact. energy: -0.316
local terms energy: -56.734446
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -14.066
flat angles C4'-P-C4' energy: -17.323
flat angles P-C4'-P energy: -7.567
tors. eta vs tors. theta energy: -3.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -262.380146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.380146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.380146 (E_RNA)
where:
Base-Base interactions energy: -170.035
where: short stacking energy: -81.240
Base-Backbone interact. energy: -0.006
local terms energy: -92.338525
where:
bonds (distance) C4'-P energy: -19.307
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -18.995
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -22.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -241.181711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.181711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.181711 (E_RNA)
where:
Base-Base interactions energy: -155.211
where: short stacking energy: -71.592
Base-Backbone interact. energy: -0.068
local terms energy: -85.902959
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -17.705
flat angles C4'-P-C4' energy: -19.421
flat angles P-C4'-P energy: -13.615
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: 3, replica: 6
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -250.057931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.057931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.057931 (E_RNA)
where:
Base-Base interactions energy: -159.867
where: short stacking energy: -72.651
Base-Backbone interact. energy: -0.279
local terms energy: -89.911033
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -21.586
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -12.202
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: 4, replica: 1
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -199.735139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.735139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.735139 (E_RNA)
where:
Base-Base interactions energy: -124.385
where: short stacking energy: -72.126
Base-Backbone interact. energy: -0.046
local terms energy: -75.304170
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -16.860
flat angles P-C4'-P energy: -8.481
tors. eta vs tors. theta energy: -19.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -210.928978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.928978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.928978 (E_RNA)
where:
Base-Base interactions energy: -140.175
where: short stacking energy: -61.796
Base-Backbone interact. energy: -0.125
local terms energy: -70.629327
where:
bonds (distance) C4'-P energy: -18.016
bonds (distance) P-C4' energy: -11.042
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -14.348
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: 6, replica: 10
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -102.719461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.719461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.719461 (E_RNA)
where:
Base-Base interactions energy: -37.814
where: short stacking energy: -31.943
Base-Backbone interact. energy: -1.290
local terms energy: -63.615316
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -19.231
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -6.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -162.682744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.682744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.682744 (E_RNA)
where:
Base-Base interactions energy: -97.607
where: short stacking energy: -46.702
Base-Backbone interact. energy: -0.660
local terms energy: -64.415779
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -11.837
flat angles P-C4'-P energy: -7.399
tors. eta vs tors. theta energy: -16.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -98.355622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.355622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.355622 (E_RNA)
where:
Base-Base interactions energy: -42.352
where: short stacking energy: -42.352
Base-Backbone interact. energy: -0.129
local terms energy: -55.874485
where:
bonds (distance) C4'-P energy: -17.232
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -5.376
tors. eta vs tors. theta energy: -2.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -92.874966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.874966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.874966 (E_RNA)
where:
Base-Base interactions energy: -31.261
where: short stacking energy: -29.596
Base-Backbone interact. energy: -0.121
local terms energy: -61.492622
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -18.798
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -2.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -87.233787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.233787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.233787 (E_RNA)
where:
Base-Base interactions energy: -26.176
where: short stacking energy: -24.976
Base-Backbone interact. energy: 0.269
local terms energy: -61.326805
where:
bonds (distance) C4'-P energy: -18.094
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -7.017
flat angles P-C4'-P energy: -12.086
tors. eta vs tors. theta energy: -8.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -263.324961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.324961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.324961 (E_RNA)
where:
Base-Base interactions energy: -172.168
where: short stacking energy: -79.787
Base-Backbone interact. energy: -1.157
local terms energy: -90.000470
where:
bonds (distance) C4'-P energy: -16.010
bonds (distance) P-C4' energy: -21.060
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -12.868
tors. eta vs tors. theta energy: -23.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -239.807528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.807528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.807528 (E_RNA)
where:
Base-Base interactions energy: -157.235
where: short stacking energy: -74.435
Base-Backbone interact. energy: -0.004
local terms energy: -82.569143
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -16.518
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -23.204
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: 6
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -246.694759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.694759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.694759 (E_RNA)
where:
Base-Base interactions energy: -162.728
where: short stacking energy: -65.297
Base-Backbone interact. energy: -0.003
local terms energy: -83.963787
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -18.980
flat angles C4'-P-C4' energy: -18.200
flat angles P-C4'-P energy: -5.440
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: 4, replica: 1
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -193.858827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.858827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.858827 (E_RNA)
where:
Base-Base interactions energy: -117.292
where: short stacking energy: -56.971
Base-Backbone interact. energy: -1.182
local terms energy: -75.385142
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -17.816
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -17.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -201.605540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.605540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.605540 (E_RNA)
where:
Base-Base interactions energy: -125.310
where: short stacking energy: -58.194
Base-Backbone interact. energy: -0.157
local terms energy: -76.138870
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -19.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -112.738379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.738379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.738379 (E_RNA)
where:
Base-Base interactions energy: -45.195
where: short stacking energy: -41.690
Base-Backbone interact. energy: 0.067
local terms energy: -67.610218
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -20.419
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -13.273
tors. eta vs tors. theta energy: -6.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -141.089166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.089166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.089166 (E_RNA)
where:
Base-Base interactions energy: -82.228
where: short stacking energy: -36.493
Base-Backbone interact. energy: -0.113
local terms energy: -58.747712
where:
bonds (distance) C4'-P energy: -9.188
bonds (distance) P-C4' energy: -19.735
flat angles C4'-P-C4' energy: -19.082
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -2.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -80.622317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.622317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.622317 (E_RNA)
where:
Base-Base interactions energy: -25.434
where: short stacking energy: -15.076
Base-Backbone interact. energy: -0.232
local terms energy: -54.956645
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -14.053
flat angles C4'-P-C4' energy: -12.593
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -1.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -87.376391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.376391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.376391 (E_RNA)
where:
Base-Base interactions energy: -29.715
where: short stacking energy: -24.585
Base-Backbone interact. energy: -0.288
local terms energy: -57.372787
where:
bonds (distance) C4'-P energy: -19.654
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -12.800
tors. eta vs tors. theta energy: 0.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -69.560283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.560283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.560283 (E_RNA)
where:
Base-Base interactions energy: -20.843
where: short stacking energy: -19.448
Base-Backbone interact. energy: -0.174
local terms energy: -48.542758
where:
bonds (distance) C4'-P energy: -15.714
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -7.667
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -0.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -262.176401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.176401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.176401 (E_RNA)
where:
Base-Base interactions energy: -172.120
where: short stacking energy: -88.969
Base-Backbone interact. energy: -0.040
local terms energy: -90.016107
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -17.838
flat angles C4'-P-C4' energy: -19.142
flat angles P-C4'-P energy: -13.971
tors. eta vs tors. theta energy: -25.116
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: 6
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -262.218967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.218967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.218967 (E_RNA)
where:
Base-Base interactions energy: -164.932
where: short stacking energy: -84.254
Base-Backbone interact. energy: -0.040
local terms energy: -97.247816
where:
bonds (distance) C4'-P energy: -18.144
bonds (distance) P-C4' energy: -18.721
flat angles C4'-P-C4' energy: -17.898
flat angles P-C4'-P energy: -15.030
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: 7
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -217.325913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.325913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.325913 (E_RNA)
where:
Base-Base interactions energy: -136.689
where: short stacking energy: -69.637
Base-Backbone interact. energy: -0.023
local terms energy: -80.613575
where:
bonds (distance) C4'-P energy: -16.662
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -21.090
flat angles P-C4'-P energy: -12.202
tors. eta vs tors. theta energy: -16.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -202.352839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.352839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.352839 (E_RNA)
where:
Base-Base interactions energy: -120.881
where: short stacking energy: -55.943
Base-Backbone interact. energy: 0.531
local terms energy: -82.003563
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -20.774
flat angles C4'-P-C4' energy: -18.239
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -19.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -181.848568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.848568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.848568 (E_RNA)
where:
Base-Base interactions energy: -117.078
where: short stacking energy: -45.683
Base-Backbone interact. energy: 1.879
local terms energy: -66.649306
where:
bonds (distance) C4'-P energy: -17.556
bonds (distance) P-C4' energy: -18.513
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -7.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -155.780955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.780955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.780955 (E_RNA)
where:
Base-Base interactions energy: -78.344
where: short stacking energy: -39.409
Base-Backbone interact. energy: -0.506
local terms energy: -76.931479
where:
bonds (distance) C4'-P energy: -16.960
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -19.750
flat angles P-C4'-P energy: -9.418
tors. eta vs tors. theta energy: -13.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -89.796040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.796040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.796040 (E_RNA)
where:
Base-Base interactions energy: -30.133
where: short stacking energy: -24.027
Base-Backbone interact. energy: 0.878
local terms energy: -60.540744
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -16.601
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: -1.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -97.409934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.409934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.409934 (E_RNA)
where:
Base-Base interactions energy: -29.512
where: short stacking energy: -29.512
Base-Backbone interact. energy: -0.168
local terms energy: -67.730613
where:
bonds (distance) C4'-P energy: -19.266
bonds (distance) P-C4' energy: -18.710
flat angles C4'-P-C4' energy: -11.241
flat angles P-C4'-P energy: -11.977
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: 9, replica: 8
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -91.028680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.028680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.028680 (E_RNA)
where:
Base-Base interactions energy: -37.973
where: short stacking energy: -28.866
Base-Backbone interact. energy: -0.418
local terms energy: -52.638034
where:
bonds (distance) C4'-P energy: -10.313
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -9.643
flat angles P-C4'-P energy: -9.286
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: 10, replica: 2
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -81.357275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.357275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.357275 (E_RNA)
where:
Base-Base interactions energy: -29.517
where: short stacking energy: -16.631
Base-Backbone interact. energy: -0.186
local terms energy: -51.654364
where:
bonds (distance) C4'-P energy: -10.943
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -15.920
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: 2.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -259.501684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.501684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.501684 (E_RNA)
where:
Base-Base interactions energy: -171.281
where: short stacking energy: -83.047
Base-Backbone interact. energy: -1.156
local terms energy: -87.064670
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -18.046
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -26.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -249.252453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.252453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.252453 (E_RNA)
where:
Base-Base interactions energy: -165.091
where: short stacking energy: -74.457
Base-Backbone interact. energy: 0.003
local terms energy: -84.164260
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -17.339
flat angles P-C4'-P energy: -15.769
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: 3, replica: 1
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -194.355880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.355880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.355880 (E_RNA)
where:
Base-Base interactions energy: -115.724
where: short stacking energy: -56.029
Base-Backbone interact. energy: -0.168
local terms energy: -78.463055
where:
bonds (distance) C4'-P energy: -15.657
bonds (distance) P-C4' energy: -19.461
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -11.340
tors. eta vs tors. theta energy: -16.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -227.983434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.983434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.983434 (E_RNA)
where:
Base-Base interactions energy: -146.957
where: short stacking energy: -64.924
Base-Backbone interact. energy: -0.058
local terms energy: -80.967954
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -20.233
flat angles C4'-P-C4' energy: -18.677
flat angles P-C4'-P energy: -10.294
tors. eta vs tors. theta energy: -16.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -168.738141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.738141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.738141 (E_RNA)
where:
Base-Base interactions energy: -104.019
where: short stacking energy: -35.003
Base-Backbone interact. energy: -0.369
local terms energy: -64.350462
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -16.845
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -11.270
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: 6, replica: 5
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -183.596177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.596177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.596177 (E_RNA)
where:
Base-Base interactions energy: -113.802
where: short stacking energy: -55.361
Base-Backbone interact. energy: -0.488
local terms energy: -69.306216
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -10.051
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -17.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -97.189436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.189436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.189436 (E_RNA)
where:
Base-Base interactions energy: -36.229
where: short stacking energy: -31.684
Base-Backbone interact. energy: -0.038
local terms energy: -60.922876
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -16.584
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -8.421
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: 8, replica: 10
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -87.711295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.711295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.711295 (E_RNA)
where:
Base-Base interactions energy: -31.758
where: short stacking energy: -21.423
Base-Backbone interact. energy: 0.916
local terms energy: -56.868613
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -17.436
flat angles P-C4'-P energy: -7.316
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: 9, replica: 2
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -90.868024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.868024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.868024 (E_RNA)
where:
Base-Base interactions energy: -31.328
where: short stacking energy: -31.328
Base-Backbone interact. energy: -0.120
local terms energy: -59.419857
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -18.929
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -4.565
tors. eta vs tors. theta energy: -4.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -92.941704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.941704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.941704 (E_RNA)
where:
Base-Base interactions energy: -49.751
where: short stacking energy: -21.839
Base-Backbone interact. energy: -0.270
local terms energy: -42.920301
where:
bonds (distance) C4'-P energy: -9.304
bonds (distance) P-C4' energy: -17.829
flat angles C4'-P-C4' energy: -11.754
flat angles P-C4'-P energy: -4.980
tors. eta vs tors. theta energy: 0.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -260.502286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.502286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.502286 (E_RNA)
where:
Base-Base interactions energy: -169.038
where: short stacking energy: -85.026
Base-Backbone interact. energy: -0.523
local terms energy: -90.941567
where:
bonds (distance) C4'-P energy: -18.455
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -17.899
flat angles P-C4'-P energy: -13.883
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: 2, replica: 9
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -250.540263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.540263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.540263 (E_RNA)
where:
Base-Base interactions energy: -153.681
where: short stacking energy: -73.029
Base-Backbone interact. energy: -0.008
local terms energy: -96.851010
where:
bonds (distance) C4'-P energy: -17.829
bonds (distance) P-C4' energy: -19.270
flat angles C4'-P-C4' energy: -19.649
flat angles P-C4'-P energy: -15.887
tors. eta vs tors. theta energy: -24.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -188.977289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.977289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.977289 (E_RNA)
where:
Base-Base interactions energy: -109.780
where: short stacking energy: -64.631
Base-Backbone interact. energy: -0.007
local terms energy: -79.190138
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -17.928
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: -16.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -234.701291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.701291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.701291 (E_RNA)
where:
Base-Base interactions energy: -155.907
where: short stacking energy: -66.577
Base-Backbone interact. energy: -0.015
local terms energy: -78.778448
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -15.775
tors. eta vs tors. theta energy: -17.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -169.840725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.840725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.840725 (E_RNA)
where:
Base-Base interactions energy: -92.777
where: short stacking energy: -40.767
Base-Backbone interact. energy: -0.380
local terms energy: -76.683885
where:
bonds (distance) C4'-P energy: -18.892
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -18.312
flat angles P-C4'-P energy: -14.216
tors. eta vs tors. theta energy: -9.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -177.330602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.330602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.330602 (E_RNA)
where:
Base-Base interactions energy: -104.868
where: short stacking energy: -47.090
Base-Backbone interact. energy: -0.100
local terms energy: -72.363063
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -15.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -90.572536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.572536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.572536 (E_RNA)
where:
Base-Base interactions energy: -33.107
where: short stacking energy: -21.566
Base-Backbone interact. energy: 0.543
local terms energy: -58.008749
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -11.490
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: 8, replica: 2
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -90.815031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.815031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.815031 (E_RNA)
where:
Base-Base interactions energy: -32.207
where: short stacking energy: -32.207
Base-Backbone interact. energy: -0.241
local terms energy: -58.366872
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -17.080
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -0.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -89.224245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.224245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.224245 (E_RNA)
where:
Base-Base interactions energy: -39.514
where: short stacking energy: -32.034
Base-Backbone interact. energy: -0.023
local terms energy: -49.686379
where:
bonds (distance) C4'-P energy: -7.026
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -8.202
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: 8
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -86.846563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.846563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.846563 (E_RNA)
where:
Base-Base interactions energy: -48.312
where: short stacking energy: -20.462
Base-Backbone interact. energy: -0.246
local terms energy: -38.288918
where:
bonds (distance) C4'-P energy: -5.863
bonds (distance) P-C4' energy: -9.991
flat angles C4'-P-C4' energy: -18.169
flat angles P-C4'-P energy: -4.535
tors. eta vs tors. theta energy: 0.269
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: 6
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -265.646063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.646063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.646063 (E_RNA)
where:
Base-Base interactions energy: -172.073
where: short stacking energy: -89.416
Base-Backbone interact. energy: -0.459
local terms energy: -93.113893
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -19.334
flat angles C4'-P-C4' energy: -19.528
flat angles P-C4'-P energy: -14.083
tors. eta vs tors. theta energy: -25.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -254.289292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.289292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.289292 (E_RNA)
where:
Base-Base interactions energy: -170.430
where: short stacking energy: -80.620
Base-Backbone interact. energy: -0.057
local terms energy: -83.801714
where:
bonds (distance) C4'-P energy: -13.290
bonds (distance) P-C4' energy: -15.766
flat angles C4'-P-C4' energy: -17.720
flat angles P-C4'-P energy: -14.560
tors. eta vs tors. theta energy: -22.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -248.580768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.580768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.580768 (E_RNA)
where:
Base-Base interactions energy: -163.935
where: short stacking energy: -71.770
Base-Backbone interact. energy: -0.008
local terms energy: -84.638046
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -16.887
flat angles C4'-P-C4' energy: -17.695
flat angles P-C4'-P energy: -14.153
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: 4, replica: 1
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -184.593427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.593427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.593427 (E_RNA)
where:
Base-Base interactions energy: -110.279
where: short stacking energy: -59.963
Base-Backbone interact. energy: -0.037
local terms energy: -74.277377
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -16.643
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: 4
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -179.587987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.587987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.587987 (E_RNA)
where:
Base-Base interactions energy: -109.972
where: short stacking energy: -54.069
Base-Backbone interact. energy: -0.061
local terms energy: -69.555161
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -11.611
flat angles C4'-P-C4' energy: -17.111
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -14.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -174.387239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.387239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.387239 (E_RNA)
where:
Base-Base interactions energy: -103.572
where: short stacking energy: -48.568
Base-Backbone interact. energy: -0.043
local terms energy: -70.771440
where:
bonds (distance) C4'-P energy: -17.132
bonds (distance) P-C4' energy: -14.128
flat angles C4'-P-C4' energy: -19.735
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -9.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -87.888322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.888322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.888322 (E_RNA)
where:
Base-Base interactions energy: -36.737
where: short stacking energy: -30.244
Base-Backbone interact. energy: -1.029
local terms energy: -50.121793
where:
bonds (distance) C4'-P energy: -9.981
bonds (distance) P-C4' energy: -19.783
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: 5.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -104.570857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.570857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.570857 (E_RNA)
where:
Base-Base interactions energy: -43.733
where: short stacking energy: -27.254
Base-Backbone interact. energy: -0.345
local terms energy: -60.492950
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -10.282
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -14.882
tors. eta vs tors. theta energy: -6.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -95.961600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.961600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.961600 (E_RNA)
where:
Base-Base interactions energy: -39.149
where: short stacking energy: -25.941
Base-Backbone interact. energy: -0.852
local terms energy: -55.960505
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -9.998
flat angles P-C4'-P energy: -13.460
tors. eta vs tors. theta energy: -4.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -81.476759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.476759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.476759 (E_RNA)
where:
Base-Base interactions energy: -32.536
where: short stacking energy: -28.085
Base-Backbone interact. energy: -1.468
local terms energy: -47.473444
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -12.455
flat angles P-C4'-P energy: -5.379
tors. eta vs tors. theta energy: -0.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -267.357362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.357362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.357362 (E_RNA)
where:
Base-Base interactions energy: -174.126
where: short stacking energy: -83.227
Base-Backbone interact. energy: -0.578
local terms energy: -92.653480
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -17.592
flat angles C4'-P-C4' energy: -20.859
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -26.825
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: 2, replica: 9
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -246.455625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.455625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.455625 (E_RNA)
where:
Base-Base interactions energy: -161.651
where: short stacking energy: -81.024
Base-Backbone interact. energy: -0.257
local terms energy: -84.547313
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -19.464
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -15.001
tors. eta vs tors. theta energy: -21.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -246.059625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.059625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.059625 (E_RNA)
where:
Base-Base interactions energy: -162.545
where: short stacking energy: -75.252
Base-Backbone interact. energy: -0.977
local terms energy: -82.538065
where:
bonds (distance) C4'-P energy: -15.674
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -10.384
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: 4, replica: 4
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -184.749303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.749303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.749303 (E_RNA)
where:
Base-Base interactions energy: -122.060
where: short stacking energy: -61.014
Base-Backbone interact. energy: 2.688
local terms energy: -65.377684
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -11.601
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -13.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -182.480971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.480971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.480971 (E_RNA)
where:
Base-Base interactions energy: -105.023
where: short stacking energy: -57.195
Base-Backbone interact. energy: -0.042
local terms energy: -77.415801
where:
bonds (distance) C4'-P energy: -13.620
bonds (distance) P-C4' energy: -19.831
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -15.084
tors. eta vs tors. theta energy: -12.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -192.573414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.573414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.573414 (E_RNA)
where:
Base-Base interactions energy: -114.940
where: short stacking energy: -58.983
Base-Backbone interact. energy: -0.086
local terms energy: -77.546901
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -12.764
flat angles C4'-P-C4' energy: -19.666
flat angles P-C4'-P energy: -13.906
tors. eta vs tors. theta energy: -16.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -88.760830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.760830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.760830 (E_RNA)
where:
Base-Base interactions energy: -34.463
where: short stacking energy: -21.412
Base-Backbone interact. energy: -0.171
local terms energy: -54.126806
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -19.718
flat angles C4'-P-C4' energy: -12.064
flat angles P-C4'-P energy: -6.899
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: 8, replica: 8
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -109.466687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.466687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.466687 (E_RNA)
where:
Base-Base interactions energy: -59.589
where: short stacking energy: -36.061
Base-Backbone interact. energy: -0.111
local terms energy: -49.766690
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -8.524
flat angles C4'-P-C4' energy: -14.011
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: -6.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -94.725173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.725173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.725173 (E_RNA)
where:
Base-Base interactions energy: -39.099
where: short stacking energy: -31.202
Base-Backbone interact. energy: -0.071
local terms energy: -55.554895
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -15.827
flat angles C4'-P-C4' energy: -9.827
flat angles P-C4'-P energy: -11.343
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: 10
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -75.877566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.877566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.877566 (E_RNA)
where:
Base-Base interactions energy: -23.214
where: short stacking energy: -21.018
Base-Backbone interact. energy: -0.143
local terms energy: -52.520351
where:
bonds (distance) C4'-P energy: -17.378
bonds (distance) P-C4' energy: -9.477
flat angles C4'-P-C4' energy: -18.160
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: 2.949
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: 6
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -258.482059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.482059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.482059 (E_RNA)
where:
Base-Base interactions energy: -173.621
where: short stacking energy: -81.572
Base-Backbone interact. energy: -0.042
local terms energy: -84.819399
where:
bonds (distance) C4'-P energy: -17.921
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -18.149
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: -23.133
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: 2, replica: 9
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -248.926460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.926460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.926460 (E_RNA)
where:
Base-Base interactions energy: -171.308
where: short stacking energy: -85.060
Base-Backbone interact. energy: -0.018
local terms energy: -77.601272
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -13.509
flat angles C4'-P-C4' energy: -16.655
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: -22.955
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: 7
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -245.221832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.221832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.221832 (E_RNA)
where:
Base-Base interactions energy: -158.998
where: short stacking energy: -73.295
Base-Backbone interact. energy: -0.163
local terms energy: -86.061192
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -16.180
flat angles P-C4'-P energy: -12.614
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: 4, replica: 4
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -191.719763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.719763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.719763 (E_RNA)
where:
Base-Base interactions energy: -117.909
where: short stacking energy: -57.237
Base-Backbone interact. energy: -0.013
local terms energy: -73.797658
where:
bonds (distance) C4'-P energy: -18.011
bonds (distance) P-C4' energy: -10.697
flat angles C4'-P-C4' energy: -18.168
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -17.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -183.807639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.807639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.807639 (E_RNA)
where:
Base-Base interactions energy: -109.251
where: short stacking energy: -44.080
Base-Backbone interact. energy: -0.133
local terms energy: -74.423184
where:
bonds (distance) C4'-P energy: -18.412
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -14.450
tors. eta vs tors. theta energy: -10.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -157.765316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.765316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.765316 (E_RNA)
where:
Base-Base interactions energy: -97.560
where: short stacking energy: -35.157
Base-Backbone interact. energy: -0.204
local terms energy: -60.001544
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -9.553
flat angles P-C4'-P energy: -11.875
tors. eta vs tors. theta energy: -4.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -107.161231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.161231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.161231 (E_RNA)
where:
Base-Base interactions energy: -43.952
where: short stacking energy: -35.365
Base-Backbone interact. energy: -0.198
local terms energy: -63.011373
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -5.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -102.924828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.924828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.924828 (E_RNA)
where:
Base-Base interactions energy: -41.547
where: short stacking energy: -41.547
Base-Backbone interact. energy: -0.066
local terms energy: -61.311871
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -6.590
tors. eta vs tors. theta energy: -8.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -94.094918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.094918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.094918 (E_RNA)
where:
Base-Base interactions energy: -42.750
where: short stacking energy: -30.032
Base-Backbone interact. energy: -0.479
local terms energy: -50.865650
where:
bonds (distance) C4'-P energy: -19.063
bonds (distance) P-C4' energy: -6.198
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -0.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -72.082688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.082688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.082688 (E_RNA)
where:
Base-Base interactions energy: -31.288
where: short stacking energy: -27.986
Base-Backbone interact. energy: -0.219
local terms energy: -40.575197
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -14.605
flat angles C4'-P-C4' energy: -4.445
flat angles P-C4'-P energy: -3.624
tors. eta vs tors. theta energy: -4.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -243.457405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.457405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.457405 (E_RNA)
where:
Base-Base interactions energy: -159.674
where: short stacking energy: -76.599
Base-Backbone interact. energy: -0.292
local terms energy: -83.491433
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -12.090
flat angles C4'-P-C4' energy: -19.105
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -25.386
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: 2, replica: 9
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -255.270312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.270312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.270312 (E_RNA)
where:
Base-Base interactions energy: -167.326
where: short stacking energy: -71.031
Base-Backbone interact. energy: -0.018
local terms energy: -87.926744
where:
bonds (distance) C4'-P energy: -17.701
bonds (distance) P-C4' energy: -16.270
flat angles C4'-P-C4' energy: -19.387
flat angles P-C4'-P energy: -13.886
tors. eta vs tors. theta energy: -20.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -239.659110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.659110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.659110 (E_RNA)
where:
Base-Base interactions energy: -149.663
where: short stacking energy: -69.112
Base-Backbone interact. energy: -0.093
local terms energy: -89.902978
where:
bonds (distance) C4'-P energy: -17.211
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -16.109
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: 4, replica: 5
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -206.523319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.523319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.523319 (E_RNA)
where:
Base-Base interactions energy: -128.376
where: short stacking energy: -60.219
Base-Backbone interact. energy: 0.169
local terms energy: -78.317155
where:
bonds (distance) C4'-P energy: -16.724
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -16.567
flat angles P-C4'-P energy: -13.274
tors. eta vs tors. theta energy: -15.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -196.618809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.618809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.618809 (E_RNA)
where:
Base-Base interactions energy: -127.873
where: short stacking energy: -58.998
Base-Backbone interact. energy: -0.237
local terms energy: -68.509439
where:
bonds (distance) C4'-P energy: -9.056
bonds (distance) P-C4' energy: -15.590
flat angles C4'-P-C4' energy: -12.617
flat angles P-C4'-P energy: -13.820
tors. eta vs tors. theta energy: -17.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -171.022266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.022266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.022266 (E_RNA)
where:
Base-Base interactions energy: -107.799
where: short stacking energy: -50.423
Base-Backbone interact. energy: -0.118
local terms energy: -63.105313
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -13.646
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -8.645
tors. eta vs tors. theta energy: -12.698
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: 8
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -96.272467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.272467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.272467 (E_RNA)
where:
Base-Base interactions energy: -45.069
where: short stacking energy: -33.551
Base-Backbone interact. energy: -0.307
local terms energy: -50.896251
where:
bonds (distance) C4'-P energy: -19.406
bonds (distance) P-C4' energy: -13.193
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -3.750
tors. eta vs tors. theta energy: -2.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -108.000453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.000453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.000453 (E_RNA)
where:
Base-Base interactions energy: -44.623
where: short stacking energy: -43.984
Base-Backbone interact. energy: -0.891
local terms energy: -62.486158
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -5.993
tors. eta vs tors. theta energy: -9.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -92.421684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.421684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.421684 (E_RNA)
where:
Base-Base interactions energy: -41.580
where: short stacking energy: -29.848
Base-Backbone interact. energy: 0.347
local terms energy: -51.189135
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -12.494
flat angles P-C4'-P energy: -5.359
tors. eta vs tors. theta energy: 0.305
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: 10
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -81.316270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.316270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.316270 (E_RNA)
where:
Base-Base interactions energy: -35.248
where: short stacking energy: -25.863
Base-Backbone interact. energy: -1.601
local terms energy: -44.467166
where:
bonds (distance) C4'-P energy: -11.639
bonds (distance) P-C4' energy: -14.941
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -1.086
tors. eta vs tors. theta energy: -0.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -262.483761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.483761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.483761 (E_RNA)
where:
Base-Base interactions energy: -171.515
where: short stacking energy: -86.327
Base-Backbone interact. energy: -1.551
local terms energy: -89.417513
where:
bonds (distance) C4'-P energy: -20.871
bonds (distance) P-C4' energy: -14.954
flat angles C4'-P-C4' energy: -19.085
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -24.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -252.761190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.761190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.761190 (E_RNA)
where:
Base-Base interactions energy: -160.536
where: short stacking energy: -66.794
Base-Backbone interact. energy: -0.793
local terms energy: -91.431840
where:
bonds (distance) C4'-P energy: -19.163
bonds (distance) P-C4' energy: -16.230
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -13.192
tors. eta vs tors. theta energy: -26.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -233.866234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.866234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.866234 (E_RNA)
where:
Base-Base interactions energy: -146.055
where: short stacking energy: -65.034
Base-Backbone interact. energy: -0.144
local terms energy: -87.667063
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -16.525
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: 4, replica: 5
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -199.630462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.630462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.630462 (E_RNA)
where:
Base-Base interactions energy: -117.140
where: short stacking energy: -62.705
Base-Backbone interact. energy: -0.065
local terms energy: -82.424942
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -19.715
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -20.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -188.151475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.151475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.151475 (E_RNA)
where:
Base-Base interactions energy: -109.173
where: short stacking energy: -51.659
Base-Backbone interact. energy: -0.120
local terms energy: -78.858773
where:
bonds (distance) C4'-P energy: -19.646
bonds (distance) P-C4' energy: -18.520
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -14.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -186.069787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.069787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.069787 (E_RNA)
where:
Base-Base interactions energy: -115.493
where: short stacking energy: -46.316
Base-Backbone interact. energy: -0.283
local terms energy: -70.293835
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -18.270
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -8.128
tors. eta vs tors. theta energy: -12.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -90.074926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.074926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.074926 (E_RNA)
where:
Base-Base interactions energy: -29.343
where: short stacking energy: -29.343
Base-Backbone interact. energy: -0.380
local terms energy: -60.351508
where:
bonds (distance) C4'-P energy: -18.604
bonds (distance) P-C4' energy: -14.753
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -5.330
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: 8, replica: 8
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -103.070332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.070332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.070332 (E_RNA)
where:
Base-Base interactions energy: -35.777
where: short stacking energy: -35.777
Base-Backbone interact. energy: -0.288
local terms energy: -67.005672
where:
bonds (distance) C4'-P energy: -16.575
bonds (distance) P-C4' energy: -20.430
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -4.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -81.632635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.632635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.632635 (E_RNA)
where:
Base-Base interactions energy: -37.241
where: short stacking energy: -37.241
Base-Backbone interact. energy: -0.015
local terms energy: -44.376536
where:
bonds (distance) C4'-P energy: -8.403
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -5.299
tors. eta vs tors. theta energy: -0.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -84.003702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.003702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.003702 (E_RNA)
where:
Base-Base interactions energy: -41.907
where: short stacking energy: -27.044
Base-Backbone interact. energy: -0.070
local terms energy: -42.026905
where:
bonds (distance) C4'-P energy: -16.236
bonds (distance) P-C4' energy: -10.612
flat angles C4'-P-C4' energy: -10.743
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: 3.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -268.137052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.137052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.137052 (E_RNA)
where:
Base-Base interactions energy: -180.278
where: short stacking energy: -78.937
Base-Backbone interact. energy: -0.077
local terms energy: -87.782963
where:
bonds (distance) C4'-P energy: -17.383
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -17.818
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: -24.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -254.547470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.547470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.547470 (E_RNA)
where:
Base-Base interactions energy: -178.481
where: short stacking energy: -67.630
Base-Backbone interact. energy: -0.666
local terms energy: -75.400506
where:
bonds (distance) C4'-P energy: -10.110
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -11.933
tors. eta vs tors. theta energy: -18.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -243.475237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.475237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.475237 (E_RNA)
where:
Base-Base interactions energy: -157.746
where: short stacking energy: -72.268
Base-Backbone interact. energy: -1.125
local terms energy: -84.604489
where:
bonds (distance) C4'-P energy: -14.903
bonds (distance) P-C4' energy: -17.035
flat angles C4'-P-C4' energy: -18.329
flat angles P-C4'-P energy: -15.956
tors. eta vs tors. theta energy: -18.381
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: 4, replica: 5
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -201.657224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.657224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.657224 (E_RNA)
where:
Base-Base interactions energy: -128.856
where: short stacking energy: -65.053
Base-Backbone interact. energy: -0.024
local terms energy: -72.776890
where:
bonds (distance) C4'-P energy: -10.823
bonds (distance) P-C4' energy: -15.779
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: -17.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -182.279372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.279372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.279372 (E_RNA)
where:
Base-Base interactions energy: -110.168
where: short stacking energy: -53.349
Base-Backbone interact. energy: -0.674
local terms energy: -71.437115
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -17.920
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -6.589
tors. eta vs tors. theta energy: -17.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -114.556934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.556934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.556934 (E_RNA)
where:
Base-Base interactions energy: -51.864
where: short stacking energy: -31.235
Base-Backbone interact. energy: -0.519
local terms energy: -62.173037
where:
bonds (distance) C4'-P energy: -11.605
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -13.140
tors. eta vs tors. theta energy: -4.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -189.621076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.621076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.621076 (E_RNA)
where:
Base-Base interactions energy: -115.646
where: short stacking energy: -45.640
Base-Backbone interact. energy: -0.495
local terms energy: -73.479872
where:
bonds (distance) C4'-P energy: -15.946
bonds (distance) P-C4' energy: -18.741
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: -10.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -89.553038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.553038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.553038 (E_RNA)
where:
Base-Base interactions energy: -31.237
where: short stacking energy: -30.413
Base-Backbone interact. energy: -0.032
local terms energy: -58.283816
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -11.866
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -8.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -80.727020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.727020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.727020 (E_RNA)
where:
Base-Base interactions energy: -29.894
where: short stacking energy: -28.285
Base-Backbone interact. energy: -1.263
local terms energy: -49.570495
where:
bonds (distance) C4'-P energy: -15.595
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -7.942
flat angles P-C4'-P energy: -11.851
tors. eta vs tors. theta energy: 2.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -77.396828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.396828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.396828 (E_RNA)
where:
Base-Base interactions energy: -26.926
where: short stacking energy: -26.800
Base-Backbone interact. energy: -0.906
local terms energy: -49.564759
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -18.678
flat angles C4'-P-C4' energy: -18.050
flat angles P-C4'-P energy: 0.232
tors. eta vs tors. theta energy: 0.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -269.198786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.198786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.198786 (E_RNA)
where:
Base-Base interactions energy: -172.679
where: short stacking energy: -88.353
Base-Backbone interact. energy: -0.008
local terms energy: -96.511320
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -19.936
flat angles C4'-P-C4' energy: -19.693
flat angles P-C4'-P energy: -12.933
tors. eta vs tors. theta energy: -26.844
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: 7
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -259.063479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.063479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.063479 (E_RNA)
where:
Base-Base interactions energy: -169.645
where: short stacking energy: -73.627
Base-Backbone interact. energy: -0.104
local terms energy: -89.313772
where:
bonds (distance) C4'-P energy: -19.266
bonds (distance) P-C4' energy: -18.620
flat angles C4'-P-C4' energy: -20.391
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -19.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -248.095623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.095623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.095623 (E_RNA)
where:
Base-Base interactions energy: -167.959
where: short stacking energy: -74.202
Base-Backbone interact. energy: -0.718
local terms energy: -79.418642
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -17.884
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -8.063
tors. eta vs tors. theta energy: -22.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -190.279620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.279620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.279620 (E_RNA)
where:
Base-Base interactions energy: -116.890
where: short stacking energy: -52.546
Base-Backbone interact. energy: -0.081
local terms energy: -73.309267
where:
bonds (distance) C4'-P energy: -17.339
bonds (distance) P-C4' energy: -18.365
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -13.165
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: 1
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -183.611884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.611884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.611884 (E_RNA)
where:
Base-Base interactions energy: -109.046
where: short stacking energy: -52.451
Base-Backbone interact. energy: -0.084
local terms energy: -74.482084
where:
bonds (distance) C4'-P energy: -16.666
bonds (distance) P-C4' energy: -14.862
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -16.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -115.240428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.240428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.240428 (E_RNA)
where:
Base-Base interactions energy: -59.017
where: short stacking energy: -24.910
Base-Backbone interact. energy: -0.973
local terms energy: -55.250695
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -18.364
flat angles C4'-P-C4' energy: -9.353
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -1.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -187.338527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.338527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.338527 (E_RNA)
where:
Base-Base interactions energy: -115.749
where: short stacking energy: -36.567
Base-Backbone interact. energy: -0.250
local terms energy: -71.339566
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -17.724
flat angles P-C4'-P energy: -11.628
tors. eta vs tors. theta energy: -14.509
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: 8
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -88.385454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.385454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.385454 (E_RNA)
where:
Base-Base interactions energy: -33.495
where: short stacking energy: -30.406
Base-Backbone interact. energy: 0.126
local terms energy: -55.017289
where:
bonds (distance) C4'-P energy: -17.448
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -9.663
flat angles P-C4'-P energy: -7.914
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: 9, replica: 2
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -84.396399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.396399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.396399 (E_RNA)
where:
Base-Base interactions energy: -32.743
where: short stacking energy: -23.872
Base-Backbone interact. energy: -0.323
local terms energy: -51.331108
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -11.227
flat angles C4'-P-C4' energy: -12.964
flat angles P-C4'-P energy: -12.008
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: 10
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -85.953607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.953607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.953607 (E_RNA)
where:
Base-Base interactions energy: -32.459
where: short stacking energy: -32.459
Base-Backbone interact. energy: 0.018
local terms energy: -53.512298
where:
bonds (distance) C4'-P energy: -11.777
bonds (distance) P-C4' energy: -16.669
flat angles C4'-P-C4' energy: -12.263
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -2.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -254.536387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.536387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.536387 (E_RNA)
where:
Base-Base interactions energy: -178.505
where: short stacking energy: -77.710
Base-Backbone interact. energy: -0.100
local terms energy: -75.931671
where:
bonds (distance) C4'-P energy: -15.375
bonds (distance) P-C4' energy: -11.687
flat angles C4'-P-C4' energy: -18.316
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -19.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -252.769834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.769834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.769834 (E_RNA)
where:
Base-Base interactions energy: -165.524
where: short stacking energy: -83.505
Base-Backbone interact. energy: -0.259
local terms energy: -86.986567
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -17.567
flat angles P-C4'-P energy: -10.660
tors. eta vs tors. theta energy: -25.168
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: 7
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -256.689970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.689970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.689970 (E_RNA)
where:
Base-Base interactions energy: -162.688
where: short stacking energy: -80.367
Base-Backbone interact. energy: 0.193
local terms energy: -94.195347
where:
bonds (distance) C4'-P energy: -19.034
bonds (distance) P-C4' energy: -20.101
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -13.151
tors. eta vs tors. theta energy: -24.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -178.279989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.279989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.279989 (E_RNA)
where:
Base-Base interactions energy: -104.958
where: short stacking energy: -44.849
Base-Backbone interact. energy: -0.191
local terms energy: -73.130442
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -18.488
flat angles C4'-P-C4' energy: -16.671
flat angles P-C4'-P energy: -9.640
tors. eta vs tors. theta energy: -14.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -193.412570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.412570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.412570 (E_RNA)
where:
Base-Base interactions energy: -117.802
where: short stacking energy: -56.260
Base-Backbone interact. energy: -0.058
local terms energy: -75.552571
where:
bonds (distance) C4'-P energy: -17.656
bonds (distance) P-C4' energy: -16.344
flat angles C4'-P-C4' energy: -11.828
flat angles P-C4'-P energy: -14.873
tors. eta vs tors. theta energy: -14.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -182.989006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.989006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.989006 (E_RNA)
where:
Base-Base interactions energy: -120.784
where: short stacking energy: -52.775
Base-Backbone interact. energy: 0.458
local terms energy: -62.663312
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -8.308
tors. eta vs tors. theta energy: -7.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -112.862430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.862430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.862430 (E_RNA)
where:
Base-Base interactions energy: -48.260
where: short stacking energy: -27.827
Base-Backbone interact. energy: -0.167
local terms energy: -64.435078
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -5.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -88.131955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.131955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.131955 (E_RNA)
where:
Base-Base interactions energy: -26.500
where: short stacking energy: -25.873
Base-Backbone interact. energy: 1.142
local terms energy: -62.773734
where:
bonds (distance) C4'-P energy: -8.974
bonds (distance) P-C4' energy: -18.659
flat angles C4'-P-C4' energy: -16.987
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -7.847
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: 429
Temperature: 1.300000
Total energy: -86.036402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.036402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.036402 (E_RNA)
where:
Base-Base interactions energy: -32.146
where: short stacking energy: -29.012
Base-Backbone interact. energy: 0.969
local terms energy: -54.860077
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -2.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -81.668529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.668529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.668529 (E_RNA)
where:
Base-Base interactions energy: -27.829
where: short stacking energy: -15.031
Base-Backbone interact. energy: 0.155
local terms energy: -53.994061
where:
bonds (distance) C4'-P energy: -14.904
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -9.382
flat angles P-C4'-P energy: -13.624
tors. eta vs tors. theta energy: 1.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -252.978257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.978257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.978257 (E_RNA)
where:
Base-Base interactions energy: -167.811
where: short stacking energy: -77.399
Base-Backbone interact. energy: -0.016
local terms energy: -85.151422
where:
bonds (distance) C4'-P energy: -12.067
bonds (distance) P-C4' energy: -17.887
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -14.440
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: 2, replica: 9
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -250.785611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.785611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.785611 (E_RNA)
where:
Base-Base interactions energy: -164.677
where: short stacking energy: -77.459
Base-Backbone interact. energy: -0.067
local terms energy: -86.041733
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -18.793
flat angles P-C4'-P energy: -13.429
tors. eta vs tors. theta energy: -22.283
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: 7
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -249.110263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.110263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.110263 (E_RNA)
where:
Base-Base interactions energy: -157.585
where: short stacking energy: -79.292
Base-Backbone interact. energy: -0.098
local terms energy: -91.427068
where:
bonds (distance) C4'-P energy: -18.453
bonds (distance) P-C4' energy: -17.562
flat angles C4'-P-C4' energy: -17.782
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -25.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -193.946049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.946049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.946049 (E_RNA)
where:
Base-Base interactions energy: -118.878
where: short stacking energy: -61.530
Base-Backbone interact. energy: -0.622
local terms energy: -74.446394
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -19.855
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -19.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -181.748112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.748112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.748112 (E_RNA)
where:
Base-Base interactions energy: -115.924
where: short stacking energy: -41.684
Base-Backbone interact. energy: -0.214
local terms energy: -65.609859
where:
bonds (distance) C4'-P energy: -12.220
bonds (distance) P-C4' energy: -17.040
flat angles C4'-P-C4' energy: -19.145
flat angles P-C4'-P energy: -9.331
tors. eta vs tors. theta energy: -7.874
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: 5
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -183.823575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.823575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.823575 (E_RNA)
where:
Base-Base interactions energy: -110.796
where: short stacking energy: -55.241
Base-Backbone interact. energy: -0.103
local terms energy: -72.924507
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -20.324
flat angles C4'-P-C4' energy: -15.131
flat angles P-C4'-P energy: -2.541
tors. eta vs tors. theta energy: -20.953
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: 2
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -96.671772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.671772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.671772 (E_RNA)
where:
Base-Base interactions energy: -28.853
where: short stacking energy: -27.782
Base-Backbone interact. energy: -0.145
local terms energy: -67.673329
where:
bonds (distance) C4'-P energy: -19.667
bonds (distance) P-C4' energy: -19.289
flat angles C4'-P-C4' energy: -17.473
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -1.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -93.972875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.972875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.972875 (E_RNA)
where:
Base-Base interactions energy: -30.629
where: short stacking energy: -30.629
Base-Backbone interact. energy: -0.086
local terms energy: -63.257794
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -16.799
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -7.613
tors. eta vs tors. theta energy: -8.013
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: 10
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -88.329519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.329519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.329519 (E_RNA)
where:
Base-Base interactions energy: -27.137
where: short stacking energy: -27.637
Base-Backbone interact. energy: -0.740
local terms energy: -60.452691
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -18.966
flat angles C4'-P-C4' energy: -11.864
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: -7.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -90.620184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.620184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.620184 (E_RNA)
where:
Base-Base interactions energy: -25.926
where: short stacking energy: -23.091
Base-Backbone interact. energy: -0.870
local terms energy: -63.823695
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -16.261
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -10.244
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: 1, replica: 6
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -253.621995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.621995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.621995 (E_RNA)
where:
Base-Base interactions energy: -163.963
where: short stacking energy: -70.272
Base-Backbone interact. energy: -0.005
local terms energy: -89.654050
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -19.849
flat angles C4'-P-C4' energy: -18.766
flat angles P-C4'-P energy: -13.932
tors. eta vs tors. theta energy: -20.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -250.501106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.501106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.501106 (E_RNA)
where:
Base-Base interactions energy: -164.839
where: short stacking energy: -75.900
Base-Backbone interact. energy: -0.100
local terms energy: -85.562155
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -19.341
flat angles C4'-P-C4' energy: -18.211
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -22.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -238.219692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.219692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.219692 (E_RNA)
where:
Base-Base interactions energy: -153.786
where: short stacking energy: -71.285
Base-Backbone interact. energy: -0.760
local terms energy: -83.673438
where:
bonds (distance) C4'-P energy: -17.056
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -19.340
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -23.083
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: 431
Temperature: 1.050000
Total energy: -184.708126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.708126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.708126 (E_RNA)
where:
Base-Base interactions energy: -115.021
where: short stacking energy: -52.520
Base-Backbone interact. energy: -0.494
local terms energy: -69.192862
where:
bonds (distance) C4'-P energy: -18.036
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -10.717
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -13.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -161.063671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.063671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.063671 (E_RNA)
where:
Base-Base interactions energy: -90.079
where: short stacking energy: -40.105
Base-Backbone interact. energy: -0.095
local terms energy: -70.890277
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -18.353
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: -11.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -181.851953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.851953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.851953 (E_RNA)
where:
Base-Base interactions energy: -112.225
where: short stacking energy: -60.752
Base-Backbone interact. energy: 0.532
local terms energy: -70.159220
where:
bonds (distance) C4'-P energy: -15.050
bonds (distance) P-C4' energy: -15.911
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -13.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -115.364746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.364746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.364746 (E_RNA)
where:
Base-Base interactions energy: -55.015
where: short stacking energy: -32.413
Base-Backbone interact. energy: -1.771
local terms energy: -58.578577
where:
bonds (distance) C4'-P energy: -18.873
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -17.231
flat angles P-C4'-P energy: -1.718
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: 8, replica: 10
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -109.907456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.907456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.907456 (E_RNA)
where:
Base-Base interactions energy: -54.594
where: short stacking energy: -25.139
Base-Backbone interact. energy: -0.964
local terms energy: -54.348668
where:
bonds (distance) C4'-P energy: -15.629
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -7.552
tors. eta vs tors. theta energy: -1.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -83.130403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.130403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.130403 (E_RNA)
where:
Base-Base interactions energy: -25.951
where: short stacking energy: -25.927
Base-Backbone interact. energy: -0.137
local terms energy: -57.042134
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -12.105
flat angles P-C4'-P energy: -4.856
tors. eta vs tors. theta energy: -9.497
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: 8
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -100.336217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.336217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.336217 (E_RNA)
where:
Base-Base interactions energy: -37.881
where: short stacking energy: -28.609
Base-Backbone interact. energy: -0.964
local terms energy: -61.491494
where:
bonds (distance) C4'-P energy: -17.766
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: -3.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -258.153130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.153130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.153130 (E_RNA)
where:
Base-Base interactions energy: -165.682
where: short stacking energy: -82.057
Base-Backbone interact. energy: 0.430
local terms energy: -92.901154
where:
bonds (distance) C4'-P energy: -18.111
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -17.297
flat angles P-C4'-P energy: -11.976
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: 2, replica: 9
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -250.500189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.500189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.500189 (E_RNA)
where:
Base-Base interactions energy: -166.394
where: short stacking energy: -80.192
Base-Backbone interact. energy: -0.018
local terms energy: -84.088638
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -18.923
flat angles P-C4'-P energy: -12.686
tors. eta vs tors. theta energy: -23.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -245.612176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.612176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.612176 (E_RNA)
where:
Base-Base interactions energy: -166.750
where: short stacking energy: -74.765
Base-Backbone interact. energy: 0.153
local terms energy: -79.014968
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -14.499
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -14.707
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: 4, replica: 1
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -190.119505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.119505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.119505 (E_RNA)
where:
Base-Base interactions energy: -111.163
where: short stacking energy: -51.894
Base-Backbone interact. energy: -0.356
local terms energy: -78.600402
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -10.621
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: 5, replica: 5
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -173.077990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.077990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.077990 (E_RNA)
where:
Base-Base interactions energy: -102.643
where: short stacking energy: -57.029
Base-Backbone interact. energy: -0.129
local terms energy: -70.305993
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -18.510
flat angles C4'-P-C4' energy: -16.833
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -9.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -150.447166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.447166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.447166 (E_RNA)
where:
Base-Base interactions energy: -101.562
where: short stacking energy: -40.849
Base-Backbone interact. energy: 2.317
local terms energy: -51.201801
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -7.530
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -3.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -123.003162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.003162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.003162 (E_RNA)
where:
Base-Base interactions energy: -66.926
where: short stacking energy: -37.142
Base-Backbone interact. energy: -0.521
local terms energy: -55.556267
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -13.206
flat angles C4'-P-C4' energy: -15.310
flat angles P-C4'-P energy: -4.972
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: 8, replica: 10
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -81.610200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.610200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.610200 (E_RNA)
where:
Base-Base interactions energy: -28.406
where: short stacking energy: -28.406
Base-Backbone interact. energy: -0.242
local terms energy: -52.962073
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -9.944
flat angles C4'-P-C4' energy: -20.346
flat angles P-C4'-P energy: -6.336
tors. eta vs tors. theta energy: -1.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -92.816257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.816257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.816257 (E_RNA)
where:
Base-Base interactions energy: -37.765
where: short stacking energy: -37.765
Base-Backbone interact. energy: -0.088
local terms energy: -54.962758
where:
bonds (distance) C4'-P energy: -12.299
bonds (distance) P-C4' energy: -17.190
flat angles C4'-P-C4' energy: -13.977
flat angles P-C4'-P energy: -3.806
tors. eta vs tors. theta energy: -7.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -77.206824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.206824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.206824 (E_RNA)
where:
Base-Base interactions energy: -26.358
where: short stacking energy: -23.798
Base-Backbone interact. energy: -0.419
local terms energy: -50.430078
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -19.292
flat angles C4'-P-C4' energy: -9.414
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: 3.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -258.273841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.273841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.273841 (E_RNA)
where:
Base-Base interactions energy: -172.767
where: short stacking energy: -79.161
Base-Backbone interact. energy: -0.668
local terms energy: -84.838743
where:
bonds (distance) C4'-P energy: -16.362
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -13.037
tors. eta vs tors. theta energy: -24.561
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: 433
Temperature: 0.950000
Total energy: -250.454782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.454782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.454782 (E_RNA)
where:
Base-Base interactions energy: -166.685
where: short stacking energy: -74.386
Base-Backbone interact. energy: -0.421
local terms energy: -83.349377
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -17.780
flat angles C4'-P-C4' energy: -17.922
flat angles P-C4'-P energy: -13.238
tors. eta vs tors. theta energy: -20.357
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: 7
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -242.316790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.316790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.316790 (E_RNA)
where:
Base-Base interactions energy: -154.739
where: short stacking energy: -78.740
Base-Backbone interact. energy: -0.032
local terms energy: -87.545437
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -19.785
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -11.973
tors. eta vs tors. theta energy: -23.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -188.198597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.198597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.198597 (E_RNA)
where:
Base-Base interactions energy: -120.555
where: short stacking energy: -49.359
Base-Backbone interact. energy: -0.845
local terms energy: -66.799430
where:
bonds (distance) C4'-P energy: -13.562
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -13.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -203.211142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.211142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.211142 (E_RNA)
where:
Base-Base interactions energy: -118.354
where: short stacking energy: -61.869
Base-Backbone interact. energy: -0.106
local terms energy: -84.751682
where:
bonds (distance) C4'-P energy: -19.799
bonds (distance) P-C4' energy: -15.587
flat angles C4'-P-C4' energy: -17.615
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -20.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -155.396507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.396507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.396507 (E_RNA)
where:
Base-Base interactions energy: -94.840
where: short stacking energy: -26.751
Base-Backbone interact. energy: 0.610
local terms energy: -61.166560
where:
bonds (distance) C4'-P energy: -18.326
bonds (distance) P-C4' energy: -17.858
flat angles C4'-P-C4' energy: -12.364
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -3.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -101.681033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.681033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.681033 (E_RNA)
where:
Base-Base interactions energy: -46.576
where: short stacking energy: -24.022
Base-Backbone interact. energy: 1.404
local terms energy: -56.509871
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -20.560
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -6.425
tors. eta vs tors. theta energy: -1.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -87.123903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.123903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.123903 (E_RNA)
where:
Base-Base interactions energy: -41.243
where: short stacking energy: -30.306
Base-Backbone interact. energy: -1.224
local terms energy: -44.656798
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -8.680
flat angles C4'-P-C4' energy: -6.673
flat angles P-C4'-P energy: -8.776
tors. eta vs tors. theta energy: -7.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -89.814560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.814560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.814560 (E_RNA)
where:
Base-Base interactions energy: -30.031
where: short stacking energy: -26.685
Base-Backbone interact. energy: -0.061
local terms energy: -59.722482
where:
bonds (distance) C4'-P energy: -17.253
bonds (distance) P-C4' energy: -16.025
flat angles C4'-P-C4' energy: -12.751
flat angles P-C4'-P energy: -10.266
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: 10, replica: 3
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -85.632936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.632936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.632936 (E_RNA)
where:
Base-Base interactions energy: -24.880
where: short stacking energy: -18.287
Base-Backbone interact. energy: -0.068
local terms energy: -60.684996
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -18.586
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -3.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -262.498936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.498936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.498936 (E_RNA)
where:
Base-Base interactions energy: -169.696
where: short stacking energy: -79.759
Base-Backbone interact. energy: -0.002
local terms energy: -92.801517
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -18.177
flat angles P-C4'-P energy: -15.749
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: 2, replica: 9
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -262.733885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.733885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.733885 (E_RNA)
where:
Base-Base interactions energy: -176.307
where: short stacking energy: -74.478
Base-Backbone interact. energy: -0.007
local terms energy: -86.419873
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -15.735
flat angles C4'-P-C4' energy: -19.215
flat angles P-C4'-P energy: -14.195
tors. eta vs tors. theta energy: -19.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -223.306343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.306343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.306343 (E_RNA)
where:
Base-Base interactions energy: -149.471
where: short stacking energy: -63.339
Base-Backbone interact. energy: -0.176
local terms energy: -73.659666
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -17.331
flat angles C4'-P-C4' energy: -13.150
flat angles P-C4'-P energy: -12.484
tors. eta vs tors. theta energy: -16.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -225.537249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.537249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.537249 (E_RNA)
where:
Base-Base interactions energy: -149.106
where: short stacking energy: -64.508
Base-Backbone interact. energy: -0.060
local terms energy: -76.370494
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -21.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -154.468679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.468679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.468679 (E_RNA)
where:
Base-Base interactions energy: -93.914
where: short stacking energy: -50.737
Base-Backbone interact. energy: -0.122
local terms energy: -60.432745
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -13.546
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -13.449
tors. eta vs tors. theta energy: -8.962
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: 6, replica: 1
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -187.682833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.682833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.682833 (E_RNA)
where:
Base-Base interactions energy: -114.106
where: short stacking energy: -61.031
Base-Backbone interact. energy: -0.418
local terms energy: -73.158436
where:
bonds (distance) C4'-P energy: -16.922
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -6.522
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: 434
Temperature: 1.200000
Total energy: -99.018795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.018795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.018795 (E_RNA)
where:
Base-Base interactions energy: -39.161
where: short stacking energy: -39.161
Base-Backbone interact. energy: 0.533
local terms energy: -60.390274
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -5.721
tors. eta vs tors. theta energy: -7.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -95.622517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.622517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.622517 (E_RNA)
where:
Base-Base interactions energy: -47.751
where: short stacking energy: -25.186
Base-Backbone interact. energy: -0.229
local terms energy: -47.641582
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -10.080
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: 1.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -83.535940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.535940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.535940 (E_RNA)
where:
Base-Base interactions energy: -32.303
where: short stacking energy: -21.558
Base-Backbone interact. energy: -0.022
local terms energy: -51.211322
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -4.707
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -5.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -75.360820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.360820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.360820 (E_RNA)
where:
Base-Base interactions energy: -19.701
where: short stacking energy: -19.701
Base-Backbone interact. energy: -0.266
local terms energy: -55.394083
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -16.779
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -11.564
tors. eta vs tors. theta energy: -1.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -269.439353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.439353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.439353 (E_RNA)
where:
Base-Base interactions energy: -173.977
where: short stacking energy: -79.853
Base-Backbone interact. energy: -0.003
local terms energy: -95.459522
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -20.143
flat angles P-C4'-P energy: -15.569
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: 2, replica: 9
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -253.978994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.978994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.978994 (E_RNA)
where:
Base-Base interactions energy: -164.339
where: short stacking energy: -82.227
Base-Backbone interact. energy: -0.065
local terms energy: -89.575056
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -17.509
flat angles P-C4'-P energy: -13.958
tors. eta vs tors. theta energy: -23.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -206.243395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.243395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.243395 (E_RNA)
where:
Base-Base interactions energy: -125.835
where: short stacking energy: -64.918
Base-Backbone interact. energy: -1.055
local terms energy: -79.353180
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -18.541
flat angles C4'-P-C4' energy: -19.731
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -18.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -220.437082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.437082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.437082 (E_RNA)
where:
Base-Base interactions energy: -145.682
where: short stacking energy: -66.526
Base-Backbone interact. energy: -0.123
local terms energy: -74.631649
where:
bonds (distance) C4'-P energy: -16.699
bonds (distance) P-C4' energy: -11.720
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -14.113
tors. eta vs tors. theta energy: -15.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -183.556741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.556741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.556741 (E_RNA)
where:
Base-Base interactions energy: -113.389
where: short stacking energy: -47.864
Base-Backbone interact. energy: -0.012
local terms energy: -70.155924
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -18.318
flat angles P-C4'-P energy: -8.593
tors. eta vs tors. theta energy: -14.663
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: 1
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -174.266529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.266529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.266529 (E_RNA)
where:
Base-Base interactions energy: -99.487
where: short stacking energy: -44.384
Base-Backbone interact. energy: -0.239
local terms energy: -74.539661
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -18.719
flat angles P-C4'-P energy: -12.287
tors. eta vs tors. theta energy: -10.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -104.364130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.364130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.364130 (E_RNA)
where:
Base-Base interactions energy: -39.911
where: short stacking energy: -39.911
Base-Backbone interact. energy: -0.006
local terms energy: -64.446858
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -18.121
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -9.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -92.543066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.543066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.543066 (E_RNA)
where:
Base-Base interactions energy: -34.699
where: short stacking energy: -28.055
Base-Backbone interact. energy: -0.149
local terms energy: -57.694918
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -10.761
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: 9, replica: 3
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -83.929965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.929965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.929965 (E_RNA)
where:
Base-Base interactions energy: -31.301
where: short stacking energy: -29.187
Base-Backbone interact. energy: -0.261
local terms energy: -52.367164
where:
bonds (distance) C4'-P energy: -15.923
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -11.804
flat angles P-C4'-P energy: -7.424
tors. eta vs tors. theta energy: -3.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -76.860570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.860570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.860570 (E_RNA)
where:
Base-Base interactions energy: -23.106
where: short stacking energy: -14.512
Base-Backbone interact. energy: -0.472
local terms energy: -53.282386
where:
bonds (distance) C4'-P energy: -19.387
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -5.193
tors. eta vs tors. theta energy: -0.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -261.069334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.069334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.069334 (E_RNA)
where:
Base-Base interactions energy: -170.105
where: short stacking energy: -80.012
Base-Backbone interact. energy: -0.029
local terms energy: -90.934611
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -18.869
flat angles C4'-P-C4' energy: -18.866
flat angles P-C4'-P energy: -13.938
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: 2, replica: 9
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -257.756171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.756171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.756171 (E_RNA)
where:
Base-Base interactions energy: -170.412
where: short stacking energy: -79.335
Base-Backbone interact. energy: -0.021
local terms energy: -87.323683
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -12.475
tors. eta vs tors. theta energy: -24.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -241.389812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.389812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.389812 (E_RNA)
where:
Base-Base interactions energy: -152.471
where: short stacking energy: -71.523
Base-Backbone interact. energy: -0.000
local terms energy: -88.918220
where:
bonds (distance) C4'-P energy: -18.153
bonds (distance) P-C4' energy: -17.871
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -15.621
tors. eta vs tors. theta energy: -21.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -202.684553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.684553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.684553 (E_RNA)
where:
Base-Base interactions energy: -122.255
where: short stacking energy: -60.787
Base-Backbone interact. energy: -0.010
local terms energy: -80.419662
where:
bonds (distance) C4'-P energy: -17.809
bonds (distance) P-C4' energy: -20.744
flat angles C4'-P-C4' energy: -15.660
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -16.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -171.916541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.916541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.916541 (E_RNA)
where:
Base-Base interactions energy: -105.171
where: short stacking energy: -55.956
Base-Backbone interact. energy: -0.833
local terms energy: -65.912159
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -16.510
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: -11.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -166.966365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.966365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.966365 (E_RNA)
where:
Base-Base interactions energy: -98.764
where: short stacking energy: -45.053
Base-Backbone interact. energy: 0.341
local terms energy: -68.543035
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -13.133
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -13.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -98.977642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.977642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.977642 (E_RNA)
where:
Base-Base interactions energy: -34.489
where: short stacking energy: -31.839
Base-Backbone interact. energy: -0.032
local terms energy: -64.457381
where:
bonds (distance) C4'-P energy: -17.780
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -5.969
tors. eta vs tors. theta energy: -9.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -95.976993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.976993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.976993 (E_RNA)
where:
Base-Base interactions energy: -35.400
where: short stacking energy: -35.400
Base-Backbone interact. energy: -0.167
local terms energy: -60.409389
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -11.868
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: -6.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -93.261251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.261251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.261251 (E_RNA)
where:
Base-Base interactions energy: -34.399
where: short stacking energy: -34.399
Base-Backbone interact. energy: -0.038
local terms energy: -58.824774
where:
bonds (distance) C4'-P energy: -17.184
bonds (distance) P-C4' energy: -19.259
flat angles C4'-P-C4' energy: -14.465
flat angles P-C4'-P energy: -2.593
tors. eta vs tors. theta energy: -5.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -93.723839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.723839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.723839 (E_RNA)
where:
Base-Base interactions energy: -36.356
where: short stacking energy: -30.602
Base-Backbone interact. energy: -0.498
local terms energy: -56.869656
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -17.459
flat angles C4'-P-C4' energy: -12.191
flat angles P-C4'-P energy: -7.806
tors. eta vs tors. theta energy: -3.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -245.015414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.015414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.015414 (E_RNA)
where:
Base-Base interactions energy: -161.274
where: short stacking energy: -75.791
Base-Backbone interact. energy: -0.069
local terms energy: -83.672558
where:
bonds (distance) C4'-P energy: -12.634
bonds (distance) P-C4' energy: -20.052
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -13.758
tors. eta vs tors. theta energy: -21.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -252.263236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.263236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.263236 (E_RNA)
where:
Base-Base interactions energy: -162.406
where: short stacking energy: -72.960
Base-Backbone interact. energy: -0.011
local terms energy: -89.846148
where:
bonds (distance) C4'-P energy: -16.277
bonds (distance) P-C4' energy: -18.330
flat angles C4'-P-C4' energy: -17.421
flat angles P-C4'-P energy: -15.010
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: 3, replica: 7
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -250.638695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.638695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.638695 (E_RNA)
where:
Base-Base interactions energy: -159.958
where: short stacking energy: -77.039
Base-Backbone interact. energy: -0.232
local terms energy: -90.448675
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -19.355
flat angles C4'-P-C4' energy: -18.903
flat angles P-C4'-P energy: -13.829
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: 4, replica: 5
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -196.834316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.834316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.834316 (E_RNA)
where:
Base-Base interactions energy: -117.399
where: short stacking energy: -54.717
Base-Backbone interact. energy: -0.101
local terms energy: -79.334503
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -17.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -177.182728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.182728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.182728 (E_RNA)
where:
Base-Base interactions energy: -103.197
where: short stacking energy: -56.612
Base-Backbone interact. energy: -0.231
local terms energy: -73.754418
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -17.561
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -14.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -184.605802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.605802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.605802 (E_RNA)
where:
Base-Base interactions energy: -109.987
where: short stacking energy: -51.453
Base-Backbone interact. energy: -0.530
local terms energy: -74.089363
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -15.973
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -15.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -99.121018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.121018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.121018 (E_RNA)
where:
Base-Base interactions energy: -45.517
where: short stacking energy: -20.141
Base-Backbone interact. energy: 0.241
local terms energy: -53.845303
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -19.343
flat angles C4'-P-C4' energy: -8.200
flat angles P-C4'-P energy: -6.520
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: 8, replica: 10
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -90.575671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.575671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.575671 (E_RNA)
where:
Base-Base interactions energy: -33.197
where: short stacking energy: -30.660
Base-Backbone interact. energy: 0.697
local terms energy: -58.075143
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -17.334
flat angles P-C4'-P energy: -7.105
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: 9, replica: 8
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -75.238836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.238836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.238836 (E_RNA)
where:
Base-Base interactions energy: -18.120
where: short stacking energy: -18.120
Base-Backbone interact. energy: -0.216
local terms energy: -56.902963
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -15.858
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -10.780
tors. eta vs tors. theta energy: 1.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -77.403505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.403505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.403505 (E_RNA)
where:
Base-Base interactions energy: -36.329
where: short stacking energy: -23.797
Base-Backbone interact. energy: 0.107
local terms energy: -41.181852
where:
bonds (distance) C4'-P energy: -16.540
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -8.768
flat angles P-C4'-P energy: -2.161
tors. eta vs tors. theta energy: 4.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -270.699431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.699431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.699431 (E_RNA)
where:
Base-Base interactions energy: -174.443
where: short stacking energy: -86.025
Base-Backbone interact. energy: -0.012
local terms energy: -96.244312
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -20.178
flat angles P-C4'-P energy: -15.364
tors. eta vs tors. theta energy: -26.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -244.974438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.974438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.974438 (E_RNA)
where:
Base-Base interactions energy: -160.190
where: short stacking energy: -80.606
Base-Backbone interact. energy: -0.016
local terms energy: -84.769100
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -15.886
flat angles C4'-P-C4' energy: -19.221
flat angles P-C4'-P energy: -13.979
tors. eta vs tors. theta energy: -23.549
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: 7
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -246.552100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.552100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.552100 (E_RNA)
where:
Base-Base interactions energy: -155.506
where: short stacking energy: -72.137
Base-Backbone interact. energy: -0.012
local terms energy: -91.034168
where:
bonds (distance) C4'-P energy: -18.147
bonds (distance) P-C4' energy: -20.144
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -12.997
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: 4, replica: 5
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -202.799347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.799347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.799347 (E_RNA)
where:
Base-Base interactions energy: -119.586
where: short stacking energy: -57.659
Base-Backbone interact. energy: -0.025
local terms energy: -83.187732
where:
bonds (distance) C4'-P energy: -19.059
bonds (distance) P-C4' energy: -18.583
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -17.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -208.274373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.274373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.274373 (E_RNA)
where:
Base-Base interactions energy: -119.379
where: short stacking energy: -59.570
Base-Backbone interact. energy: -0.037
local terms energy: -88.858776
where:
bonds (distance) C4'-P energy: -17.601
bonds (distance) P-C4' energy: -19.776
flat angles C4'-P-C4' energy: -18.614
flat angles P-C4'-P energy: -14.340
tors. eta vs tors. theta energy: -18.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -158.755100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.755100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.755100 (E_RNA)
where:
Base-Base interactions energy: -87.454
where: short stacking energy: -42.943
Base-Backbone interact. energy: -0.057
local terms energy: -71.244081
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -14.198
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -14.706
tors. eta vs tors. theta energy: -10.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -97.809411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.809411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.809411 (E_RNA)
where:
Base-Base interactions energy: -39.835
where: short stacking energy: -39.835
Base-Backbone interact. energy: -0.133
local terms energy: -57.842013
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -11.823
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -5.246
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: 2
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -115.972635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.972635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.972635 (E_RNA)
where:
Base-Base interactions energy: -52.213
where: short stacking energy: -45.131
Base-Backbone interact. energy: -0.022
local terms energy: -63.737578
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -16.442
flat angles P-C4'-P energy: -8.656
tors. eta vs tors. theta energy: -8.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -86.277413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.277413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.277413 (E_RNA)
where:
Base-Base interactions energy: -30.927
where: short stacking energy: -30.443
Base-Backbone interact. energy: -0.104
local terms energy: -55.246853
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -7.151
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: 10, replica: 3
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -86.141874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.141874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.141874 (E_RNA)
where:
Base-Base interactions energy: -33.181
where: short stacking energy: -27.418
Base-Backbone interact. energy: -1.232
local terms energy: -51.728610
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -6.808
flat angles P-C4'-P energy: -13.416
tors. eta vs tors. theta energy: -1.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -262.574311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.574311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.574311 (E_RNA)
where:
Base-Base interactions energy: -173.489
where: short stacking energy: -72.998
Base-Backbone interact. energy: -0.061
local terms energy: -89.025059
where:
bonds (distance) C4'-P energy: -18.492
bonds (distance) P-C4' energy: -16.247
flat angles C4'-P-C4' energy: -18.835
flat angles P-C4'-P energy: -13.972
tors. eta vs tors. theta energy: -21.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -257.715241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.715241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.715241 (E_RNA)
where:
Base-Base interactions energy: -166.802
where: short stacking energy: -78.633
Base-Backbone interact. energy: -0.003
local terms energy: -90.909838
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -16.986
flat angles C4'-P-C4' energy: -18.975
flat angles P-C4'-P energy: -14.118
tors. eta vs tors. theta energy: -25.333
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: 6
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -243.197283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.197283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.197283 (E_RNA)
where:
Base-Base interactions energy: -160.703
where: short stacking energy: -74.917
Base-Backbone interact. energy: -0.207
local terms energy: -82.287389
where:
bonds (distance) C4'-P energy: -15.867
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -19.644
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -18.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -206.594666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.594666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.594666 (E_RNA)
where:
Base-Base interactions energy: -132.547
where: short stacking energy: -66.304
Base-Backbone interact. energy: -1.675
local terms energy: -72.372869
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -15.540
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -20.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -186.037039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.037039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.037039 (E_RNA)
where:
Base-Base interactions energy: -111.502
where: short stacking energy: -48.497
Base-Backbone interact. energy: -0.153
local terms energy: -74.381349
where:
bonds (distance) C4'-P energy: -17.191
bonds (distance) P-C4' energy: -16.201
flat angles C4'-P-C4' energy: -10.560
flat angles P-C4'-P energy: -14.205
tors. eta vs tors. theta energy: -16.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -114.496891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.496891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.496891 (E_RNA)
where:
Base-Base interactions energy: -57.816
where: short stacking energy: -40.859
Base-Backbone interact. energy: 0.315
local terms energy: -56.995671
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -16.954
flat angles C4'-P-C4' energy: -9.231
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -1.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -143.790370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.790370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.790370 (E_RNA)
where:
Base-Base interactions energy: -86.558
where: short stacking energy: -37.272
Base-Backbone interact. energy: -1.245
local terms energy: -55.987756
where:
bonds (distance) C4'-P energy: -15.946
bonds (distance) P-C4' energy: -14.580
flat angles C4'-P-C4' energy: -10.275
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -5.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -92.967964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.967964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.967964 (E_RNA)
where:
Base-Base interactions energy: -35.456
where: short stacking energy: -33.671
Base-Backbone interact. energy: -0.054
local terms energy: -57.457519
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: -4.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -75.201319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.201319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.201319 (E_RNA)
where:
Base-Base interactions energy: -26.988
where: short stacking energy: -26.746
Base-Backbone interact. energy: -0.295
local terms energy: -47.918288
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -13.140
flat angles C4'-P-C4' energy: -10.116
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: -0.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -78.810709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.810709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.810709 (E_RNA)
where:
Base-Base interactions energy: -38.840
where: short stacking energy: -22.748
Base-Backbone interact. energy: -0.127
local terms energy: -39.843627
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -14.583
flat angles C4'-P-C4' energy: -10.049
flat angles P-C4'-P energy: -4.291
tors. eta vs tors. theta energy: 1.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -257.025669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.025669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.025669 (E_RNA)
where:
Base-Base interactions energy: -165.953
where: short stacking energy: -77.893
Base-Backbone interact. energy: 0.663
local terms energy: -91.734970
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -19.269
flat angles C4'-P-C4' energy: -17.937
flat angles P-C4'-P energy: -15.872
tors. eta vs tors. theta energy: -23.204
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: 9
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -249.527111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.527111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.527111 (E_RNA)
where:
Base-Base interactions energy: -161.540
where: short stacking energy: -74.121
Base-Backbone interact. energy: -0.391
local terms energy: -87.596102
where:
bonds (distance) C4'-P energy: -19.770
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -17.575
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -24.061
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: 3, replica: 6
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -239.857978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.857978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.857978 (E_RNA)
where:
Base-Base interactions energy: -166.341
where: short stacking energy: -78.541
Base-Backbone interact. energy: -0.083
local terms energy: -73.434431
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -13.834
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -11.465
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: 4, replica: 5
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -201.780909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.780909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.780909 (E_RNA)
where:
Base-Base interactions energy: -120.245
where: short stacking energy: -67.402
Base-Backbone interact. energy: -1.290
local terms energy: -80.245740
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -13.177
tors. eta vs tors. theta energy: -20.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -181.525119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.525119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.525119 (E_RNA)
where:
Base-Base interactions energy: -107.980
where: short stacking energy: -49.548
Base-Backbone interact. energy: -0.042
local terms energy: -73.503681
where:
bonds (distance) C4'-P energy: -14.237
bonds (distance) P-C4' energy: -19.330
flat angles C4'-P-C4' energy: -14.585
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -16.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -96.362711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.362711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.362711 (E_RNA)
where:
Base-Base interactions energy: -28.670
where: short stacking energy: -27.680
Base-Backbone interact. energy: -0.426
local terms energy: -67.267031
where:
bonds (distance) C4'-P energy: -18.151
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -10.399
flat angles P-C4'-P energy: -11.124
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: 7, replica: 4
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -112.310456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.310456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.310456 (E_RNA)
where:
Base-Base interactions energy: -63.021
where: short stacking energy: -29.661
Base-Backbone interact. energy: 0.449
local terms energy: -49.737960
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: 2.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -92.955044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.955044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.955044 (E_RNA)
where:
Base-Base interactions energy: -36.944
where: short stacking energy: -28.407
Base-Backbone interact. energy: -0.269
local terms energy: -55.742489
where:
bonds (distance) C4'-P energy: -18.573
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -12.818
tors. eta vs tors. theta energy: 2.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -83.780651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.780651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.780651 (E_RNA)
where:
Base-Base interactions energy: -27.790
where: short stacking energy: -25.302
Base-Backbone interact. energy: -0.075
local terms energy: -55.915610
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -11.348
tors. eta vs tors. theta energy: -5.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -100.853773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.853773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.853773 (E_RNA)
where:
Base-Base interactions energy: -52.628
where: short stacking energy: -33.601
Base-Backbone interact. energy: -1.303
local terms energy: -46.922979
where:
bonds (distance) C4'-P energy: -11.560
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -1.469
tors. eta vs tors. theta energy: -3.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -263.856821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.856821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.856821 (E_RNA)
where:
Base-Base interactions energy: -175.892
where: short stacking energy: -88.055
Base-Backbone interact. energy: -1.506
local terms energy: -86.458901
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -17.372
flat angles P-C4'-P energy: -14.722
tors. eta vs tors. theta energy: -24.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -245.559952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.559952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.559952 (E_RNA)
where:
Base-Base interactions energy: -165.848
where: short stacking energy: -74.940
Base-Backbone interact. energy: -0.105
local terms energy: -79.606797
where:
bonds (distance) C4'-P energy: -18.674
bonds (distance) P-C4' energy: -18.780
flat angles C4'-P-C4' energy: -11.104
flat angles P-C4'-P energy: -13.011
tors. eta vs tors. theta energy: -18.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -228.246390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.246390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.246390 (E_RNA)
where:
Base-Base interactions energy: -152.975
where: short stacking energy: -63.813
Base-Backbone interact. energy: 1.267
local terms energy: -76.539324
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -20.659
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -16.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -191.264960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.264960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.264960 (E_RNA)
where:
Base-Base interactions energy: -108.815
where: short stacking energy: -60.561
Base-Backbone interact. energy: -0.112
local terms energy: -82.338103
where:
bonds (distance) C4'-P energy: -18.756
bonds (distance) P-C4' energy: -18.303
flat angles C4'-P-C4' energy: -19.311
flat angles P-C4'-P energy: -11.112
tors. eta vs tors. theta energy: -14.856
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: 1
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -170.974175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.974175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.974175 (E_RNA)
where:
Base-Base interactions energy: -99.624
where: short stacking energy: -48.225
Base-Backbone interact. energy: -0.626
local terms energy: -70.723721
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -17.720
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -8.114
tors. eta vs tors. theta energy: -14.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -107.085511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.085511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.085511 (E_RNA)
where:
Base-Base interactions energy: -50.107
where: short stacking energy: -23.090
Base-Backbone interact. energy: -1.594
local terms energy: -55.383799
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -13.403
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -8.669
tors. eta vs tors. theta energy: -2.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -111.020669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.020669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.020669 (E_RNA)
where:
Base-Base interactions energy: -46.781
where: short stacking energy: -32.310
Base-Backbone interact. energy: -0.635
local terms energy: -63.605053
where:
bonds (distance) C4'-P energy: -10.156
bonds (distance) P-C4' energy: -15.292
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -11.673
tors. eta vs tors. theta energy: -9.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -103.073957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.073957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.073957 (E_RNA)
where:
Base-Base interactions energy: -46.610
where: short stacking energy: -37.983
Base-Backbone interact. energy: -0.046
local terms energy: -56.418283
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -18.743
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -4.038
tors. eta vs tors. theta energy: -9.043
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: 8
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -84.258558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.258558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.258558 (E_RNA)
where:
Base-Base interactions energy: -28.161
where: short stacking energy: -27.954
Base-Backbone interact. energy: -0.121
local terms energy: -55.975696
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -16.820
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -6.261
tors. eta vs tors. theta energy: -1.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -80.958701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.958701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.958701 (E_RNA)
where:
Base-Base interactions energy: -29.508
where: short stacking energy: -29.262
Base-Backbone interact. energy: -0.114
local terms energy: -51.337616
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -3.942
tors. eta vs tors. theta energy: -3.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -266.547971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.547971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.547971 (E_RNA)
where:
Base-Base interactions energy: -171.948
where: short stacking energy: -85.296
Base-Backbone interact. energy: 0.228
local terms energy: -94.828047
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -17.071
flat angles C4'-P-C4' energy: -19.134
flat angles P-C4'-P energy: -15.895
tors. eta vs tors. theta energy: -26.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -242.962307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.962307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.962307 (E_RNA)
where:
Base-Base interactions energy: -153.474
where: short stacking energy: -78.060
Base-Backbone interact. energy: -0.139
local terms energy: -89.348587
where:
bonds (distance) C4'-P energy: -17.170
bonds (distance) P-C4' energy: -16.479
flat angles C4'-P-C4' energy: -19.460
flat angles P-C4'-P energy: -11.863
tors. eta vs tors. theta energy: -24.377
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: 3, replica: 9
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -234.462160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.462160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.462160 (E_RNA)
where:
Base-Base interactions energy: -158.249
where: short stacking energy: -74.648
Base-Backbone interact. energy: -0.151
local terms energy: -76.062140
where:
bonds (distance) C4'-P energy: -12.150
bonds (distance) P-C4' energy: -19.267
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -8.188
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: 4, replica: 5
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -197.658052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.658052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.658052 (E_RNA)
where:
Base-Base interactions energy: -114.946
where: short stacking energy: -54.788
Base-Backbone interact. energy: -0.114
local terms energy: -82.598051
where:
bonds (distance) C4'-P energy: -17.688
bonds (distance) P-C4' energy: -16.781
flat angles C4'-P-C4' energy: -18.455
flat angles P-C4'-P energy: -12.007
tors. eta vs tors. theta energy: -17.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -168.047914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.047914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.047914 (E_RNA)
where:
Base-Base interactions energy: -104.031
where: short stacking energy: -47.409
Base-Backbone interact. energy: -0.119
local terms energy: -63.897111
where:
bonds (distance) C4'-P energy: -16.637
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -9.247
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: 442
Temperature: 1.150000
Total energy: -117.790204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.790204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.790204 (E_RNA)
where:
Base-Base interactions energy: -53.714
where: short stacking energy: -30.569
Base-Backbone interact. energy: -0.003
local terms energy: -64.073560
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -18.715
flat angles C4'-P-C4' energy: -17.697
flat angles P-C4'-P energy: -1.080
tors. eta vs tors. theta energy: -10.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -95.063868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.063868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.063868 (E_RNA)
where:
Base-Base interactions energy: -38.176
where: short stacking energy: -30.017
Base-Backbone interact. energy: -0.087
local terms energy: -56.801611
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -10.807
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: 3
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -101.993561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.993561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.993561 (E_RNA)
where:
Base-Base interactions energy: -40.885
where: short stacking energy: -38.071
Base-Backbone interact. energy: 1.266
local terms energy: -62.374495
where:
bonds (distance) C4'-P energy: -17.941
bonds (distance) P-C4' energy: -19.024
flat angles C4'-P-C4' energy: -11.101
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: -6.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -93.445594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.445594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.445594 (E_RNA)
where:
Base-Base interactions energy: -35.917
where: short stacking energy: -32.371
Base-Backbone interact. energy: 0.508
local terms energy: -58.036030
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -18.954
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -5.641
tors. eta vs tors. theta energy: -3.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -80.560712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.560712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.560712 (E_RNA)
where:
Base-Base interactions energy: -27.714
where: short stacking energy: -25.579
Base-Backbone interact. energy: -0.342
local terms energy: -52.504853
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -18.362
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -3.406
tors. eta vs tors. theta energy: -5.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -259.330938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.330938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.330938 (E_RNA)
where:
Base-Base interactions energy: -176.438
where: short stacking energy: -87.776
Base-Backbone interact. energy: -0.029
local terms energy: -82.864201
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -17.836
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -27.078
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: 2, replica: 9
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -238.098214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.098214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.098214 (E_RNA)
where:
Base-Base interactions energy: -154.635
where: short stacking energy: -69.882
Base-Backbone interact. energy: -0.007
local terms energy: -83.456025
where:
bonds (distance) C4'-P energy: -18.521
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -17.237
flat angles P-C4'-P energy: -15.392
tors. eta vs tors. theta energy: -17.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -251.408689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.408689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.408689 (E_RNA)
where:
Base-Base interactions energy: -161.466
where: short stacking energy: -77.698
Base-Backbone interact. energy: -0.576
local terms energy: -89.366127
where:
bonds (distance) C4'-P energy: -19.138
bonds (distance) P-C4' energy: -15.041
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -13.630
tors. eta vs tors. theta energy: -25.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -201.946648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.946648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.946648 (E_RNA)
where:
Base-Base interactions energy: -126.945
where: short stacking energy: -64.073
Base-Backbone interact. energy: -0.117
local terms energy: -74.884278
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -16.027
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -10.221
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: 5, replica: 1
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -186.938306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.938306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.938306 (E_RNA)
where:
Base-Base interactions energy: -123.861
where: short stacking energy: -50.585
Base-Backbone interact. energy: -0.139
local terms energy: -62.938075
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -10.845
flat angles C4'-P-C4' energy: -12.043
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -14.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -100.490594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.490594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.490594 (E_RNA)
where:
Base-Base interactions energy: -51.497
where: short stacking energy: -32.453
Base-Backbone interact. energy: -0.415
local terms energy: -48.578590
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -6.654
tors. eta vs tors. theta energy: 1.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -98.039154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.039154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.039154 (E_RNA)
where:
Base-Base interactions energy: -49.641
where: short stacking energy: -24.205
Base-Backbone interact. energy: -0.216
local terms energy: -48.182496
where:
bonds (distance) C4'-P energy: -9.244
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -11.652
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: -4.206
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: 2
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -101.971863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.971863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.971863 (E_RNA)
where:
Base-Base interactions energy: -39.819
where: short stacking energy: -37.024
Base-Backbone interact. energy: -0.196
local terms energy: -61.957312
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -8.869
flat angles C4'-P-C4' energy: -17.218
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -12.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -87.746179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.746179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.746179 (E_RNA)
where:
Base-Base interactions energy: -32.165
where: short stacking energy: -25.891
Base-Backbone interact. energy: -0.049
local terms energy: -55.531793
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: 1.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -79.596507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.596507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.596507 (E_RNA)
where:
Base-Base interactions energy: -24.566
where: short stacking energy: -24.566
Base-Backbone interact. energy: -0.157
local terms energy: -54.873337
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -15.723
flat angles C4'-P-C4' energy: -10.814
flat angles P-C4'-P energy: -11.084
tors. eta vs tors. theta energy: -1.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -248.620329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.620329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.620329 (E_RNA)
where:
Base-Base interactions energy: -166.527
where: short stacking energy: -74.207
Base-Backbone interact. energy: -0.034
local terms energy: -82.059513
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -16.559
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -12.661
tors. eta vs tors. theta energy: -21.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -249.663924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.663924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.663924 (E_RNA)
where:
Base-Base interactions energy: -166.363
where: short stacking energy: -73.261
Base-Backbone interact. energy: -0.039
local terms energy: -83.261795
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -13.054
tors. eta vs tors. theta energy: -22.622
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: 6
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -242.381087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.381087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.381087 (E_RNA)
where:
Base-Base interactions energy: -154.472
where: short stacking energy: -68.852
Base-Backbone interact. energy: -2.057
local terms energy: -85.852090
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -20.134
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -22.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -215.088798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.088798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.088798 (E_RNA)
where:
Base-Base interactions energy: -128.493
where: short stacking energy: -70.238
Base-Backbone interact. energy: -0.563
local terms energy: -86.032551
where:
bonds (distance) C4'-P energy: -15.338
bonds (distance) P-C4' energy: -18.749
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -13.977
tors. eta vs tors. theta energy: -21.173
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: 1
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -191.192003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.192003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.192003 (E_RNA)
where:
Base-Base interactions energy: -115.813
where: short stacking energy: -56.518
Base-Backbone interact. energy: -0.471
local terms energy: -74.907779
where:
bonds (distance) C4'-P energy: -16.608
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -12.663
tors. eta vs tors. theta energy: -17.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -156.435040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.435040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.435040 (E_RNA)
where:
Base-Base interactions energy: -89.866
where: short stacking energy: -35.049
Base-Backbone interact. energy: -0.437
local terms energy: -66.132852
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -15.407
flat angles C4'-P-C4' energy: -11.475
flat angles P-C4'-P energy: -13.351
tors. eta vs tors. theta energy: -9.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -107.844942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.844942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.844942 (E_RNA)
where:
Base-Base interactions energy: -34.312
where: short stacking energy: -31.080
Base-Backbone interact. energy: -0.609
local terms energy: -72.923310
where:
bonds (distance) C4'-P energy: -19.067
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -17.879
flat angles P-C4'-P energy: -12.764
tors. eta vs tors. theta energy: -6.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -97.511450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.511450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.511450 (E_RNA)
where:
Base-Base interactions energy: -32.810
where: short stacking energy: -22.322
Base-Backbone interact. energy: -0.168
local terms energy: -64.533940
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -21.146
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: -0.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -101.459714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.459714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.459714 (E_RNA)
where:
Base-Base interactions energy: -33.702
where: short stacking energy: -27.868
Base-Backbone interact. energy: -0.556
local terms energy: -67.202013
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -14.860
tors. eta vs tors. theta energy: -5.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -79.988110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.988110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.988110 (E_RNA)
where:
Base-Base interactions energy: -16.309
where: short stacking energy: -15.412
Base-Backbone interact. energy: 0.424
local terms energy: -64.102854
where:
bonds (distance) C4'-P energy: -19.489
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -19.161
flat angles P-C4'-P energy: -5.710
tors. eta vs tors. theta energy: -4.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -254.498833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.498833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.498833 (E_RNA)
where:
Base-Base interactions energy: -168.855
where: short stacking energy: -73.360
Base-Backbone interact. energy: -0.310
local terms energy: -85.334615
where:
bonds (distance) C4'-P energy: -17.070
bonds (distance) P-C4' energy: -18.838
flat angles C4'-P-C4' energy: -19.148
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -21.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -259.471428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.471428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.471428 (E_RNA)
where:
Base-Base interactions energy: -167.229
where: short stacking energy: -84.714
Base-Backbone interact. energy: -0.002
local terms energy: -92.240556
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -16.704
flat angles P-C4'-P energy: -13.161
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: 3, replica: 7
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -233.155014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.155014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.155014 (E_RNA)
where:
Base-Base interactions energy: -159.959
where: short stacking energy: -73.519
Base-Backbone interact. energy: -0.230
local terms energy: -72.965925
where:
bonds (distance) C4'-P energy: -10.379
bonds (distance) P-C4' energy: -15.556
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -20.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -200.714943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.714943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.714943 (E_RNA)
where:
Base-Base interactions energy: -122.148
where: short stacking energy: -64.603
Base-Backbone interact. energy: -0.031
local terms energy: -78.535658
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -16.838
flat angles C4'-P-C4' energy: -17.487
flat angles P-C4'-P energy: -8.234
tors. eta vs tors. theta energy: -19.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -167.831576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.831576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.831576 (E_RNA)
where:
Base-Base interactions energy: -99.720
where: short stacking energy: -49.286
Base-Backbone interact. energy: 0.460
local terms energy: -68.571373
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -18.292
flat angles P-C4'-P energy: -9.274
tors. eta vs tors. theta energy: -10.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -171.122126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.122126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.122126 (E_RNA)
where:
Base-Base interactions energy: -96.497
where: short stacking energy: -39.228
Base-Backbone interact. energy: -0.608
local terms energy: -74.017157
where:
bonds (distance) C4'-P energy: -18.815
bonds (distance) P-C4' energy: -14.320
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -13.037
tors. eta vs tors. theta energy: -10.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -103.067884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.067884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.067884 (E_RNA)
where:
Base-Base interactions energy: -37.260
where: short stacking energy: -30.843
Base-Backbone interact. energy: -0.887
local terms energy: -64.920747
where:
bonds (distance) C4'-P energy: -15.939
bonds (distance) P-C4' energy: -18.098
flat angles C4'-P-C4' energy: -17.711
flat angles P-C4'-P energy: -6.125
tors. eta vs tors. theta energy: -7.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -88.735792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.735792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.735792 (E_RNA)
where:
Base-Base interactions energy: -29.428
where: short stacking energy: -25.328
Base-Backbone interact. energy: -1.164
local terms energy: -58.143107
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -4.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -82.978623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.978623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.978623 (E_RNA)
where:
Base-Base interactions energy: -33.842
where: short stacking energy: -26.127
Base-Backbone interact. energy: -1.043
local terms energy: -48.093919
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -10.010
flat angles P-C4'-P energy: -5.647
tors. eta vs tors. theta energy: -1.523
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: 3
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -89.507129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.507129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.507129 (E_RNA)
where:
Base-Base interactions energy: -40.726
where: short stacking energy: -23.693
Base-Backbone interact. energy: -1.246
local terms energy: -47.535446
where:
bonds (distance) C4'-P energy: -7.963
bonds (distance) P-C4' energy: -18.377
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -5.406
tors. eta vs tors. theta energy: -2.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -259.552710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.552710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.552710 (E_RNA)
where:
Base-Base interactions energy: -173.778
where: short stacking energy: -76.090
Base-Backbone interact. energy: -0.368
local terms energy: -85.406994
where:
bonds (distance) C4'-P energy: -14.121
bonds (distance) P-C4' energy: -19.686
flat angles C4'-P-C4' energy: -20.249
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -21.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -243.101209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.101209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.101209 (E_RNA)
where:
Base-Base interactions energy: -158.924
where: short stacking energy: -70.043
Base-Backbone interact. energy: -0.021
local terms energy: -84.156531
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -19.278
flat angles C4'-P-C4' energy: -16.931
flat angles P-C4'-P energy: -13.059
tors. eta vs tors. theta energy: -19.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -234.190675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.190675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.190675 (E_RNA)
where:
Base-Base interactions energy: -149.350
where: short stacking energy: -68.193
Base-Backbone interact. energy: -0.056
local terms energy: -84.784549
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -13.767
tors. eta vs tors. theta energy: -21.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -197.514185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.514185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.514185 (E_RNA)
where:
Base-Base interactions energy: -111.570
where: short stacking energy: -56.687
Base-Backbone interact. energy: -0.012
local terms energy: -85.932555
where:
bonds (distance) C4'-P energy: -16.877
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -13.930
tors. eta vs tors. theta energy: -18.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -184.924815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.924815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.924815 (E_RNA)
where:
Base-Base interactions energy: -115.135
where: short stacking energy: -52.048
Base-Backbone interact. energy: -0.191
local terms energy: -69.599202
where:
bonds (distance) C4'-P energy: -16.954
bonds (distance) P-C4' energy: -12.322
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: -13.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -174.201243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.201243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.201243 (E_RNA)
where:
Base-Base interactions energy: -114.402
where: short stacking energy: -49.120
Base-Backbone interact. energy: 0.294
local terms energy: -60.094032
where:
bonds (distance) C4'-P energy: -6.892
bonds (distance) P-C4' energy: -12.865
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: -13.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -101.074411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.074411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.074411 (E_RNA)
where:
Base-Base interactions energy: -40.868
where: short stacking energy: -34.891
Base-Backbone interact. energy: -0.075
local terms energy: -60.131053
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -11.847
flat angles C4'-P-C4' energy: -16.533
flat angles P-C4'-P energy: -9.265
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: 2
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -95.574313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.574313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.574313 (E_RNA)
where:
Base-Base interactions energy: -34.317
where: short stacking energy: -35.876
Base-Backbone interact. energy: -0.770
local terms energy: -60.486686
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -7.812
tors. eta vs tors. theta energy: -8.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -84.100439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.100439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.100439 (E_RNA)
where:
Base-Base interactions energy: -26.166
where: short stacking energy: -26.166
Base-Backbone interact. energy: 0.612
local terms energy: -58.546858
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -17.757
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -2.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -88.201047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.201047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.201047 (E_RNA)
where:
Base-Base interactions energy: -31.873
where: short stacking energy: -18.780
Base-Backbone interact. energy: -0.087
local terms energy: -56.241483
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -9.324
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: 1, replica: 6
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -257.996886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.996886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.996886 (E_RNA)
where:
Base-Base interactions energy: -175.093
where: short stacking energy: -74.852
Base-Backbone interact. energy: -0.206
local terms energy: -82.698291
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -19.584
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -22.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -252.107504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.107504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.107504 (E_RNA)
where:
Base-Base interactions energy: -163.109
where: short stacking energy: -77.899
Base-Backbone interact. energy: -0.011
local terms energy: -88.987356
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -19.675
flat angles C4'-P-C4' energy: -18.252
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -23.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -240.472359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.472359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.472359 (E_RNA)
where:
Base-Base interactions energy: -160.113
where: short stacking energy: -69.550
Base-Backbone interact. energy: 0.335
local terms energy: -80.694231
where:
bonds (distance) C4'-P energy: -14.788
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -18.310
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -19.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -195.857834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.857834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.857834 (E_RNA)
where:
Base-Base interactions energy: -109.946
where: short stacking energy: -47.026
Base-Backbone interact. energy: -0.468
local terms energy: -85.443994
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -19.292
flat angles C4'-P-C4' energy: -16.594
flat angles P-C4'-P energy: -12.198
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: 5, replica: 5
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -180.727238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.727238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.727238 (E_RNA)
where:
Base-Base interactions energy: -110.835
where: short stacking energy: -55.701
Base-Backbone interact. energy: -0.020
local terms energy: -69.872226
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: -14.448
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: 1
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -136.371394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.371394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.371394 (E_RNA)
where:
Base-Base interactions energy: -86.768
where: short stacking energy: -32.171
Base-Backbone interact. energy: -0.234
local terms energy: -49.369801
where:
bonds (distance) C4'-P energy: -15.226
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -8.267
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: 2.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -96.361345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.361345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.361345 (E_RNA)
where:
Base-Base interactions energy: -33.444
where: short stacking energy: -26.599
Base-Backbone interact. energy: -0.083
local terms energy: -62.835148
where:
bonds (distance) C4'-P energy: -12.359
bonds (distance) P-C4' energy: -18.083
flat angles C4'-P-C4' energy: -18.366
flat angles P-C4'-P energy: -11.837
tors. eta vs tors. theta energy: -2.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -91.099540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.099540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.099540 (E_RNA)
where:
Base-Base interactions energy: -39.787
where: short stacking energy: -39.787
Base-Backbone interact. energy: -0.044
local terms energy: -51.268430
where:
bonds (distance) C4'-P energy: -7.898
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -6.406
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: 2
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -93.172397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.172397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.172397 (E_RNA)
where:
Base-Base interactions energy: -31.677
where: short stacking energy: -31.677
Base-Backbone interact. energy: -0.097
local terms energy: -61.398397
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -21.125
flat angles C4'-P-C4' energy: -19.158
flat angles P-C4'-P energy: -4.758
tors. eta vs tors. theta energy: -2.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -83.277915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.277915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.277915 (E_RNA)
where:
Base-Base interactions energy: -28.862
where: short stacking energy: -28.537
Base-Backbone interact. energy: -0.617
local terms energy: -53.798822
where:
bonds (distance) C4'-P energy: -6.764
bonds (distance) P-C4' energy: -12.332
flat angles C4'-P-C4' energy: -18.020
flat angles P-C4'-P energy: -11.966
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: 1, replica: 6
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -251.567184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.567184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.567184 (E_RNA)
where:
Base-Base interactions energy: -168.233
where: short stacking energy: -71.860
Base-Backbone interact. energy: -0.115
local terms energy: -83.219513
where:
bonds (distance) C4'-P energy: -11.746
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -19.125
flat angles P-C4'-P energy: -10.912
tors. eta vs tors. theta energy: -21.948
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: 7
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -255.608542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.608542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.608542 (E_RNA)
where:
Base-Base interactions energy: -165.432
where: short stacking energy: -76.642
Base-Backbone interact. energy: -0.002
local terms energy: -90.174524
where:
bonds (distance) C4'-P energy: -17.664
bonds (distance) P-C4' energy: -21.125
flat angles C4'-P-C4' energy: -17.785
flat angles P-C4'-P energy: -13.607
tors. eta vs tors. theta energy: -19.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -207.368893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.368893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.368893 (E_RNA)
where:
Base-Base interactions energy: -124.509
where: short stacking energy: -60.704
Base-Backbone interact. energy: -0.367
local terms energy: -82.492048
where:
bonds (distance) C4'-P energy: -17.701
bonds (distance) P-C4' energy: -16.847
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -11.350
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: 4, replica: 9
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -219.818565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.818565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.818565 (E_RNA)
where:
Base-Base interactions energy: -150.775
where: short stacking energy: -64.802
Base-Backbone interact. energy: -0.061
local terms energy: -68.982143
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -12.848
tors. eta vs tors. theta energy: -13.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -192.735097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.735097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.735097 (E_RNA)
where:
Base-Base interactions energy: -120.430
where: short stacking energy: -55.684
Base-Backbone interact. energy: -0.075
local terms energy: -72.229457
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -16.165
flat angles C4'-P-C4' energy: -16.189
flat angles P-C4'-P energy: -11.648
tors. eta vs tors. theta energy: -14.474
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: 6, replica: 1
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -98.115651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.115651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.115651 (E_RNA)
where:
Base-Base interactions energy: -36.235
where: short stacking energy: -24.303
Base-Backbone interact. energy: -0.552
local terms energy: -61.328103
where:
bonds (distance) C4'-P energy: -17.158
bonds (distance) P-C4' energy: -11.587
flat angles C4'-P-C4' energy: -17.962
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -3.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -111.529472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.529472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.529472 (E_RNA)
where:
Base-Base interactions energy: -42.561
where: short stacking energy: -32.153
Base-Backbone interact. energy: 0.693
local terms energy: -69.660947
where:
bonds (distance) C4'-P energy: -15.909
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -16.739
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -8.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -95.335345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.335345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.335345 (E_RNA)
where:
Base-Base interactions energy: -36.095
where: short stacking energy: -31.836
Base-Backbone interact. energy: -0.103
local terms energy: -59.137545
where:
bonds (distance) C4'-P energy: -14.203
bonds (distance) P-C4' energy: -19.324
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -2.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -91.741947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.741947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.741947 (E_RNA)
where:
Base-Base interactions energy: -28.839
where: short stacking energy: -28.839
Base-Backbone interact. energy: -1.035
local terms energy: -61.867919
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -11.250
flat angles C4'-P-C4' energy: -17.259
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: -7.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -87.396343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.396343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.396343 (E_RNA)
where:
Base-Base interactions energy: -31.364
where: short stacking energy: -28.672
Base-Backbone interact. energy: 0.732
local terms energy: -56.764393
where:
bonds (distance) C4'-P energy: -19.692
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -6.557
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -3.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -249.007833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.007833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.007833 (E_RNA)
where:
Base-Base interactions energy: -164.740
where: short stacking energy: -75.352
Base-Backbone interact. energy: -0.005
local terms energy: -84.262726
where:
bonds (distance) C4'-P energy: -16.355
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -15.370
tors. eta vs tors. theta energy: -20.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -250.944458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.944458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.944458 (E_RNA)
where:
Base-Base interactions energy: -166.198
where: short stacking energy: -84.000
Base-Backbone interact. energy: -0.005
local terms energy: -84.741080
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -18.693
flat angles C4'-P-C4' energy: -17.351
flat angles P-C4'-P energy: -8.083
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: 3, replica: 4
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -189.868258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.868258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.868258 (E_RNA)
where:
Base-Base interactions energy: -114.706
where: short stacking energy: -55.850
Base-Backbone interact. energy: -0.411
local terms energy: -74.751873
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -12.767
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: 4, replica: 9
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -238.092521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.092521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.092521 (E_RNA)
where:
Base-Base interactions energy: -155.475
where: short stacking energy: -62.812
Base-Backbone interact. energy: -0.006
local terms energy: -82.611412
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -18.006
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -14.943
tors. eta vs tors. theta energy: -20.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -167.267654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.267654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.267654 (E_RNA)
where:
Base-Base interactions energy: -95.949
where: short stacking energy: -47.915
Base-Backbone interact. energy: -0.247
local terms energy: -71.071436
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -18.995
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -14.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -97.450243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.450243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.450243 (E_RNA)
where:
Base-Base interactions energy: -27.146
where: short stacking energy: -23.335
Base-Backbone interact. energy: -0.165
local terms energy: -70.139225
where:
bonds (distance) C4'-P energy: -18.330
bonds (distance) P-C4' energy: -19.493
flat angles C4'-P-C4' energy: -17.372
flat angles P-C4'-P energy: -14.068
tors. eta vs tors. theta energy: -0.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -93.213480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.213480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.213480 (E_RNA)
where:
Base-Base interactions energy: -29.834
where: short stacking energy: -26.847
Base-Backbone interact. energy: -0.169
local terms energy: -63.210222
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -15.886
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -5.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -103.786969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.786969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.786969 (E_RNA)
where:
Base-Base interactions energy: -46.535
where: short stacking energy: -32.398
Base-Backbone interact. energy: -0.799
local terms energy: -56.453470
where:
bonds (distance) C4'-P energy: -16.298
bonds (distance) P-C4' energy: -18.892
flat angles C4'-P-C4' energy: -12.627
flat angles P-C4'-P energy: -7.601
tors. eta vs tors. theta energy: -1.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -88.900347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.900347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.900347 (E_RNA)
where:
Base-Base interactions energy: -29.710
where: short stacking energy: -26.248
Base-Backbone interact. energy: -0.617
local terms energy: -58.573703
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -19.135
flat angles P-C4'-P energy: -7.111
tors. eta vs tors. theta energy: 1.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -100.318193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.318193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.318193 (E_RNA)
where:
Base-Base interactions energy: -40.857
where: short stacking energy: -30.771
Base-Backbone interact. energy: -0.280
local terms energy: -59.181138
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -7.212
tors. eta vs tors. theta energy: -5.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -260.285534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.285534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.285534 (E_RNA)
where:
Base-Base interactions energy: -174.727
where: short stacking energy: -84.062
Base-Backbone interact. energy: -0.308
local terms energy: -85.250597
where:
bonds (distance) C4'-P energy: -17.713
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -16.736
flat angles P-C4'-P energy: -13.424
tors. eta vs tors. theta energy: -20.556
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: 450
Temperature: 0.950000
Total energy: -264.284122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.284122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.284122 (E_RNA)
where:
Base-Base interactions energy: -173.027
where: short stacking energy: -89.143
Base-Backbone interact. energy: -0.007
local terms energy: -91.250039
where:
bonds (distance) C4'-P energy: -19.842
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -13.269
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: 450
Temperature: 1.000000
Total energy: -243.834573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.834573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.834573 (E_RNA)
where:
Base-Base interactions energy: -152.578
where: short stacking energy: -68.246
Base-Backbone interact. energy: -0.085
local terms energy: -91.171303
where:
bonds (distance) C4'-P energy: -17.941
bonds (distance) P-C4' energy: -19.711
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -13.034
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: 4, replica: 4
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -197.873998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.873998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.873998 (E_RNA)
where:
Base-Base interactions energy: -123.121
where: short stacking energy: -57.676
Base-Backbone interact. energy: -0.097
local terms energy: -74.655339
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -18.697
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -15.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -174.684766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.684766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.684766 (E_RNA)
where:
Base-Base interactions energy: -102.556
where: short stacking energy: -57.358
Base-Backbone interact. energy: -0.023
local terms energy: -72.105755
where:
bonds (distance) C4'-P energy: -18.264
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -11.000
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -13.942
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: 450
Temperature: 1.150000
Total energy: -103.883876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.883876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.883876 (E_RNA)
where:
Base-Base interactions energy: -35.830
where: short stacking energy: -35.830
Base-Backbone interact. energy: -0.085
local terms energy: -67.969013
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -17.558
flat angles C4'-P-C4' energy: -17.407
flat angles P-C4'-P energy: -10.110
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: 7, replica: 8
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -89.805297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.805297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.805297 (E_RNA)
where:
Base-Base interactions energy: -35.211
where: short stacking energy: -27.892
Base-Backbone interact. energy: -1.631
local terms energy: -52.962941
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: -9.615
tors. eta vs tors. theta energy: -3.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -86.627714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.627714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.627714 (E_RNA)
where:
Base-Base interactions energy: -26.799
where: short stacking energy: -26.799
Base-Backbone interact. energy: -0.729
local terms energy: -59.099533
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -16.588
flat angles C4'-P-C4' energy: -16.454
flat angles P-C4'-P energy: -5.446
tors. eta vs tors. theta energy: -7.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -99.578724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.578724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.578724 (E_RNA)
where:
Base-Base interactions energy: -50.518
where: short stacking energy: -26.070
Base-Backbone interact. energy: -1.295
local terms energy: -47.766231
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -10.913
flat angles P-C4'-P energy: -7.253
tors. eta vs tors. theta energy: 2.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -87.563674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.563674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.563674 (E_RNA)
where:
Base-Base interactions energy: -28.794
where: short stacking energy: -31.150
Base-Backbone interact. energy: -0.075
local terms energy: -58.694669
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -13.450
flat angles C4'-P-C4' energy: -18.023
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -4.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -266.977028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.977028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.977028 (E_RNA)
where:
Base-Base interactions energy: -184.212
where: short stacking energy: -77.602
Base-Backbone interact. energy: -0.846
local terms energy: -81.919175
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -18.128
flat angles P-C4'-P energy: -12.798
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: 2, replica: 6
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -264.135256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.135256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.135256 (E_RNA)
where:
Base-Base interactions energy: -161.169
where: short stacking energy: -80.361
Base-Backbone interact. energy: -1.266
local terms energy: -101.700248
where:
bonds (distance) C4'-P energy: -18.801
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -19.535
flat angles P-C4'-P energy: -16.004
tors. eta vs tors. theta energy: -26.768
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: 9
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -257.157618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.157618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.157618 (E_RNA)
where:
Base-Base interactions energy: -164.336
where: short stacking energy: -82.008
Base-Backbone interact. energy: -0.091
local terms energy: -92.730546
where:
bonds (distance) C4'-P energy: -18.081
bonds (distance) P-C4' energy: -18.308
flat angles C4'-P-C4' energy: -18.806
flat angles P-C4'-P energy: -14.056
tors. eta vs tors. theta energy: -23.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -184.053202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.053202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.053202 (E_RNA)
where:
Base-Base interactions energy: -110.989
where: short stacking energy: -57.044
Base-Backbone interact. energy: -0.016
local terms energy: -73.048811
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -16.241
flat angles P-C4'-P energy: -13.556
tors. eta vs tors. theta energy: -12.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -190.192652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.192652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.192652 (E_RNA)
where:
Base-Base interactions energy: -115.141
where: short stacking energy: -49.569
Base-Backbone interact. energy: -0.010
local terms energy: -75.042541
where:
bonds (distance) C4'-P energy: -16.174
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -12.231
tors. eta vs tors. theta energy: -13.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -109.836167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.836167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.836167 (E_RNA)
where:
Base-Base interactions energy: -45.471
where: short stacking energy: -18.685
Base-Backbone interact. energy: -0.143
local terms energy: -64.222593
where:
bonds (distance) C4'-P energy: -18.541
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -19.030
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -0.016
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: 10
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -97.602925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.602925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.602925 (E_RNA)
where:
Base-Base interactions energy: -42.727
where: short stacking energy: -38.607
Base-Backbone interact. energy: -0.076
local terms energy: -54.799564
where:
bonds (distance) C4'-P energy: -12.701
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -6.660
tors. eta vs tors. theta energy: -5.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -83.995093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.995093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.995093 (E_RNA)
where:
Base-Base interactions energy: -27.118
where: short stacking energy: -24.254
Base-Backbone interact. energy: -0.770
local terms energy: -56.107667
where:
bonds (distance) C4'-P energy: -19.045
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -2.415
tors. eta vs tors. theta energy: -6.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -79.459224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.459224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.459224 (E_RNA)
where:
Base-Base interactions energy: -28.855
where: short stacking energy: -20.220
Base-Backbone interact. energy: -0.078
local terms energy: -50.525830
where:
bonds (distance) C4'-P energy: -10.546
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -7.065
tors. eta vs tors. theta energy: -2.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -79.524772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.524772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.524772 (E_RNA)
where:
Base-Base interactions energy: -31.192
where: short stacking energy: -26.745
Base-Backbone interact. energy: 6.781
local terms energy: -55.113732
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -18.259
flat angles C4'-P-C4' energy: -10.559
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -1.684
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: 1, replica: 6
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -264.177499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.177499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.177499 (E_RNA)
where:
Base-Base interactions energy: -174.769
where: short stacking energy: -88.712
Base-Backbone interact. energy: -0.019
local terms energy: -89.389148
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -17.638
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -27.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -261.142576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.142576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.142576 (E_RNA)
where:
Base-Base interactions energy: -171.255
where: short stacking energy: -81.182
Base-Backbone interact. energy: -1.197
local terms energy: -88.690170
where:
bonds (distance) C4'-P energy: -19.158
bonds (distance) P-C4' energy: -16.623
flat angles C4'-P-C4' energy: -20.608
flat angles P-C4'-P energy: -9.406
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: 3, replica: 4
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -192.129099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.129099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.129099 (E_RNA)
where:
Base-Base interactions energy: -107.526
where: short stacking energy: -52.164
Base-Backbone interact. energy: -0.042
local terms energy: -84.560532
where:
bonds (distance) C4'-P energy: -18.321
bonds (distance) P-C4' energy: -19.549
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -11.256
tors. eta vs tors. theta energy: -18.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -245.119268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.119268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.119268 (E_RNA)
where:
Base-Base interactions energy: -161.592
where: short stacking energy: -75.833
Base-Backbone interact. energy: 0.776
local terms energy: -84.303363
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: -15.478
tors. eta vs tors. theta energy: -23.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -191.354689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.354689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.354689 (E_RNA)
where:
Base-Base interactions energy: -123.697
where: short stacking energy: -60.072
Base-Backbone interact. energy: -0.554
local terms energy: -67.103468
where:
bonds (distance) C4'-P energy: -17.258
bonds (distance) P-C4' energy: -11.310
flat angles C4'-P-C4' energy: -11.512
flat angles P-C4'-P energy: -13.093
tors. eta vs tors. theta energy: -13.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -117.263934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.263934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.263934 (E_RNA)
where:
Base-Base interactions energy: -59.319
where: short stacking energy: -36.133
Base-Backbone interact. energy: 0.264
local terms energy: -58.209313
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -12.607
flat angles C4'-P-C4' energy: -18.883
flat angles P-C4'-P energy: -11.573
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: 7, replica: 3
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -103.033105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.033105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.033105 (E_RNA)
where:
Base-Base interactions energy: -40.290
where: short stacking energy: -38.921
Base-Backbone interact. energy: -0.599
local terms energy: -62.143880
where:
bonds (distance) C4'-P energy: -11.359
bonds (distance) P-C4' energy: -13.260
flat angles C4'-P-C4' energy: -17.150
flat angles P-C4'-P energy: -12.742
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: 10
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -91.224571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.224571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.224571 (E_RNA)
where:
Base-Base interactions energy: -40.809
where: short stacking energy: -28.586
Base-Backbone interact. energy: -0.892
local terms energy: -49.523361
where:
bonds (distance) C4'-P energy: -12.953
bonds (distance) P-C4' energy: -19.274
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -8.021
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: 2
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -75.728619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.728619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.728619 (E_RNA)
where:
Base-Base interactions energy: -25.168
where: short stacking energy: -20.239
Base-Backbone interact. energy: 0.317
local terms energy: -50.878106
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -12.592
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: 10, replica: 1
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -82.801846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.801846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.801846 (E_RNA)
where:
Base-Base interactions energy: -26.175
where: short stacking energy: -25.113
Base-Backbone interact. energy: 1.530
local terms energy: -58.157654
where:
bonds (distance) C4'-P energy: -11.303
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -17.302
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: -4.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -248.030877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.030877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.030877 (E_RNA)
where:
Base-Base interactions energy: -166.826
where: short stacking energy: -78.150
Base-Backbone interact. energy: -0.337
local terms energy: -80.867374
where:
bonds (distance) C4'-P energy: -9.582
bonds (distance) P-C4' energy: -17.720
flat angles C4'-P-C4' energy: -17.461
flat angles P-C4'-P energy: -12.505
tors. eta vs tors. theta energy: -23.599
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: 7
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -256.599120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.599120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.599120 (E_RNA)
where:
Base-Base interactions energy: -163.662
where: short stacking energy: -75.247
Base-Backbone interact. energy: -0.298
local terms energy: -92.639464
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -19.932
flat angles P-C4'-P energy: -14.616
tors. eta vs tors. theta energy: -24.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -196.965582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.965582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.965582 (E_RNA)
where:
Base-Base interactions energy: -122.334
where: short stacking energy: -58.058
Base-Backbone interact. energy: 0.055
local terms energy: -74.686038
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -19.462
flat angles P-C4'-P energy: -11.340
tors. eta vs tors. theta energy: -13.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -237.858859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.858859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.858859 (E_RNA)
where:
Base-Base interactions energy: -148.820
where: short stacking energy: -74.743
Base-Backbone interact. energy: -0.027
local terms energy: -89.011792
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -18.347
flat angles P-C4'-P energy: -12.842
tors. eta vs tors. theta energy: -26.534
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: 5
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -178.367926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.367926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.367926 (E_RNA)
where:
Base-Base interactions energy: -114.466
where: short stacking energy: -58.049
Base-Backbone interact. energy: -1.017
local terms energy: -62.884427
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -12.779
flat angles C4'-P-C4' energy: -11.800
flat angles P-C4'-P energy: -11.707
tors. eta vs tors. theta energy: -10.932
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: 3
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -109.741534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.741534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.741534 (E_RNA)
where:
Base-Base interactions energy: -44.104
where: short stacking energy: -34.402
Base-Backbone interact. energy: -0.584
local terms energy: -65.054451
where:
bonds (distance) C4'-P energy: -18.682
bonds (distance) P-C4' energy: -17.215
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -9.730
tors. eta vs tors. theta energy: -3.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -111.670774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.670774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.670774 (E_RNA)
where:
Base-Base interactions energy: -49.589
where: short stacking energy: -30.624
Base-Backbone interact. energy: -0.919
local terms energy: -61.163068
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -18.766
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -5.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -89.528759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.528759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.528759 (E_RNA)
where:
Base-Base interactions energy: -35.959
where: short stacking energy: -24.130
Base-Backbone interact. energy: -0.479
local terms energy: -53.091218
where:
bonds (distance) C4'-P energy: -10.740
bonds (distance) P-C4' energy: -17.314
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -6.541
tors. eta vs tors. theta energy: -2.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -93.890338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.890338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.890338 (E_RNA)
where:
Base-Base interactions energy: -41.767
where: short stacking energy: -32.030
Base-Backbone interact. energy: -0.169
local terms energy: -51.953983
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -6.555
tors. eta vs tors. theta energy: -2.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -78.503293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.503293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.503293 (E_RNA)
where:
Base-Base interactions energy: -27.638
where: short stacking energy: -27.638
Base-Backbone interact. energy: 0.212
local terms energy: -51.077389
where:
bonds (distance) C4'-P energy: -10.527
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -10.749
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -5.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -253.268823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.268823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.268823 (E_RNA)
where:
Base-Base interactions energy: -166.860
where: short stacking energy: -76.553
Base-Backbone interact. energy: -0.629
local terms energy: -85.779598
where:
bonds (distance) C4'-P energy: -13.811
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -12.405
tors. eta vs tors. theta energy: -25.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -252.921175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.921175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.921175 (E_RNA)
where:
Base-Base interactions energy: -165.848
where: short stacking energy: -79.942
Base-Backbone interact. energy: -0.004
local terms energy: -87.069283
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -17.595
flat angles P-C4'-P energy: -10.965
tors. eta vs tors. theta energy: -28.066
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: 3, replica: 9
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -245.117013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.117013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.117013 (E_RNA)
where:
Base-Base interactions energy: -162.198
where: short stacking energy: -74.491
Base-Backbone interact. energy: 0.176
local terms energy: -83.095215
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -16.247
flat angles C4'-P-C4' energy: -19.343
flat angles P-C4'-P energy: -12.706
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: 4, replica: 4
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -208.303820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.303820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.303820 (E_RNA)
where:
Base-Base interactions energy: -129.430
where: short stacking energy: -55.812
Base-Backbone interact. energy: -0.770
local terms energy: -78.103884
where:
bonds (distance) C4'-P energy: -18.187
bonds (distance) P-C4' energy: -16.251
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -18.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -185.101110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.101110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.101110 (E_RNA)
where:
Base-Base interactions energy: -116.650
where: short stacking energy: -55.274
Base-Backbone interact. energy: -0.354
local terms energy: -68.097650
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -11.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -120.403986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.403986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.403986 (E_RNA)
where:
Base-Base interactions energy: -57.314
where: short stacking energy: -33.864
Base-Backbone interact. energy: -0.147
local terms energy: -62.943476
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -15.549
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -4.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -119.558975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.558975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.558975 (E_RNA)
where:
Base-Base interactions energy: -53.303
where: short stacking energy: -36.931
Base-Backbone interact. energy: -0.479
local terms energy: -65.776582
where:
bonds (distance) C4'-P energy: -17.067
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -8.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -97.373488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.373488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.373488 (E_RNA)
where:
Base-Base interactions energy: -40.042
where: short stacking energy: -33.254
Base-Backbone interact. energy: -0.158
local terms energy: -57.173047
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -19.274
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -6.611
tors. eta vs tors. theta energy: -4.347
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: 1
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -92.921573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.921573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.921573 (E_RNA)
where:
Base-Base interactions energy: -30.351
where: short stacking energy: -21.301
Base-Backbone interact. energy: -0.315
local terms energy: -62.255485
where:
bonds (distance) C4'-P energy: -18.060
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -9.281
flat angles P-C4'-P energy: -13.229
tors. eta vs tors. theta energy: -3.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -81.867989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.867989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.867989 (E_RNA)
where:
Base-Base interactions energy: -32.179
where: short stacking energy: -24.381
Base-Backbone interact. energy: -0.084
local terms energy: -49.605303
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -9.967
flat angles P-C4'-P energy: -6.438
tors. eta vs tors. theta energy: -3.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -255.227117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.227117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.227117 (E_RNA)
where:
Base-Base interactions energy: -162.133
where: short stacking energy: -87.162
Base-Backbone interact. energy: -0.005
local terms energy: -93.089260
where:
bonds (distance) C4'-P energy: -18.090
bonds (distance) P-C4' energy: -18.852
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -12.816
tors. eta vs tors. theta energy: -26.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -250.783335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.783335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.783335 (E_RNA)
where:
Base-Base interactions energy: -170.399
where: short stacking energy: -81.275
Base-Backbone interact. energy: -0.051
local terms energy: -80.332632
where:
bonds (distance) C4'-P energy: -17.139
bonds (distance) P-C4' energy: -16.499
flat angles C4'-P-C4' energy: -16.829
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -18.219
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: 3, replica: 6
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -257.457845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.457845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.457845 (E_RNA)
where:
Base-Base interactions energy: -169.156
where: short stacking energy: -80.259
Base-Backbone interact. energy: -0.641
local terms energy: -87.661133
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -17.850
flat angles P-C4'-P energy: -13.946
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: 4, replica: 4
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -207.745891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.745891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.745891 (E_RNA)
where:
Base-Base interactions energy: -136.178
where: short stacking energy: -54.560
Base-Backbone interact. energy: -0.648
local terms energy: -70.919352
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -16.223
flat angles C4'-P-C4' energy: -14.907
flat angles P-C4'-P energy: -10.075
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: 5, replica: 5
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -195.641021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.641021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.641021 (E_RNA)
where:
Base-Base interactions energy: -114.709
where: short stacking energy: -53.729
Base-Backbone interact. energy: -0.419
local terms energy: -80.513048
where:
bonds (distance) C4'-P energy: -18.433
bonds (distance) P-C4' energy: -19.171
flat angles C4'-P-C4' energy: -17.796
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -16.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -110.808293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.808293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.808293 (E_RNA)
where:
Base-Base interactions energy: -48.052
where: short stacking energy: -32.022
Base-Backbone interact. energy: -0.206
local terms energy: -62.550191
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -15.531
flat angles C4'-P-C4' energy: -17.915
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -5.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -86.041718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.041718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.041718 (E_RNA)
where:
Base-Base interactions energy: -27.590
where: short stacking energy: -24.790
Base-Backbone interact. energy: -0.323
local terms energy: -58.128480
where:
bonds (distance) C4'-P energy: -18.335
bonds (distance) P-C4' energy: -18.276
flat angles C4'-P-C4' energy: -8.674
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -4.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -100.921469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.921469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.921469 (E_RNA)
where:
Base-Base interactions energy: -42.226
where: short stacking energy: -30.201
Base-Backbone interact. energy: -0.158
local terms energy: -58.537606
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -20.031
flat angles P-C4'-P energy: -4.304
tors. eta vs tors. theta energy: -3.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -86.618058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.618058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.618058 (E_RNA)
where:
Base-Base interactions energy: -28.730
where: short stacking energy: -20.323
Base-Backbone interact. energy: -0.723
local terms energy: -57.164805
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -12.494
tors. eta vs tors. theta energy: 0.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -76.934464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.934464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.934464 (E_RNA)
where:
Base-Base interactions energy: -29.551
where: short stacking energy: -18.268
Base-Backbone interact. energy: 2.066
local terms energy: -49.448950
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -11.729
flat angles P-C4'-P energy: -13.944
tors. eta vs tors. theta energy: 3.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -256.592150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.592150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.592150 (E_RNA)
where:
Base-Base interactions energy: -175.214
where: short stacking energy: -67.487
Base-Backbone interact. energy: -0.028
local terms energy: -81.349861
where:
bonds (distance) C4'-P energy: -15.494
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -17.799
flat angles P-C4'-P energy: -13.498
tors. eta vs tors. theta energy: -21.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -254.551817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.551817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.551817 (E_RNA)
where:
Base-Base interactions energy: -162.706
where: short stacking energy: -78.984
Base-Backbone interact. energy: -0.008
local terms energy: -91.837456
where:
bonds (distance) C4'-P energy: -15.617
bonds (distance) P-C4' energy: -17.894
flat angles C4'-P-C4' energy: -19.859
flat angles P-C4'-P energy: -13.764
tors. eta vs tors. theta energy: -24.704
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: 4
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -209.006543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.006543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.006543 (E_RNA)
where:
Base-Base interactions energy: -123.031
where: short stacking energy: -61.160
Base-Backbone interact. energy: -1.415
local terms energy: -84.560239
where:
bonds (distance) C4'-P energy: -18.818
bonds (distance) P-C4' energy: -17.501
flat angles C4'-P-C4' energy: -16.473
flat angles P-C4'-P energy: -14.204
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: 4, replica: 6
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -236.715770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.715770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.715770 (E_RNA)
where:
Base-Base interactions energy: -155.523
where: short stacking energy: -68.811
Base-Backbone interact. energy: -0.100
local terms energy: -81.092205
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -21.063
flat angles C4'-P-C4' energy: -17.117
flat angles P-C4'-P energy: -6.455
tors. eta vs tors. theta energy: -20.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -195.905736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.905736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.905736 (E_RNA)
where:
Base-Base interactions energy: -112.624
where: short stacking energy: -58.482
Base-Backbone interact. energy: -0.098
local terms energy: -83.183655
where:
bonds (distance) C4'-P energy: -15.743
bonds (distance) P-C4' energy: -16.862
flat angles C4'-P-C4' energy: -18.966
flat angles P-C4'-P energy: -12.955
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: 6, replica: 8
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -150.024227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.024227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.024227 (E_RNA)
where:
Base-Base interactions energy: -90.394
where: short stacking energy: -46.632
Base-Backbone interact. energy: -0.143
local terms energy: -59.487394
where:
bonds (distance) C4'-P energy: -14.949
bonds (distance) P-C4' energy: -12.135
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -7.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -98.429984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.429984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.429984 (E_RNA)
where:
Base-Base interactions energy: -41.701
where: short stacking energy: -33.654
Base-Backbone interact. energy: -0.548
local terms energy: -56.180834
where:
bonds (distance) C4'-P energy: -18.334
bonds (distance) P-C4' energy: -13.596
flat angles C4'-P-C4' energy: -10.381
flat angles P-C4'-P energy: -5.163
tors. eta vs tors. theta energy: -8.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -96.695085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.695085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.695085 (E_RNA)
where:
Base-Base interactions energy: -44.721
where: short stacking energy: -33.241
Base-Backbone interact. energy: 0.940
local terms energy: -52.914469
where:
bonds (distance) C4'-P energy: -17.823
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -4.082
tors. eta vs tors. theta energy: -3.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -90.397339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.397339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.397339 (E_RNA)
where:
Base-Base interactions energy: -47.271
where: short stacking energy: -21.955
Base-Backbone interact. energy: 0.905
local terms energy: -44.031210
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -12.185
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -7.122
tors. eta vs tors. theta energy: 4.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -88.104774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.104774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.104774 (E_RNA)
where:
Base-Base interactions energy: -30.734
where: short stacking energy: -20.361
Base-Backbone interact. energy: -0.669
local terms energy: -56.702329
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -18.423
flat angles P-C4'-P energy: -9.943
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: 1, replica: 9
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -258.908972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.908972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.908972 (E_RNA)
where:
Base-Base interactions energy: -168.064
where: short stacking energy: -76.121
Base-Backbone interact. energy: -0.041
local terms energy: -90.803958
where:
bonds (distance) C4'-P energy: -18.021
bonds (distance) P-C4' energy: -17.927
flat angles C4'-P-C4' energy: -18.094
flat angles P-C4'-P energy: -14.680
tors. eta vs tors. theta energy: -22.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -256.727945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.727945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.727945 (E_RNA)
where:
Base-Base interactions energy: -165.560
where: short stacking energy: -79.370
Base-Backbone interact. energy: -0.164
local terms energy: -91.003437
where:
bonds (distance) C4'-P energy: -16.038
bonds (distance) P-C4' energy: -16.954
flat angles C4'-P-C4' energy: -17.938
flat angles P-C4'-P energy: -15.219
tors. eta vs tors. theta energy: -24.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -225.802154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.802154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.802154 (E_RNA)
where:
Base-Base interactions energy: -132.988
where: short stacking energy: -63.441
Base-Backbone interact. energy: -1.276
local terms energy: -91.538277
where:
bonds (distance) C4'-P energy: -18.322
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -20.599
flat angles P-C4'-P energy: -16.140
tors. eta vs tors. theta energy: -23.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -198.860010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.860010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.860010 (E_RNA)
where:
Base-Base interactions energy: -123.987
where: short stacking energy: -63.451
Base-Backbone interact. energy: -0.117
local terms energy: -74.755562
where:
bonds (distance) C4'-P energy: -12.500
bonds (distance) P-C4' energy: -17.475
flat angles C4'-P-C4' energy: -17.349
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: -16.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -243.410190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.410190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.410190 (E_RNA)
where:
Base-Base interactions energy: -163.937
where: short stacking energy: -66.839
Base-Backbone interact. energy: -0.014
local terms energy: -79.458582
where:
bonds (distance) C4'-P energy: -16.513
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -18.158
flat angles P-C4'-P energy: -6.394
tors. eta vs tors. theta energy: -21.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -139.807579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.807579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.807579 (E_RNA)
where:
Base-Base interactions energy: -68.770
where: short stacking energy: -42.242
Base-Backbone interact. energy: -0.553
local terms energy: -70.484117
where:
bonds (distance) C4'-P energy: -18.099
bonds (distance) P-C4' energy: -19.760
flat angles C4'-P-C4' energy: -16.732
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -5.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -104.851362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.851362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.851362 (E_RNA)
where:
Base-Base interactions energy: -41.483
where: short stacking energy: -24.578
Base-Backbone interact. energy: -0.478
local terms energy: -62.889518
where:
bonds (distance) C4'-P energy: -16.751
bonds (distance) P-C4' energy: -17.702
flat angles C4'-P-C4' energy: -14.923
flat angles P-C4'-P energy: -11.527
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: 8, replica: 10
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -93.182909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.182909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.182909 (E_RNA)
where:
Base-Base interactions energy: -35.430
where: short stacking energy: -26.603
Base-Backbone interact. energy: -1.657
local terms energy: -56.095188
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -11.590
flat angles C4'-P-C4' energy: -18.526
flat angles P-C4'-P energy: -7.689
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: 9, replica: 3
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -83.509147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.509147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.509147 (E_RNA)
where:
Base-Base interactions energy: -30.118
where: short stacking energy: -26.641
Base-Backbone interact. energy: -0.400
local terms energy: -52.991015
where:
bonds (distance) C4'-P energy: -16.356
bonds (distance) P-C4' energy: -19.979
flat angles C4'-P-C4' energy: -10.262
flat angles P-C4'-P energy: -9.608
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: 10, replica: 2
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -131.694274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.694274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.694274 (E_RNA)
where:
Base-Base interactions energy: -68.704
where: short stacking energy: -32.159
Base-Backbone interact. energy: 0.645
local terms energy: -63.635332
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -16.040
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -4.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -264.931409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.931409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.931409 (E_RNA)
where:
Base-Base interactions energy: -171.870
where: short stacking energy: -85.656
Base-Backbone interact. energy: -0.005
local terms energy: -93.056702
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -19.030
flat angles C4'-P-C4' energy: -19.361
flat angles P-C4'-P energy: -12.848
tors. eta vs tors. theta energy: -26.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -246.933774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.933774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.933774 (E_RNA)
where:
Base-Base interactions energy: -165.278
where: short stacking energy: -72.279
Base-Backbone interact. energy: -0.101
local terms energy: -81.554432
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -14.183
tors. eta vs tors. theta energy: -20.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -225.146325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.146325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.146325 (E_RNA)
where:
Base-Base interactions energy: -143.987
where: short stacking energy: -57.793
Base-Backbone interact. energy: -0.841
local terms energy: -80.318429
where:
bonds (distance) C4'-P energy: -19.362
bonds (distance) P-C4' energy: -12.947
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -19.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -206.743404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.743404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.743404 (E_RNA)
where:
Base-Base interactions energy: -131.678
where: short stacking energy: -62.369
Base-Backbone interact. energy: -0.320
local terms energy: -74.745876
where:
bonds (distance) C4'-P energy: -16.463
bonds (distance) P-C4' energy: -17.623
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -13.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -234.178911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.178911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.178911 (E_RNA)
where:
Base-Base interactions energy: -150.773
where: short stacking energy: -69.941
Base-Backbone interact. energy: -0.511
local terms energy: -82.895094
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -17.827
flat angles C4'-P-C4' energy: -18.697
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -19.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -145.248294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.248294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.248294 (E_RNA)
where:
Base-Base interactions energy: -84.430
where: short stacking energy: -47.937
Base-Backbone interact. energy: -0.304
local terms energy: -60.514836
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -17.223
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -7.464
tors. eta vs tors. theta energy: -9.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -96.904999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.904999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.904999 (E_RNA)
where:
Base-Base interactions energy: -37.888
where: short stacking energy: -37.574
Base-Backbone interact. energy: -1.084
local terms energy: -57.933128
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -16.714
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -5.887
tors. eta vs tors. theta energy: -6.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -83.616623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.616623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.616623 (E_RNA)
where:
Base-Base interactions energy: -38.905
where: short stacking energy: -33.839
Base-Backbone interact. energy: -0.948
local terms energy: -43.764174
where:
bonds (distance) C4'-P energy: -10.840
bonds (distance) P-C4' energy: -15.158
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -3.058
tors. eta vs tors. theta energy: -0.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -105.883437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.883437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.883437 (E_RNA)
where:
Base-Base interactions energy: -54.336
where: short stacking energy: -25.647
Base-Backbone interact. energy: -0.108
local terms energy: -51.439870
where:
bonds (distance) C4'-P energy: -17.338
bonds (distance) P-C4' energy: -18.784
flat angles C4'-P-C4' energy: -9.700
flat angles P-C4'-P energy: -7.015
tors. eta vs tors. theta energy: 1.397
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: 458
Temperature: 1.350000
Total energy: -87.972889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.972889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.972889 (E_RNA)
where:
Base-Base interactions energy: -31.074
where: short stacking energy: -23.020
Base-Backbone interact. energy: -0.246
local terms energy: -56.653677
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -3.440
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: 1, replica: 9
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -264.321089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.321089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.321089 (E_RNA)
where:
Base-Base interactions energy: -171.544
where: short stacking energy: -78.592
Base-Backbone interact. energy: -0.312
local terms energy: -92.465009
where:
bonds (distance) C4'-P energy: -16.713
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -19.031
flat angles P-C4'-P energy: -16.300
tors. eta vs tors. theta energy: -24.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -235.053103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.053103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.053103 (E_RNA)
where:
Base-Base interactions energy: -161.937
where: short stacking energy: -65.561
Base-Backbone interact. energy: -0.506
local terms energy: -72.610365
where:
bonds (distance) C4'-P energy: -10.538
bonds (distance) P-C4' energy: -17.842
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -17.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -237.766782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.766782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.766782 (E_RNA)
where:
Base-Base interactions energy: -155.592
where: short stacking energy: -72.719
Base-Backbone interact. energy: 0.678
local terms energy: -82.852552
where:
bonds (distance) C4'-P energy: -17.188
bonds (distance) P-C4' energy: -18.131
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -20.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -230.006505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.006505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.006505 (E_RNA)
where:
Base-Base interactions energy: -159.006
where: short stacking energy: -68.285
Base-Backbone interact. energy: -0.024
local terms energy: -70.976914
where:
bonds (distance) C4'-P energy: -12.042
bonds (distance) P-C4' energy: -13.658
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -13.152
tors. eta vs tors. theta energy: -17.896
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: 5
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -200.401688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.401688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.401688 (E_RNA)
where:
Base-Base interactions energy: -119.772
where: short stacking energy: -59.994
Base-Backbone interact. energy: -1.264
local terms energy: -79.365845
where:
bonds (distance) C4'-P energy: -16.859
bonds (distance) P-C4' energy: -17.378
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: -16.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -121.074098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.074098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.074098 (E_RNA)
where:
Base-Base interactions energy: -47.530
where: short stacking energy: -35.122
Base-Backbone interact. energy: -0.127
local terms energy: -73.417040
where:
bonds (distance) C4'-P energy: -17.220
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -12.513
tors. eta vs tors. theta energy: -10.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -90.968373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.968373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.968373 (E_RNA)
where:
Base-Base interactions energy: -34.123
where: short stacking energy: -26.909
Base-Backbone interact. energy: -0.067
local terms energy: -56.778664
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -14.118
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -12.430
tors. eta vs tors. theta energy: -0.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -87.071985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.071985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.071985 (E_RNA)
where:
Base-Base interactions energy: -26.305
where: short stacking energy: -26.305
Base-Backbone interact. energy: -0.108
local terms energy: -60.658954
where:
bonds (distance) C4'-P energy: -11.834
bonds (distance) P-C4' energy: -17.128
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -13.736
tors. eta vs tors. theta energy: -2.043
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: 2
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -91.690975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.690975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.690975 (E_RNA)
where:
Base-Base interactions energy: -39.464
where: short stacking energy: -19.225
Base-Backbone interact. energy: -0.055
local terms energy: -52.172407
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -16.327
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -9.410
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: 10, replica: 3
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -81.245260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.245260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.245260 (E_RNA)
where:
Base-Base interactions energy: -29.777
where: short stacking energy: -20.538
Base-Backbone interact. energy: -0.031
local terms energy: -51.437410
where:
bonds (distance) C4'-P energy: -12.769
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -11.236
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -2.601
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: 9
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -263.744793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.744793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.744793 (E_RNA)
where:
Base-Base interactions energy: -166.265
where: short stacking energy: -85.157
Base-Backbone interact. energy: -0.018
local terms energy: -97.460998
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -20.849
flat angles C4'-P-C4' energy: -18.489
flat angles P-C4'-P energy: -15.562
tors. eta vs tors. theta energy: -26.546
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: 4
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -223.082699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.082699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.082699 (E_RNA)
where:
Base-Base interactions energy: -143.789
where: short stacking energy: -60.082
Base-Backbone interact. energy: -1.121
local terms energy: -78.172513
where:
bonds (distance) C4'-P energy: -16.313
bonds (distance) P-C4' energy: -18.986
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -15.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -246.374503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.374503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.374503 (E_RNA)
where:
Base-Base interactions energy: -157.849
where: short stacking energy: -80.586
Base-Backbone interact. energy: -0.004
local terms energy: -88.521359
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -19.105
flat angles C4'-P-C4' energy: -19.883
flat angles P-C4'-P energy: -12.731
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: 4, replica: 7
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -238.865265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.865265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.865265 (E_RNA)
where:
Base-Base interactions energy: -154.987
where: short stacking energy: -80.168
Base-Backbone interact. energy: -0.053
local terms energy: -83.825750
where:
bonds (distance) C4'-P energy: -16.930
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -19.240
flat angles P-C4'-P energy: -11.743
tors. eta vs tors. theta energy: -20.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -195.003609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.003609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.003609 (E_RNA)
where:
Base-Base interactions energy: -118.248
where: short stacking energy: -62.480
Base-Backbone interact. energy: -0.154
local terms energy: -76.601453
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -17.644
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -17.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -108.267462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.267462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.267462 (E_RNA)
where:
Base-Base interactions energy: -42.554
where: short stacking energy: -30.500
Base-Backbone interact. energy: -0.196
local terms energy: -65.517264
where:
bonds (distance) C4'-P energy: -18.127
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -12.588
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -7.536
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: 460
Temperature: 1.200000
Total energy: -94.066773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.066773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.066773 (E_RNA)
where:
Base-Base interactions energy: -40.068
where: short stacking energy: -27.855
Base-Backbone interact. energy: -0.441
local terms energy: -53.557736
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -15.866
flat angles C4'-P-C4' energy: -17.591
flat angles P-C4'-P energy: -6.232
tors. eta vs tors. theta energy: 1.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -106.780804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.780804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.780804 (E_RNA)
where:
Base-Base interactions energy: -52.753
where: short stacking energy: -39.854
Base-Backbone interact. energy: -0.112
local terms energy: -53.915734
where:
bonds (distance) C4'-P energy: -9.578
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -13.910
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -5.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -90.959780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.959780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.959780 (E_RNA)
where:
Base-Base interactions energy: -39.462
where: short stacking energy: -38.455
Base-Backbone interact. energy: -0.140
local terms energy: -51.357778
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -7.006
flat angles C4'-P-C4' energy: -16.397
flat angles P-C4'-P energy: -10.608
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: 10, replica: 3
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -83.949604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.949604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.949604 (E_RNA)
where:
Base-Base interactions energy: -38.790
where: short stacking energy: -30.149
Base-Backbone interact. energy: -0.152
local terms energy: -45.007519
where:
bonds (distance) C4'-P energy: -11.265
bonds (distance) P-C4' energy: -16.745
flat angles C4'-P-C4' energy: -6.381
flat angles P-C4'-P energy: -1.175
tors. eta vs tors. theta energy: -9.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -265.422613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.422613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.422613 (E_RNA)
where:
Base-Base interactions energy: -172.079
where: short stacking energy: -89.967
Base-Backbone interact. energy: -0.006
local terms energy: -93.336880
where:
bonds (distance) C4'-P energy: -12.150
bonds (distance) P-C4' energy: -18.958
flat angles C4'-P-C4' energy: -20.571
flat angles P-C4'-P energy: -14.322
tors. eta vs tors. theta energy: -27.337
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: 6
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -243.996428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.996428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.996428 (E_RNA)
where:
Base-Base interactions energy: -156.319
where: short stacking energy: -72.736
Base-Backbone interact. energy: 0.848
local terms energy: -88.524828
where:
bonds (distance) C4'-P energy: -20.756
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -19.541
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -21.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -221.420388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.420388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.420388 (E_RNA)
where:
Base-Base interactions energy: -149.343
where: short stacking energy: -57.335
Base-Backbone interact. energy: -0.468
local terms energy: -71.609704
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -12.294
flat angles C4'-P-C4' energy: -18.629
flat angles P-C4'-P energy: -8.285
tors. eta vs tors. theta energy: -17.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -243.868856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.868856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.868856 (E_RNA)
where:
Base-Base interactions energy: -154.797
where: short stacking energy: -71.930
Base-Backbone interact. energy: -0.103
local terms energy: -88.969507
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -19.170
flat angles P-C4'-P energy: -12.362
tors. eta vs tors. theta energy: -24.562
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: 5
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -181.584504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.584504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.584504 (E_RNA)
where:
Base-Base interactions energy: -104.467
where: short stacking energy: -53.487
Base-Backbone interact. energy: -0.108
local terms energy: -77.009927
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -19.176
flat angles C4'-P-C4' energy: -17.769
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: -15.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -135.986083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.986083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.986083 (E_RNA)
where:
Base-Base interactions energy: -79.260
where: short stacking energy: -39.068
Base-Backbone interact. energy: -0.163
local terms energy: -56.563057
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -6.680
tors. eta vs tors. theta energy: -5.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -103.172921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.172921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.172921 (E_RNA)
where:
Base-Base interactions energy: -41.167
where: short stacking energy: -39.586
Base-Backbone interact. energy: -0.081
local terms energy: -61.924540
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -15.673
flat angles C4'-P-C4' energy: -18.259
flat angles P-C4'-P energy: -12.431
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: 8, replica: 10
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -90.943181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.943181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.943181 (E_RNA)
where:
Base-Base interactions energy: -33.190
where: short stacking energy: -33.190
Base-Backbone interact. energy: -0.020
local terms energy: -57.732598
where:
bonds (distance) C4'-P energy: -17.072
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -8.390
flat angles P-C4'-P energy: -10.660
tors. eta vs tors. theta energy: -4.337
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: 2
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -83.299960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.299960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.299960 (E_RNA)
where:
Base-Base interactions energy: -30.067
where: short stacking energy: -28.267
Base-Backbone interact. energy: -0.014
local terms energy: -53.218192
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -15.810
flat angles C4'-P-C4' energy: -8.618
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -6.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -80.779618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.779618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.779618 (E_RNA)
where:
Base-Base interactions energy: -26.885
where: short stacking energy: -24.111
Base-Backbone interact. energy: -0.302
local terms energy: -53.593322
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -10.303
tors. eta vs tors. theta energy: -0.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -261.461962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.461962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.461962 (E_RNA)
where:
Base-Base interactions energy: -167.394
where: short stacking energy: -85.154
Base-Backbone interact. energy: 0.273
local terms energy: -94.341415
where:
bonds (distance) C4'-P energy: -17.770
bonds (distance) P-C4' energy: -17.833
flat angles C4'-P-C4' energy: -19.195
flat angles P-C4'-P energy: -13.384
tors. eta vs tors. theta energy: -26.160
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: 6
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -244.853328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.853328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.853328 (E_RNA)
where:
Base-Base interactions energy: -157.800
where: short stacking energy: -68.453
Base-Backbone interact. energy: -0.005
local terms energy: -87.048510
where:
bonds (distance) C4'-P energy: -16.327
bonds (distance) P-C4' energy: -21.138
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -12.109
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: 3, replica: 7
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -239.502600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.502600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.502600 (E_RNA)
where:
Base-Base interactions energy: -156.055
where: short stacking energy: -74.520
Base-Backbone interact. energy: -0.130
local terms energy: -83.317155
where:
bonds (distance) C4'-P energy: -12.077
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -18.841
flat angles P-C4'-P energy: -14.094
tors. eta vs tors. theta energy: -21.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -216.571842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.571842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.571842 (E_RNA)
where:
Base-Base interactions energy: -141.237
where: short stacking energy: -60.798
Base-Backbone interact. energy: -0.328
local terms energy: -75.007579
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -18.973
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -12.185
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: 5
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -200.667624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.667624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.667624 (E_RNA)
where:
Base-Base interactions energy: -117.373
where: short stacking energy: -58.773
Base-Backbone interact. energy: -0.070
local terms energy: -83.224618
where:
bonds (distance) C4'-P energy: -16.083
bonds (distance) P-C4' energy: -19.951
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -21.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -147.884560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.884560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.884560 (E_RNA)
where:
Base-Base interactions energy: -88.050
where: short stacking energy: -35.458
Base-Backbone interact. energy: -0.483
local terms energy: -59.352392
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -17.633
flat angles P-C4'-P energy: -4.090
tors. eta vs tors. theta energy: -7.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -105.180324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.180324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.180324 (E_RNA)
where:
Base-Base interactions energy: -44.239
where: short stacking energy: -40.529
Base-Backbone interact. energy: -0.051
local terms energy: -60.891162
where:
bonds (distance) C4'-P energy: -10.241
bonds (distance) P-C4' energy: -12.211
flat angles C4'-P-C4' energy: -20.002
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: -6.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -125.860536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.860536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.860536 (E_RNA)
where:
Base-Base interactions energy: -56.967
where: short stacking energy: -46.776
Base-Backbone interact. energy: -0.100
local terms energy: -68.793509
where:
bonds (distance) C4'-P energy: -18.293
bonds (distance) P-C4' energy: -13.325
flat angles C4'-P-C4' energy: -12.921
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -11.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -90.841878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.841878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.841878 (E_RNA)
where:
Base-Base interactions energy: -35.279
where: short stacking energy: -33.224
Base-Backbone interact. energy: 0.770
local terms energy: -56.332613
where:
bonds (distance) C4'-P energy: -11.951
bonds (distance) P-C4' energy: -16.902
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -1.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -84.892856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.892856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.892856 (E_RNA)
where:
Base-Base interactions energy: -25.945
where: short stacking energy: -20.987
Base-Backbone interact. energy: -0.114
local terms energy: -58.834503
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -18.199
flat angles C4'-P-C4' energy: -10.823
flat angles P-C4'-P energy: -8.289
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: 9
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -257.375126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.375126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.375126 (E_RNA)
where:
Base-Base interactions energy: -167.287
where: short stacking energy: -80.147
Base-Backbone interact. energy: -0.095
local terms energy: -89.992912
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -14.820
tors. eta vs tors. theta energy: -27.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -243.670470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.670470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.670470 (E_RNA)
where:
Base-Base interactions energy: -156.617
where: short stacking energy: -74.603
Base-Backbone interact. energy: -0.180
local terms energy: -86.873129
where:
bonds (distance) C4'-P energy: -15.405
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -19.739
flat angles P-C4'-P energy: -13.154
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: 3, replica: 6
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -246.064414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.064414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.064414 (E_RNA)
where:
Base-Base interactions energy: -162.478
where: short stacking energy: -74.659
Base-Backbone interact. energy: -0.016
local terms energy: -83.570401
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -19.542
flat angles C4'-P-C4' energy: -16.581
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: -22.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -220.999439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.999439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.999439 (E_RNA)
where:
Base-Base interactions energy: -147.487
where: short stacking energy: -66.505
Base-Backbone interact. energy: -0.536
local terms energy: -72.975897
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -17.779
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: -18.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -202.350676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.350676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.350676 (E_RNA)
where:
Base-Base interactions energy: -127.048
where: short stacking energy: -65.782
Base-Backbone interact. energy: -0.767
local terms energy: -74.536349
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -12.175
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -19.859
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: 463
Temperature: 1.150000
Total energy: -96.046269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.046269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.046269 (E_RNA)
where:
Base-Base interactions energy: -33.980
where: short stacking energy: -28.712
Base-Backbone interact. energy: -1.083
local terms energy: -60.983952
where:
bonds (distance) C4'-P energy: -17.170
bonds (distance) P-C4' energy: -18.171
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -1.131
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: 7, replica: 8
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -86.044365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.044365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.044365 (E_RNA)
where:
Base-Base interactions energy: -28.040
where: short stacking energy: -26.698
Base-Backbone interact. energy: -0.017
local terms energy: -57.987340
where:
bonds (distance) C4'-P energy: -17.070
bonds (distance) P-C4' energy: -15.412
flat angles C4'-P-C4' energy: -20.376
flat angles P-C4'-P energy: -4.137
tors. eta vs tors. theta energy: -0.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -80.249548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.249548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.249548 (E_RNA)
where:
Base-Base interactions energy: -31.706
where: short stacking energy: -28.332
Base-Backbone interact. energy: -0.218
local terms energy: -48.325440
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -15.510
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -4.636
tors. eta vs tors. theta energy: 2.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -91.930500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.930500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.930500 (E_RNA)
where:
Base-Base interactions energy: -28.111
where: short stacking energy: -21.696
Base-Backbone interact. energy: -0.059
local terms energy: -63.761013
where:
bonds (distance) C4'-P energy: -18.297
bonds (distance) P-C4' energy: -17.847
flat angles C4'-P-C4' energy: -12.835
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -4.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -85.338401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.338401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.338401 (E_RNA)
where:
Base-Base interactions energy: -30.663
where: short stacking energy: -30.663
Base-Backbone interact. energy: 1.054
local terms energy: -55.729971
where:
bonds (distance) C4'-P energy: -12.537
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -17.513
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -2.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -258.849753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.849753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.849753 (E_RNA)
where:
Base-Base interactions energy: -160.213
where: short stacking energy: -79.504
Base-Backbone interact. energy: -0.048
local terms energy: -98.588884
where:
bonds (distance) C4'-P energy: -19.708
bonds (distance) P-C4' energy: -18.096
flat angles C4'-P-C4' energy: -19.579
flat angles P-C4'-P energy: -15.651
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: 2, replica: 7
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -247.652134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.652134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.652134 (E_RNA)
where:
Base-Base interactions energy: -157.963
where: short stacking energy: -71.004
Base-Backbone interact. energy: -0.056
local terms energy: -89.632657
where:
bonds (distance) C4'-P energy: -18.922
bonds (distance) P-C4' energy: -18.915
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -14.184
tors. eta vs tors. theta energy: -22.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -250.714995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.714995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.714995 (E_RNA)
where:
Base-Base interactions energy: -166.037
where: short stacking energy: -62.528
Base-Backbone interact. energy: -0.910
local terms energy: -83.767645
where:
bonds (distance) C4'-P energy: -18.044
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -18.196
flat angles P-C4'-P energy: -14.330
tors. eta vs tors. theta energy: -16.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -218.624612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.624612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.624612 (E_RNA)
where:
Base-Base interactions energy: -141.063
where: short stacking energy: -58.222
Base-Backbone interact. energy: -0.418
local terms energy: -77.143047
where:
bonds (distance) C4'-P energy: -13.964
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -17.318
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -19.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -185.092292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.092292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.092292 (E_RNA)
where:
Base-Base interactions energy: -112.373
where: short stacking energy: -46.528
Base-Backbone interact. energy: -0.135
local terms energy: -72.583680
where:
bonds (distance) C4'-P energy: -18.657
bonds (distance) P-C4' energy: -16.486
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -8.311
tors. eta vs tors. theta energy: -12.685
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: 1
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -120.735516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.735516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.735516 (E_RNA)
where:
Base-Base interactions energy: -67.718
where: short stacking energy: -34.562
Base-Backbone interact. energy: -0.083
local terms energy: -52.935358
where:
bonds (distance) C4'-P energy: -16.021
bonds (distance) P-C4' energy: -11.915
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -5.743
tors. eta vs tors. theta energy: -4.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -92.432170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.432170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.432170 (E_RNA)
where:
Base-Base interactions energy: -28.957
where: short stacking energy: -28.957
Base-Backbone interact. energy: 0.278
local terms energy: -63.754065
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -19.070
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -15.036
tors. eta vs tors. theta energy: -2.274
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: 8, replica: 10
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -84.426094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.426094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.426094 (E_RNA)
where:
Base-Base interactions energy: -29.760
where: short stacking energy: -26.729
Base-Backbone interact. energy: -0.579
local terms energy: -54.087112
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -11.742
flat angles P-C4'-P energy: -5.734
tors. eta vs tors. theta energy: -1.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -88.568031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.568031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.568031 (E_RNA)
where:
Base-Base interactions energy: -29.780
where: short stacking energy: -21.269
Base-Backbone interact. energy: -1.235
local terms energy: -57.552565
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -14.226
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -13.338
tors. eta vs tors. theta energy: -2.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -79.673938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.673938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.673938 (E_RNA)
where:
Base-Base interactions energy: -28.218
where: short stacking energy: -27.311
Base-Backbone interact. energy: 1.246
local terms energy: -52.702238
where:
bonds (distance) C4'-P energy: -10.484
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -17.360
flat angles P-C4'-P energy: -10.138
tors. eta vs tors. theta energy: -1.033
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: 1, replica: 9
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -266.812592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.812592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.812592 (E_RNA)
where:
Base-Base interactions energy: -175.836
where: short stacking energy: -85.588
Base-Backbone interact. energy: -0.001
local terms energy: -90.976445
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -19.259
flat angles P-C4'-P energy: -15.604
tors. eta vs tors. theta energy: -24.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -249.960790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.960790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.960790 (E_RNA)
where:
Base-Base interactions energy: -159.929
where: short stacking energy: -78.454
Base-Backbone interact. energy: -0.752
local terms energy: -89.280158
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -18.103
flat angles C4'-P-C4' energy: -18.250
flat angles P-C4'-P energy: -13.971
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: 6
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -232.002991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.002991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.002991 (E_RNA)
where:
Base-Base interactions energy: -150.825
where: short stacking energy: -66.276
Base-Backbone interact. energy: -0.001
local terms energy: -81.177155
where:
bonds (distance) C4'-P energy: -19.178
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -13.079
tors. eta vs tors. theta energy: -19.807
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: 4
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -215.649951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.649951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.649951 (E_RNA)
where:
Base-Base interactions energy: -136.547
where: short stacking energy: -62.893
Base-Backbone interact. energy: -0.257
local terms energy: -78.846490
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -20.073
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -15.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -167.231932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.231932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.231932 (E_RNA)
where:
Base-Base interactions energy: -101.156
where: short stacking energy: -40.799
Base-Backbone interact. energy: -0.177
local terms energy: -65.898405
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -18.534
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -7.814
tors. eta vs tors. theta energy: -8.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -99.885915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.885915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.885915 (E_RNA)
where:
Base-Base interactions energy: -45.743
where: short stacking energy: -21.021
Base-Backbone interact. energy: -0.415
local terms energy: -53.728238
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -18.083
flat angles C4'-P-C4' energy: -18.574
flat angles P-C4'-P energy: -10.325
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: 7, replica: 1
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -118.069436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.069436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.069436 (E_RNA)
where:
Base-Base interactions energy: -58.192
where: short stacking energy: -28.193
Base-Backbone interact. energy: -0.602
local terms energy: -59.274931
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -5.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -86.462963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.462963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.462963 (E_RNA)
where:
Base-Base interactions energy: -27.060
where: short stacking energy: -25.314
Base-Backbone interact. energy: -0.247
local terms energy: -59.155501
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -17.388
flat angles P-C4'-P energy: -6.393
tors. eta vs tors. theta energy: -4.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -100.877099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.877099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.877099 (E_RNA)
where:
Base-Base interactions energy: -37.100
where: short stacking energy: -33.970
Base-Backbone interact. energy: -0.029
local terms energy: -63.748231
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -17.508
flat angles P-C4'-P energy: -11.093
tors. eta vs tors. theta energy: -4.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -83.600717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.600717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.600717 (E_RNA)
where:
Base-Base interactions energy: -30.118
where: short stacking energy: -25.167
Base-Backbone interact. energy: -0.427
local terms energy: -53.055847
where:
bonds (distance) C4'-P energy: -17.386
bonds (distance) P-C4' energy: -15.766
flat angles C4'-P-C4' energy: -11.267
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: 2.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -256.843953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.843953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.843953 (E_RNA)
where:
Base-Base interactions energy: -166.142
where: short stacking energy: -79.152
Base-Backbone interact. energy: -0.043
local terms energy: -90.658278
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -18.598
flat angles C4'-P-C4' energy: -18.003
flat angles P-C4'-P energy: -13.204
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: 466
Temperature: 0.950000
Total energy: -262.612055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.612055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.612055 (E_RNA)
where:
Base-Base interactions energy: -168.916
where: short stacking energy: -81.282
Base-Backbone interact. energy: -0.114
local terms energy: -93.582025
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -17.612
flat angles C4'-P-C4' energy: -19.308
flat angles P-C4'-P energy: -13.876
tors. eta vs tors. theta energy: -26.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -217.207931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.207931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.207931 (E_RNA)
where:
Base-Base interactions energy: -145.137
where: short stacking energy: -53.929
Base-Backbone interact. energy: -0.384
local terms energy: -71.687096
where:
bonds (distance) C4'-P energy: -15.867
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -6.845
tors. eta vs tors. theta energy: -15.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -245.178615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.178615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.178615 (E_RNA)
where:
Base-Base interactions energy: -161.426
where: short stacking energy: -76.192
Base-Backbone interact. energy: -0.134
local terms energy: -83.618655
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -13.409
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: 5, replica: 5
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -190.300039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.300039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.300039 (E_RNA)
where:
Base-Base interactions energy: -117.764
where: short stacking energy: -53.528
Base-Backbone interact. energy: -0.561
local terms energy: -71.975061
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -16.647
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -16.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -95.292060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.292060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.292060 (E_RNA)
where:
Base-Base interactions energy: -36.776
where: short stacking energy: -36.776
Base-Backbone interact. energy: -0.055
local terms energy: -58.461533
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -11.353
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: -6.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -94.971128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.971128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.971128 (E_RNA)
where:
Base-Base interactions energy: -38.870
where: short stacking energy: -38.870
Base-Backbone interact. energy: 1.706
local terms energy: -57.806937
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -17.558
flat angles C4'-P-C4' energy: -7.717
flat angles P-C4'-P energy: -11.326
tors. eta vs tors. theta energy: -6.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -90.861601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.861601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.861601 (E_RNA)
where:
Base-Base interactions energy: -35.612
where: short stacking energy: -32.527
Base-Backbone interact. energy: -0.547
local terms energy: -54.702522
where:
bonds (distance) C4'-P energy: -15.751
bonds (distance) P-C4' energy: -15.031
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -0.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -84.578377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.578377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.578377 (E_RNA)
where:
Base-Base interactions energy: -23.683
where: short stacking energy: -17.998
Base-Backbone interact. energy: -0.012
local terms energy: -60.883594
where:
bonds (distance) C4'-P energy: -17.584
bonds (distance) P-C4' energy: -16.928
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -7.336
tors. eta vs tors. theta energy: -3.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -90.029203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.029203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.029203 (E_RNA)
where:
Base-Base interactions energy: -40.402
where: short stacking energy: -19.798
Base-Backbone interact. energy: -0.543
local terms energy: -49.083876
where:
bonds (distance) C4'-P energy: -17.233
bonds (distance) P-C4' energy: -13.644
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -6.201
tors. eta vs tors. theta energy: 3.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -253.836758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.836758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.836758 (E_RNA)
where:
Base-Base interactions energy: -166.993
where: short stacking energy: -68.892
Base-Backbone interact. energy: -0.033
local terms energy: -86.810393
where:
bonds (distance) C4'-P energy: -16.106
bonds (distance) P-C4' energy: -16.595
flat angles C4'-P-C4' energy: -18.283
flat angles P-C4'-P energy: -15.513
tors. eta vs tors. theta energy: -20.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -257.995193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.995193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.995193 (E_RNA)
where:
Base-Base interactions energy: -171.270
where: short stacking energy: -76.907
Base-Backbone interact. energy: -0.003
local terms energy: -86.721971
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -18.657
flat angles C4'-P-C4' energy: -19.147
flat angles P-C4'-P energy: -12.102
tors. eta vs tors. theta energy: -24.191
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: 3, replica: 4
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -235.137288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.137288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.137288 (E_RNA)
where:
Base-Base interactions energy: -151.673
where: short stacking energy: -63.509
Base-Backbone interact. energy: -0.857
local terms energy: -82.607168
where:
bonds (distance) C4'-P energy: -15.491
bonds (distance) P-C4' energy: -19.185
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -21.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -205.840515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.840515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.840515 (E_RNA)
where:
Base-Base interactions energy: -132.792
where: short stacking energy: -67.324
Base-Backbone interact. energy: -0.006
local terms energy: -73.042801
where:
bonds (distance) C4'-P energy: -16.852
bonds (distance) P-C4' energy: -8.068
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -13.455
tors. eta vs tors. theta energy: -21.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -223.031270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.031270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.031270 (E_RNA)
where:
Base-Base interactions energy: -142.560
where: short stacking energy: -62.315
Base-Backbone interact. energy: -0.103
local terms energy: -80.368415
where:
bonds (distance) C4'-P energy: -16.104
bonds (distance) P-C4' energy: -18.064
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -16.471
tors. eta vs tors. theta energy: -16.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -135.133780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.133780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.133780 (E_RNA)
where:
Base-Base interactions energy: -72.455
where: short stacking energy: -42.102
Base-Backbone interact. energy: -0.094
local terms energy: -62.584836
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -12.440
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -10.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -94.199283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.199283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.199283 (E_RNA)
where:
Base-Base interactions energy: -40.106
where: short stacking energy: -31.409
Base-Backbone interact. energy: -0.138
local terms energy: -53.955547
where:
bonds (distance) C4'-P energy: -15.716
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -7.537
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: 8, replica: 3
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -92.598811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.598811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.598811 (E_RNA)
where:
Base-Base interactions energy: -34.691
where: short stacking energy: -25.826
Base-Backbone interact. energy: -0.154
local terms energy: -57.754293
where:
bonds (distance) C4'-P energy: -12.449
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -13.032
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -5.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -89.324080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.324080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.324080 (E_RNA)
where:
Base-Base interactions energy: -34.543
where: short stacking energy: -29.267
Base-Backbone interact. energy: -0.147
local terms energy: -54.633258
where:
bonds (distance) C4'-P energy: -14.734
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -8.263
tors. eta vs tors. theta energy: -2.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -87.784766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.784766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.784766 (E_RNA)
where:
Base-Base interactions energy: -29.596
where: short stacking energy: -24.008
Base-Backbone interact. energy: -0.080
local terms energy: -58.108471
where:
bonds (distance) C4'-P energy: -18.341
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -3.948
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: 9
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -255.175448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.175448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.175448 (E_RNA)
where:
Base-Base interactions energy: -165.400
where: short stacking energy: -79.525
Base-Backbone interact. energy: -0.000
local terms energy: -89.775451
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -17.258
flat angles C4'-P-C4' energy: -20.378
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -22.980
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: 7
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -251.134174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.134174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.134174 (E_RNA)
where:
Base-Base interactions energy: -154.788
where: short stacking energy: -76.891
Base-Backbone interact. energy: -0.001
local terms energy: -96.345473
where:
bonds (distance) C4'-P energy: -17.361
bonds (distance) P-C4' energy: -19.111
flat angles C4'-P-C4' energy: -19.985
flat angles P-C4'-P energy: -13.869
tors. eta vs tors. theta energy: -26.019
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: 468
Temperature: 1.000000
Total energy: -219.950447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.950447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.950447 (E_RNA)
where:
Base-Base interactions energy: -143.016
where: short stacking energy: -63.867
Base-Backbone interact. energy: 0.141
local terms energy: -77.075455
where:
bonds (distance) C4'-P energy: -9.956
bonds (distance) P-C4' energy: -17.493
flat angles C4'-P-C4' energy: -17.249
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -20.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -190.460843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.460843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.460843 (E_RNA)
where:
Base-Base interactions energy: -113.156
where: short stacking energy: -57.413
Base-Backbone interact. energy: -0.033
local terms energy: -77.271404
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -19.251
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: -16.127
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: 5, replica: 6
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -230.001555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.001555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.001555 (E_RNA)
where:
Base-Base interactions energy: -155.400
where: short stacking energy: -73.143
Base-Backbone interact. energy: -0.000
local terms energy: -74.601448
where:
bonds (distance) C4'-P energy: -10.373
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -22.304
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: 10
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -99.579459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.579459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.579459 (E_RNA)
where:
Base-Base interactions energy: -33.722
where: short stacking energy: -31.365
Base-Backbone interact. energy: -0.302
local terms energy: -65.555463
where:
bonds (distance) C4'-P energy: -16.377
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -16.647
flat angles P-C4'-P energy: -12.605
tors. eta vs tors. theta energy: -4.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -98.653129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.653129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.653129 (E_RNA)
where:
Base-Base interactions energy: -43.511
where: short stacking energy: -30.607
Base-Backbone interact. energy: -0.185
local terms energy: -54.957539
where:
bonds (distance) C4'-P energy: -19.663
bonds (distance) P-C4' energy: -10.917
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -5.319
tors. eta vs tors. theta energy: -3.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -107.052509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.052509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.052509 (E_RNA)
where:
Base-Base interactions energy: -44.788
where: short stacking energy: -34.462
Base-Backbone interact. energy: -0.876
local terms energy: -61.389043
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -13.156
tors. eta vs tors. theta energy: -1.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -86.573971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.573971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.573971 (E_RNA)
where:
Base-Base interactions energy: -43.192
where: short stacking energy: -21.082
Base-Backbone interact. energy: -0.334
local terms energy: -43.048189
where:
bonds (distance) C4'-P energy: -15.512
bonds (distance) P-C4' energy: -16.726
flat angles C4'-P-C4' energy: -5.351
flat angles P-C4'-P energy: -9.640
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: 10, replica: 2
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -90.355715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.355715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.355715 (E_RNA)
where:
Base-Base interactions energy: -35.443
where: short stacking energy: -34.705
Base-Backbone interact. energy: 0.162
local terms energy: -55.074083
where:
bonds (distance) C4'-P energy: -10.767
bonds (distance) P-C4' energy: -16.699
flat angles C4'-P-C4' energy: -11.293
flat angles P-C4'-P energy: -6.973
tors. eta vs tors. theta energy: -9.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -253.338103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.338103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.338103 (E_RNA)
where:
Base-Base interactions energy: -161.288
where: short stacking energy: -81.593
Base-Backbone interact. energy: 1.025
local terms energy: -93.075350
where:
bonds (distance) C4'-P energy: -18.387
bonds (distance) P-C4' energy: -19.135
flat angles C4'-P-C4' energy: -17.512
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -26.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -259.655648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.655648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.655648 (E_RNA)
where:
Base-Base interactions energy: -170.370
where: short stacking energy: -82.749
Base-Backbone interact. energy: -1.353
local terms energy: -87.932999
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -12.916
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -14.380
tors. eta vs tors. theta energy: -27.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -223.509438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.509438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.509438 (E_RNA)
where:
Base-Base interactions energy: -148.067
where: short stacking energy: -65.813
Base-Backbone interact. energy: -0.339
local terms energy: -75.102545
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -18.949
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -18.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -226.412083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.412083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.412083 (E_RNA)
where:
Base-Base interactions energy: -151.003
where: short stacking energy: -72.210
Base-Backbone interact. energy: -0.008
local terms energy: -75.400979
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -12.866
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -11.225
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: 5
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -182.731253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.731253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.731253 (E_RNA)
where:
Base-Base interactions energy: -113.251
where: short stacking energy: -55.149
Base-Backbone interact. energy: 0.806
local terms energy: -70.285929
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: -14.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -101.407122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.407122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.407122 (E_RNA)
where:
Base-Base interactions energy: -49.315
where: short stacking energy: -37.504
Base-Backbone interact. energy: 0.109
local terms energy: -52.201127
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -16.906
flat angles C4'-P-C4' energy: -9.798
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: -1.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -99.834297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.834297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.834297 (E_RNA)
where:
Base-Base interactions energy: -40.445
where: short stacking energy: -30.507
Base-Backbone interact. energy: -0.402
local terms energy: -58.987401
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -16.621
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: -1.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -85.568924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.568924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.568924 (E_RNA)
where:
Base-Base interactions energy: -43.907
where: short stacking energy: -20.340
Base-Backbone interact. energy: -0.639
local terms energy: -41.022969
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -8.168
flat angles P-C4'-P energy: -5.569
tors. eta vs tors. theta energy: 2.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -86.993726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.993726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.993726 (E_RNA)
where:
Base-Base interactions energy: -28.430
where: short stacking energy: -28.430
Base-Backbone interact. energy: -0.096
local terms energy: -58.467521
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -3.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -82.067204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.067204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.067204 (E_RNA)
where:
Base-Base interactions energy: -31.740
where: short stacking energy: -22.797
Base-Backbone interact. energy: 0.522
local terms energy: -50.850054
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -4.654
tors. eta vs tors. theta energy: -3.781
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: 7
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -265.660630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.660630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.660630 (E_RNA)
where:
Base-Base interactions energy: -170.899
where: short stacking energy: -82.767
Base-Backbone interact. energy: -0.035
local terms energy: -94.726696
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -20.156
flat angles P-C4'-P energy: -14.736
tors. eta vs tors. theta energy: -25.837
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: 9
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -249.454000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.454000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.454000 (E_RNA)
where:
Base-Base interactions energy: -163.961
where: short stacking energy: -79.905
Base-Backbone interact. energy: -0.000
local terms energy: -85.492812
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -13.390
tors. eta vs tors. theta energy: -25.255
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: 470
Temperature: 1.000000
Total energy: -243.373539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.373539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.373539 (E_RNA)
where:
Base-Base interactions energy: -158.471
where: short stacking energy: -73.899
Base-Backbone interact. energy: -0.077
local terms energy: -84.825032
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -19.802
flat angles P-C4'-P energy: -12.841
tors. eta vs tors. theta energy: -21.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -215.125776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.125776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.125776 (E_RNA)
where:
Base-Base interactions energy: -139.070
where: short stacking energy: -60.626
Base-Backbone interact. energy: -2.016
local terms energy: -74.039898
where:
bonds (distance) C4'-P energy: -18.358
bonds (distance) P-C4' energy: -15.979
flat angles C4'-P-C4' energy: -15.295
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -15.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -194.633415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.633415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.633415 (E_RNA)
where:
Base-Base interactions energy: -120.117
where: short stacking energy: -53.900
Base-Backbone interact. energy: -1.055
local terms energy: -73.460956
where:
bonds (distance) C4'-P energy: -17.957
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -17.457
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: 3
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -126.431352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.431352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.431352 (E_RNA)
where:
Base-Base interactions energy: -57.218
where: short stacking energy: -47.508
Base-Backbone interact. energy: -0.123
local terms energy: -69.090636
where:
bonds (distance) C4'-P energy: -14.135
bonds (distance) P-C4' energy: -20.022
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -12.703
tors. eta vs tors. theta energy: -7.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -93.144050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.144050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.144050 (E_RNA)
where:
Base-Base interactions energy: -37.414
where: short stacking energy: -34.073
Base-Backbone interact. energy: -0.146
local terms energy: -55.584272
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -13.340
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -9.299
tors. eta vs tors. theta energy: -6.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -96.675103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.675103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.675103 (E_RNA)
where:
Base-Base interactions energy: -41.932
where: short stacking energy: -31.721
Base-Backbone interact. energy: -0.217
local terms energy: -54.525916
where:
bonds (distance) C4'-P energy: -17.021
bonds (distance) P-C4' energy: -15.202
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -7.744
tors. eta vs tors. theta energy: -1.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -84.753479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.753479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.753479 (E_RNA)
where:
Base-Base interactions energy: -32.842
where: short stacking energy: -23.560
Base-Backbone interact. energy: -0.252
local terms energy: -51.659487
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: 1.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -79.336430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.336430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.336430 (E_RNA)
where:
Base-Base interactions energy: -20.486
where: short stacking energy: -11.537
Base-Backbone interact. energy: -0.271
local terms energy: -58.579712
where:
bonds (distance) C4'-P energy: -17.120
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -11.832
flat angles P-C4'-P energy: -10.108
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: 1, replica: 7
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -265.825544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.825544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.825544 (E_RNA)
where:
Base-Base interactions energy: -179.750
where: short stacking energy: -84.007
Base-Backbone interact. energy: -0.005
local terms energy: -86.070680
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -11.676
tors. eta vs tors. theta energy: -23.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -255.107013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.107013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.107013 (E_RNA)
where:
Base-Base interactions energy: -168.992
where: short stacking energy: -80.917
Base-Backbone interact. energy: 0.236
local terms energy: -86.350717
where:
bonds (distance) C4'-P energy: -16.977
bonds (distance) P-C4' energy: -19.069
flat angles C4'-P-C4' energy: -19.368
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -20.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -233.238133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.238133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.238133 (E_RNA)
where:
Base-Base interactions energy: -157.397
where: short stacking energy: -71.618
Base-Backbone interact. energy: -1.173
local terms energy: -74.668229
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: -21.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -205.971517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.971517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.971517 (E_RNA)
where:
Base-Base interactions energy: -127.926
where: short stacking energy: -67.037
Base-Backbone interact. energy: -0.821
local terms energy: -77.225213
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -14.615
flat angles C4'-P-C4' energy: -16.155
flat angles P-C4'-P energy: -12.112
tors. eta vs tors. theta energy: -19.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -205.217426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.217426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.217426 (E_RNA)
where:
Base-Base interactions energy: -134.532
where: short stacking energy: -53.115
Base-Backbone interact. energy: -0.103
local terms energy: -70.582186
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -20.651
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -12.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -109.379077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.379077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.379077 (E_RNA)
where:
Base-Base interactions energy: -49.202
where: short stacking energy: -45.601
Base-Backbone interact. energy: -0.162
local terms energy: -60.014748
where:
bonds (distance) C4'-P energy: -12.586
bonds (distance) P-C4' energy: -19.264
flat angles C4'-P-C4' energy: -12.277
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -5.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -103.079994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.079994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.079994 (E_RNA)
where:
Base-Base interactions energy: -46.638
where: short stacking energy: -32.783
Base-Backbone interact. energy: -0.117
local terms energy: -56.325268
where:
bonds (distance) C4'-P energy: -14.932
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -15.768
flat angles P-C4'-P energy: -7.642
tors. eta vs tors. theta energy: -1.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -91.167157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.167157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.167157 (E_RNA)
where:
Base-Base interactions energy: -37.700
where: short stacking energy: -33.596
Base-Backbone interact. energy: -0.013
local terms energy: -53.454551
where:
bonds (distance) C4'-P energy: -17.042
bonds (distance) P-C4' energy: -18.076
flat angles C4'-P-C4' energy: -12.567
flat angles P-C4'-P energy: -2.623
tors. eta vs tors. theta energy: -3.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -82.744103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.744103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.744103 (E_RNA)
where:
Base-Base interactions energy: -36.646
where: short stacking energy: -26.816
Base-Backbone interact. energy: -0.439
local terms energy: -45.659235
where:
bonds (distance) C4'-P energy: -9.019
bonds (distance) P-C4' energy: -10.764
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -6.913
tors. eta vs tors. theta energy: -4.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -83.831143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.831143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.831143 (E_RNA)
where:
Base-Base interactions energy: -30.409
where: short stacking energy: -27.637
Base-Backbone interact. energy: 1.576
local terms energy: -54.997879
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -5.862
tors. eta vs tors. theta energy: -0.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -268.394337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.394337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.394337 (E_RNA)
where:
Base-Base interactions energy: -173.132
where: short stacking energy: -87.441
Base-Backbone interact. energy: -0.005
local terms energy: -95.257285
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -15.904
flat angles C4'-P-C4' energy: -20.356
flat angles P-C4'-P energy: -15.875
tors. eta vs tors. theta energy: -27.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -261.229548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.229548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.229548 (E_RNA)
where:
Base-Base interactions energy: -173.463
where: short stacking energy: -81.481
Base-Backbone interact. energy: 0.131
local terms energy: -87.897952
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -18.322
flat angles C4'-P-C4' energy: -16.982
flat angles P-C4'-P energy: -13.248
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: 3, replica: 6
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -250.307291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.307291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.307291 (E_RNA)
where:
Base-Base interactions energy: -160.840
where: short stacking energy: -87.375
Base-Backbone interact. energy: -0.086
local terms energy: -89.381229
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -17.161
flat angles P-C4'-P energy: -13.570
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: 5
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -194.032945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.032945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.032945 (E_RNA)
where:
Base-Base interactions energy: -114.504
where: short stacking energy: -62.280
Base-Backbone interact. energy: -0.112
local terms energy: -79.416421
where:
bonds (distance) C4'-P energy: -8.519
bonds (distance) P-C4' energy: -18.346
flat angles C4'-P-C4' energy: -18.546
flat angles P-C4'-P energy: -14.691
tors. eta vs tors. theta energy: -19.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -198.301521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.301521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.301521 (E_RNA)
where:
Base-Base interactions energy: -130.109
where: short stacking energy: -53.766
Base-Backbone interact. energy: -0.182
local terms energy: -68.010803
where:
bonds (distance) C4'-P energy: -12.775
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -7.811
tors. eta vs tors. theta energy: -19.149
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: 3
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -100.012744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.012744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.012744 (E_RNA)
where:
Base-Base interactions energy: -35.602
where: short stacking energy: -34.454
Base-Backbone interact. energy: -0.621
local terms energy: -63.789638
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -16.885
flat angles C4'-P-C4' energy: -18.439
flat angles P-C4'-P energy: -11.731
tors. eta vs tors. theta energy: -4.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -111.826501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.826501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.826501 (E_RNA)
where:
Base-Base interactions energy: -47.077
where: short stacking energy: -41.132
Base-Backbone interact. energy: -0.105
local terms energy: -64.644373
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -18.217
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -7.591
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: 8, replica: 8
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -93.019728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.019728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.019728 (E_RNA)
where:
Base-Base interactions energy: -32.342
where: short stacking energy: -31.929
Base-Backbone interact. energy: -0.083
local terms energy: -60.595409
where:
bonds (distance) C4'-P energy: -16.773
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -16.401
flat angles P-C4'-P energy: -6.962
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: 1
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -89.576330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.576330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.576330 (E_RNA)
where:
Base-Base interactions energy: -31.914
where: short stacking energy: -29.952
Base-Backbone interact. energy: -0.050
local terms energy: -57.612123
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -11.894
flat angles P-C4'-P energy: -11.543
tors. eta vs tors. theta energy: -3.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -94.860195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.860195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.860195 (E_RNA)
where:
Base-Base interactions energy: -35.608
where: short stacking energy: -35.608
Base-Backbone interact. energy: -0.169
local terms energy: -59.083505
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -19.337
flat angles C4'-P-C4' energy: -12.028
flat angles P-C4'-P energy: -6.195
tors. eta vs tors. theta energy: -6.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -261.001974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.001974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.001974 (E_RNA)
where:
Base-Base interactions energy: -170.799
where: short stacking energy: -86.611
Base-Backbone interact. energy: -0.561
local terms energy: -89.642074
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -17.822
flat angles C4'-P-C4' energy: -18.173
flat angles P-C4'-P energy: -12.131
tors. eta vs tors. theta energy: -25.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -265.195906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.195906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.195906 (E_RNA)
where:
Base-Base interactions energy: -176.917
where: short stacking energy: -75.349
Base-Backbone interact. energy: -1.712
local terms energy: -86.566990
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -17.663
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -12.477
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: 3, replica: 9
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -248.777655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.777655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.777655 (E_RNA)
where:
Base-Base interactions energy: -159.717
where: short stacking energy: -80.323
Base-Backbone interact. energy: 0.603
local terms energy: -89.663703
where:
bonds (distance) C4'-P energy: -17.337
bonds (distance) P-C4' energy: -15.791
flat angles C4'-P-C4' energy: -18.158
flat angles P-C4'-P energy: -13.737
tors. eta vs tors. theta energy: -24.641
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: 4, replica: 5
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -188.612011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.612011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.612011 (E_RNA)
where:
Base-Base interactions energy: -118.314
where: short stacking energy: -60.647
Base-Backbone interact. energy: -0.104
local terms energy: -70.194111
where:
bonds (distance) C4'-P energy: -16.168
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -14.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -177.213025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.213025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.213025 (E_RNA)
where:
Base-Base interactions energy: -101.566
where: short stacking energy: -36.171
Base-Backbone interact. energy: -0.178
local terms energy: -75.469111
where:
bonds (distance) C4'-P energy: -18.139
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -18.276
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: -12.304
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: 2
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -119.637579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.637579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.637579 (E_RNA)
where:
Base-Base interactions energy: -47.477
where: short stacking energy: -47.477
Base-Backbone interact. energy: -0.005
local terms energy: -72.156376
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -16.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -98.932680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.932680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.932680 (E_RNA)
where:
Base-Base interactions energy: -46.414
where: short stacking energy: -45.899
Base-Backbone interact. energy: -0.504
local terms energy: -52.014236
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -7.645
flat angles C4'-P-C4' energy: -13.450
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -5.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -92.873809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.873809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.873809 (E_RNA)
where:
Base-Base interactions energy: -33.443
where: short stacking energy: -33.443
Base-Backbone interact. energy: -0.021
local terms energy: -59.409938
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -10.973
flat angles C4'-P-C4' energy: -15.837
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -7.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -84.892243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.892243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.892243 (E_RNA)
where:
Base-Base interactions energy: -31.074
where: short stacking energy: -31.683
Base-Backbone interact. energy: -0.275
local terms energy: -53.543797
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -4.490
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: 10
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -78.068388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.068388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.068388 (E_RNA)
where:
Base-Base interactions energy: -25.571
where: short stacking energy: -25.571
Base-Backbone interact. energy: -0.433
local terms energy: -52.064177
where:
bonds (distance) C4'-P energy: -15.331
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: 0.433
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: 6
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -265.422454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.422454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.422454 (E_RNA)
where:
Base-Base interactions energy: -176.711
where: short stacking energy: -70.730
Base-Backbone interact. energy: -1.045
local terms energy: -87.666793
where:
bonds (distance) C4'-P energy: -16.194
bonds (distance) P-C4' energy: -20.505
flat angles C4'-P-C4' energy: -19.568
flat angles P-C4'-P energy: -12.390
tors. eta vs tors. theta energy: -19.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -259.745022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.745022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.745022 (E_RNA)
where:
Base-Base interactions energy: -171.157
where: short stacking energy: -70.714
Base-Backbone interact. energy: -1.172
local terms energy: -87.415481
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -19.514
flat angles C4'-P-C4' energy: -19.329
flat angles P-C4'-P energy: -13.173
tors. eta vs tors. theta energy: -18.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -249.670069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.670069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.670069 (E_RNA)
where:
Base-Base interactions energy: -162.078
where: short stacking energy: -78.308
Base-Backbone interact. energy: -0.060
local terms energy: -87.533003
where:
bonds (distance) C4'-P energy: -13.733
bonds (distance) P-C4' energy: -17.543
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -15.285
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: 4, replica: 5
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -192.866633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.866633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.866633 (E_RNA)
where:
Base-Base interactions energy: -123.307
where: short stacking energy: -52.428
Base-Backbone interact. energy: -0.063
local terms energy: -69.497047
where:
bonds (distance) C4'-P energy: -17.788
bonds (distance) P-C4' energy: -15.081
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -12.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -188.036974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.036974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.036974 (E_RNA)
where:
Base-Base interactions energy: -111.344
where: short stacking energy: -52.597
Base-Backbone interact. energy: 0.132
local terms energy: -76.824397
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -13.455
tors. eta vs tors. theta energy: -15.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -101.851932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.851932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.851932 (E_RNA)
where:
Base-Base interactions energy: -37.241
where: short stacking energy: -37.241
Base-Backbone interact. energy: -0.198
local terms energy: -64.413544
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -17.987
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -7.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -96.585806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.585806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.585806 (E_RNA)
where:
Base-Base interactions energy: -38.848
where: short stacking energy: -35.258
Base-Backbone interact. energy: 0.237
local terms energy: -57.975432
where:
bonds (distance) C4'-P energy: -11.329
bonds (distance) P-C4' energy: -15.055
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -10.886
tors. eta vs tors. theta energy: -7.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -100.296654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.296654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.296654 (E_RNA)
where:
Base-Base interactions energy: -40.428
where: short stacking energy: -39.067
Base-Backbone interact. energy: -0.342
local terms energy: -59.527338
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -19.824
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -4.023
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: 10
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -90.503279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.503279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.503279 (E_RNA)
where:
Base-Base interactions energy: -37.457
where: short stacking energy: -36.887
Base-Backbone interact. energy: -0.546
local terms energy: -52.500348
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -15.186
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: 2.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -88.097957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.097957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.097957 (E_RNA)
where:
Base-Base interactions energy: -29.395
where: short stacking energy: -28.193
Base-Backbone interact. energy: -0.049
local terms energy: -58.653775
where:
bonds (distance) C4'-P energy: -10.850
bonds (distance) P-C4' energy: -19.711
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: -1.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -270.067981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.067981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.067981 (E_RNA)
where:
Base-Base interactions energy: -179.581
where: short stacking energy: -73.296
Base-Backbone interact. energy: -0.260
local terms energy: -90.226403
where:
bonds (distance) C4'-P energy: -18.197
bonds (distance) P-C4' energy: -17.174
flat angles C4'-P-C4' energy: -20.064
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -22.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -244.555363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.555363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.555363 (E_RNA)
where:
Base-Base interactions energy: -158.376
where: short stacking energy: -76.242
Base-Backbone interact. energy: -0.001
local terms energy: -86.178782
where:
bonds (distance) C4'-P energy: -19.522
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -17.466
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -21.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -251.370412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.370412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.370412 (E_RNA)
where:
Base-Base interactions energy: -163.239
where: short stacking energy: -69.519
Base-Backbone interact. energy: -0.048
local terms energy: -88.083967
where:
bonds (distance) C4'-P energy: -17.648
bonds (distance) P-C4' energy: -18.239
flat angles C4'-P-C4' energy: -19.259
flat angles P-C4'-P energy: -12.790
tors. eta vs tors. theta energy: -20.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -192.291050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.291050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.291050 (E_RNA)
where:
Base-Base interactions energy: -118.070
where: short stacking energy: -61.223
Base-Backbone interact. energy: -0.130
local terms energy: -74.091754
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -13.975
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -11.405
tors. eta vs tors. theta energy: -18.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -205.454393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.454393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.454393 (E_RNA)
where:
Base-Base interactions energy: -126.479
where: short stacking energy: -64.924
Base-Backbone interact. energy: 0.006
local terms energy: -78.981627
where:
bonds (distance) C4'-P energy: -18.276
bonds (distance) P-C4' energy: -13.910
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -11.095
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: 2
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -109.434758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.434758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.434758 (E_RNA)
where:
Base-Base interactions energy: -46.123
where: short stacking energy: -46.123
Base-Backbone interact. energy: -0.117
local terms energy: -63.194949
where:
bonds (distance) C4'-P energy: -11.840
bonds (distance) P-C4' energy: -17.217
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: -10.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -93.627426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.627426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.627426 (E_RNA)
where:
Base-Base interactions energy: -30.365
where: short stacking energy: -26.615
Base-Backbone interact. energy: -0.124
local terms energy: -63.138825
where:
bonds (distance) C4'-P energy: -16.708
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: -2.690
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: 3
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -101.279423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.279423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.279423 (E_RNA)
where:
Base-Base interactions energy: -49.451
where: short stacking energy: -30.705
Base-Backbone interact. energy: -1.436
local terms energy: -50.392326
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -10.746
flat angles P-C4'-P energy: -13.443
tors. eta vs tors. theta energy: 1.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -84.897750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.897750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.897750 (E_RNA)
where:
Base-Base interactions energy: -27.656
where: short stacking energy: -23.290
Base-Backbone interact. energy: 0.849
local terms energy: -58.091320
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -18.705
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -6.905
tors. eta vs tors. theta energy: -0.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -90.593239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.593239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.593239 (E_RNA)
where:
Base-Base interactions energy: -34.146
where: short stacking energy: -28.213
Base-Backbone interact. energy: -0.027
local terms energy: -56.420207
where:
bonds (distance) C4'-P energy: -13.334
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: -4.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -267.929638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.929638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.929638 (E_RNA)
where:
Base-Base interactions energy: -181.062
where: short stacking energy: -71.444
Base-Backbone interact. energy: -0.480
local terms energy: -86.388142
where:
bonds (distance) C4'-P energy: -18.251
bonds (distance) P-C4' energy: -17.428
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -12.793
tors. eta vs tors. theta energy: -21.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -249.676937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.676937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.676937 (E_RNA)
where:
Base-Base interactions energy: -163.421
where: short stacking energy: -82.936
Base-Backbone interact. energy: -0.023
local terms energy: -86.233573
where:
bonds (distance) C4'-P energy: -16.525
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -18.928
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -26.444
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: 3, replica: 7
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -250.626789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.626789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.626789 (E_RNA)
where:
Base-Base interactions energy: -168.679
where: short stacking energy: -75.466
Base-Backbone interact. energy: 1.283
local terms energy: -83.231580
where:
bonds (distance) C4'-P energy: -16.705
bonds (distance) P-C4' energy: -12.969
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -13.312
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: 4, replica: 4
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -181.897287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.897287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.897287 (E_RNA)
where:
Base-Base interactions energy: -111.924
where: short stacking energy: -59.394
Base-Backbone interact. energy: -0.168
local terms energy: -69.804853
where:
bonds (distance) C4'-P energy: -9.986
bonds (distance) P-C4' energy: -18.966
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -7.610
tors. eta vs tors. theta energy: -16.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -181.358849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.358849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.358849 (E_RNA)
where:
Base-Base interactions energy: -107.341
where: short stacking energy: -48.865
Base-Backbone interact. energy: -0.120
local terms energy: -73.897179
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -12.741
flat angles P-C4'-P energy: -14.325
tors. eta vs tors. theta energy: -14.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -93.997904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.997904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.997904 (E_RNA)
where:
Base-Base interactions energy: -38.159
where: short stacking energy: -38.159
Base-Backbone interact. energy: 0.085
local terms energy: -55.924185
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -18.556
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: 0.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -95.922760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.922760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.922760 (E_RNA)
where:
Base-Base interactions energy: -29.925
where: short stacking energy: -23.063
Base-Backbone interact. energy: -0.069
local terms energy: -65.928527
where:
bonds (distance) C4'-P energy: -19.416
bonds (distance) P-C4' energy: -16.676
flat angles C4'-P-C4' energy: -13.368
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: -5.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -92.379797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.379797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.379797 (E_RNA)
where:
Base-Base interactions energy: -32.877
where: short stacking energy: -30.822
Base-Backbone interact. energy: 0.664
local terms energy: -60.166440
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -17.827
flat angles C4'-P-C4' energy: -18.384
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -0.718
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: 1
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -103.119178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.119178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.119178 (E_RNA)
where:
Base-Base interactions energy: -38.181
where: short stacking energy: -38.181
Base-Backbone interact. energy: -0.167
local terms energy: -64.770723
where:
bonds (distance) C4'-P energy: -16.776
bonds (distance) P-C4' energy: -16.541
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -8.840
tors. eta vs tors. theta energy: -8.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -76.620858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.620858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.620858 (E_RNA)
where:
Base-Base interactions energy: -27.289
where: short stacking energy: -25.989
Base-Backbone interact. energy: -0.280
local terms energy: -49.052233
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -12.950
flat angles P-C4'-P energy: -6.410
tors. eta vs tors. theta energy: 0.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -268.671834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.671834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.671834 (E_RNA)
where:
Base-Base interactions energy: -176.956
where: short stacking energy: -71.071
Base-Backbone interact. energy: -0.610
local terms energy: -91.105504
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -18.614
flat angles P-C4'-P energy: -14.310
tors. eta vs tors. theta energy: -21.864
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: 7
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -254.106651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.106651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.106651 (E_RNA)
where:
Base-Base interactions energy: -164.633
where: short stacking energy: -78.583
Base-Backbone interact. energy: -0.571
local terms energy: -88.902564
where:
bonds (distance) C4'-P energy: -19.331
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -18.429
flat angles P-C4'-P energy: -15.845
tors. eta vs tors. theta energy: -20.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -245.516349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.516349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.516349 (E_RNA)
where:
Base-Base interactions energy: -160.758
where: short stacking energy: -79.603
Base-Backbone interact. energy: -0.122
local terms energy: -84.637045
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -12.723
tors. eta vs tors. theta energy: -25.127
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: 5
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -187.402814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.402814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.402814 (E_RNA)
where:
Base-Base interactions energy: -112.661
where: short stacking energy: -61.187
Base-Backbone interact. energy: -0.073
local terms energy: -74.668414
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -18.120
flat angles C4'-P-C4' energy: -18.846
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -12.385
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: 4
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -185.835311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.835311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.835311 (E_RNA)
where:
Base-Base interactions energy: -106.115
where: short stacking energy: -60.693
Base-Backbone interact. energy: -0.569
local terms energy: -79.151314
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -16.250
flat angles C4'-P-C4' energy: -17.903
flat angles P-C4'-P energy: -14.174
tors. eta vs tors. theta energy: -17.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -98.772777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.772777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.772777 (E_RNA)
where:
Base-Base interactions energy: -38.749
where: short stacking energy: -29.429
Base-Backbone interact. energy: -0.203
local terms energy: -59.820500
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -18.329
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -12.742
tors. eta vs tors. theta energy: -3.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -114.313037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.313037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.313037 (E_RNA)
where:
Base-Base interactions energy: -45.042
where: short stacking energy: -34.686
Base-Backbone interact. energy: -0.007
local terms energy: -69.264006
where:
bonds (distance) C4'-P energy: -16.853
bonds (distance) P-C4' energy: -20.352
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -5.749
tors. eta vs tors. theta energy: -8.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -86.026542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.026542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.026542 (E_RNA)
where:
Base-Base interactions energy: -26.514
where: short stacking energy: -25.459
Base-Backbone interact. energy: -1.333
local terms energy: -58.178866
where:
bonds (distance) C4'-P energy: -16.619
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -11.927
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: 8
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -100.674936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.674936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.674936 (E_RNA)
where:
Base-Base interactions energy: -36.780
where: short stacking energy: -36.728
Base-Backbone interact. energy: -0.336
local terms energy: -63.559075
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -15.655
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: -11.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -85.267154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.267154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.267154 (E_RNA)
where:
Base-Base interactions energy: -24.489
where: short stacking energy: -24.481
Base-Backbone interact. energy: -0.160
local terms energy: -60.618085
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -3.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -258.364162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.364162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.364162 (E_RNA)
where:
Base-Base interactions energy: -168.551
where: short stacking energy: -86.800
Base-Backbone interact. energy: -0.633
local terms energy: -89.180668
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -18.155
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -14.129
tors. eta vs tors. theta energy: -23.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -251.699284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.699284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.699284 (E_RNA)
where:
Base-Base interactions energy: -169.273
where: short stacking energy: -64.589
Base-Backbone interact. energy: -0.399
local terms energy: -82.026855
where:
bonds (distance) C4'-P energy: -15.947
bonds (distance) P-C4' energy: -17.232
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -13.414
tors. eta vs tors. theta energy: -19.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -231.561818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.561818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.561818 (E_RNA)
where:
Base-Base interactions energy: -151.965
where: short stacking energy: -72.723
Base-Backbone interact. energy: 0.025
local terms energy: -79.622343
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -18.209
flat angles P-C4'-P energy: -10.205
tors. eta vs tors. theta energy: -15.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -171.808538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.808538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.808538 (E_RNA)
where:
Base-Base interactions energy: -98.645
where: short stacking energy: -39.796
Base-Backbone interact. energy: -0.319
local terms energy: -72.845237
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -20.527
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: -10.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -190.846160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.846160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.846160 (E_RNA)
where:
Base-Base interactions energy: -115.021
where: short stacking energy: -48.516
Base-Backbone interact. energy: -0.220
local terms energy: -75.604513
where:
bonds (distance) C4'-P energy: -17.526
bonds (distance) P-C4' energy: -19.020
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: -12.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -103.642377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.642377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.642377 (E_RNA)
where:
Base-Base interactions energy: -35.824
where: short stacking energy: -35.824
Base-Backbone interact. energy: -0.091
local terms energy: -67.727870
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -14.781
tors. eta vs tors. theta energy: -9.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -98.183936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.183936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.183936 (E_RNA)
where:
Base-Base interactions energy: -37.384
where: short stacking energy: -30.611
Base-Backbone interact. energy: -0.723
local terms energy: -60.076389
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -19.665
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -4.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -89.891970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.891970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.891970 (E_RNA)
where:
Base-Base interactions energy: -31.014
where: short stacking energy: -26.241
Base-Backbone interact. energy: -0.203
local terms energy: -58.674312
where:
bonds (distance) C4'-P energy: -17.267
bonds (distance) P-C4' energy: -20.098
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: 1.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -99.813661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.813661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.813661 (E_RNA)
where:
Base-Base interactions energy: -44.562
where: short stacking energy: -34.539
Base-Backbone interact. energy: -0.999
local terms energy: -54.252899
where:
bonds (distance) C4'-P energy: -8.527
bonds (distance) P-C4' energy: -16.782
flat angles C4'-P-C4' energy: -12.530
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: -3.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -81.459327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.459327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.459327 (E_RNA)
where:
Base-Base interactions energy: -24.113
where: short stacking energy: -24.113
Base-Backbone interact. energy: -0.381
local terms energy: -56.964387
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -12.706
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -12.633
tors. eta vs tors. theta energy: -2.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -254.835862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.835862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.835862 (E_RNA)
where:
Base-Base interactions energy: -163.464
where: short stacking energy: -77.060
Base-Backbone interact. energy: -0.026
local terms energy: -91.346153
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -18.598
flat angles C4'-P-C4' energy: -17.883
flat angles P-C4'-P energy: -13.743
tors. eta vs tors. theta energy: -25.289
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: 6
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -246.020579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.020579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.020579 (E_RNA)
where:
Base-Base interactions energy: -162.467
where: short stacking energy: -69.555
Base-Backbone interact. energy: -0.146
local terms energy: -83.408193
where:
bonds (distance) C4'-P energy: -17.604
bonds (distance) P-C4' energy: -16.770
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -15.001
tors. eta vs tors. theta energy: -17.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -233.620445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.620445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.620445 (E_RNA)
where:
Base-Base interactions energy: -149.220
where: short stacking energy: -70.075
Base-Backbone interact. energy: -0.252
local terms energy: -84.148929
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -18.907
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -20.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -206.182697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.182697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.182697 (E_RNA)
where:
Base-Base interactions energy: -126.453
where: short stacking energy: -67.801
Base-Backbone interact. energy: -0.101
local terms energy: -79.628597
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -18.914
flat angles C4'-P-C4' energy: -18.498
flat angles P-C4'-P energy: -5.152
tors. eta vs tors. theta energy: -19.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -197.820697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.820697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.820697 (E_RNA)
where:
Base-Base interactions energy: -128.166
where: short stacking energy: -56.589
Base-Backbone interact. energy: -0.572
local terms energy: -69.082575
where:
bonds (distance) C4'-P energy: -11.390
bonds (distance) P-C4' energy: -16.018
flat angles C4'-P-C4' energy: -17.328
flat angles P-C4'-P energy: -6.884
tors. eta vs tors. theta energy: -17.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -101.803970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.803970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.803970 (E_RNA)
where:
Base-Base interactions energy: -37.737
where: short stacking energy: -37.737
Base-Backbone interact. energy: 0.796
local terms energy: -64.863565
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -16.686
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -7.229
tors. eta vs tors. theta energy: -12.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -98.827436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.827436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.827436 (E_RNA)
where:
Base-Base interactions energy: -37.126
where: short stacking energy: -34.882
Base-Backbone interact. energy: -0.060
local terms energy: -61.641385
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -11.405
flat angles P-C4'-P energy: -8.846
tors. eta vs tors. theta energy: -10.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -87.938172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.938172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.938172 (E_RNA)
where:
Base-Base interactions energy: -29.244
where: short stacking energy: -29.244
Base-Backbone interact. energy: -0.124
local terms energy: -58.570255
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -18.185
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -0.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -83.363043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.363043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.363043 (E_RNA)
where:
Base-Base interactions energy: -29.445
where: short stacking energy: -23.761
Base-Backbone interact. energy: -0.187
local terms energy: -53.730481
where:
bonds (distance) C4'-P energy: -16.538
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -10.262
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -1.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -86.427126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.427126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.427126 (E_RNA)
where:
Base-Base interactions energy: -34.161
where: short stacking energy: -28.387
Base-Backbone interact. energy: -0.055
local terms energy: -52.210963
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -10.862
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -7.625
tors. eta vs tors. theta energy: -4.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -257.574944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.574944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.574944 (E_RNA)
where:
Base-Base interactions energy: -173.695
where: short stacking energy: -75.795
Base-Backbone interact. energy: -1.065
local terms energy: -82.815079
where:
bonds (distance) C4'-P energy: -18.931
bonds (distance) P-C4' energy: -16.040
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -19.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -255.450710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.450710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.450710 (E_RNA)
where:
Base-Base interactions energy: -168.938
where: short stacking energy: -82.214
Base-Backbone interact. energy: -0.774
local terms energy: -85.738707
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -21.120
flat angles C4'-P-C4' energy: -16.544
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: -25.492
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: 480
Temperature: 1.000000
Total energy: -251.427005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.427005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.427005 (E_RNA)
where:
Base-Base interactions energy: -167.613
where: short stacking energy: -82.405
Base-Backbone interact. energy: -0.002
local terms energy: -83.811417
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -17.793
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -13.554
tors. eta vs tors. theta energy: -23.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -198.450245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.450245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.450245 (E_RNA)
where:
Base-Base interactions energy: -123.101
where: short stacking energy: -50.838
Base-Backbone interact. energy: -0.365
local terms energy: -74.984582
where:
bonds (distance) C4'-P energy: -17.358
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -16.325
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -17.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -221.623508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.623508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.623508 (E_RNA)
where:
Base-Base interactions energy: -135.013
where: short stacking energy: -59.273
Base-Backbone interact. energy: -1.096
local terms energy: -85.514653
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -18.966
flat angles C4'-P-C4' energy: -17.786
flat angles P-C4'-P energy: -13.150
tors. eta vs tors. theta energy: -20.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -115.453713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.453713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.453713 (E_RNA)
where:
Base-Base interactions energy: -42.453
where: short stacking energy: -42.453
Base-Backbone interact. energy: -0.007
local terms energy: -72.993646
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -19.771
flat angles C4'-P-C4' energy: -17.049
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -9.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -86.512453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.512453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.512453 (E_RNA)
where:
Base-Base interactions energy: -22.283
where: short stacking energy: -20.464
Base-Backbone interact. energy: -0.442
local terms energy: -63.787503
where:
bonds (distance) C4'-P energy: -18.720
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: -3.380
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: 8, replica: 2
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -87.271394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.271394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.271394 (E_RNA)
where:
Base-Base interactions energy: -31.121
where: short stacking energy: -31.121
Base-Backbone interact. energy: -0.098
local terms energy: -56.052724
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: -5.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -86.455015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.455015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.455015 (E_RNA)
where:
Base-Base interactions energy: -29.208
where: short stacking energy: -26.060
Base-Backbone interact. energy: 0.672
local terms energy: -57.918846
where:
bonds (distance) C4'-P energy: -7.851
bonds (distance) P-C4' energy: -19.135
flat angles C4'-P-C4' energy: -18.443
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -1.101
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: 10
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -79.475776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.475776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.475776 (E_RNA)
where:
Base-Base interactions energy: -23.609
where: short stacking energy: -19.447
Base-Backbone interact. energy: -0.198
local terms energy: -55.668623
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -10.224
flat angles P-C4'-P energy: -10.047
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: 1, replica: 6
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -252.188492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.188492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.188492 (E_RNA)
where:
Base-Base interactions energy: -169.967
where: short stacking energy: -74.803
Base-Backbone interact. energy: -0.554
local terms energy: -81.667656
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -17.533
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -13.148
tors. eta vs tors. theta energy: -22.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -255.445012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.445012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.445012 (E_RNA)
where:
Base-Base interactions energy: -166.477
where: short stacking energy: -84.283
Base-Backbone interact. energy: -0.657
local terms energy: -88.311738
where:
bonds (distance) C4'-P energy: -14.768
bonds (distance) P-C4' energy: -19.058
flat angles C4'-P-C4' energy: -17.857
flat angles P-C4'-P energy: -12.217
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: 3, replica: 7
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -249.877922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.877922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.877922 (E_RNA)
where:
Base-Base interactions energy: -159.460
where: short stacking energy: -71.687
Base-Backbone interact. energy: -0.350
local terms energy: -90.068623
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -17.404
flat angles C4'-P-C4' energy: -17.969
flat angles P-C4'-P energy: -13.991
tors. eta vs tors. theta energy: -25.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -219.616801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.616801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.616801 (E_RNA)
where:
Base-Base interactions energy: -135.417
where: short stacking energy: -61.607
Base-Backbone interact. energy: -0.040
local terms energy: -84.159178
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -12.455
tors. eta vs tors. theta energy: -20.938
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: 5, replica: 4
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -180.236731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.236731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.236731 (E_RNA)
where:
Base-Base interactions energy: -103.952
where: short stacking energy: -56.239
Base-Backbone interact. energy: -0.145
local terms energy: -76.139366
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -17.163
flat angles P-C4'-P energy: -9.475
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: 6, replica: 3
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -109.839583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.839583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.839583 (E_RNA)
where:
Base-Base interactions energy: -40.390
where: short stacking energy: -36.237
Base-Backbone interact. energy: -0.482
local terms energy: -68.967056
where:
bonds (distance) C4'-P energy: -17.045
bonds (distance) P-C4' energy: -14.512
flat angles C4'-P-C4' energy: -17.104
flat angles P-C4'-P energy: -11.973
tors. eta vs tors. theta energy: -8.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -107.538147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.538147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.538147 (E_RNA)
where:
Base-Base interactions energy: -48.192
where: short stacking energy: -30.384
Base-Backbone interact. energy: -0.018
local terms energy: -59.328272
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -11.156
tors. eta vs tors. theta energy: -4.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -89.072334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.072334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.072334 (E_RNA)
where:
Base-Base interactions energy: -28.814
where: short stacking energy: -28.914
Base-Backbone interact. energy: -0.414
local terms energy: -59.843654
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -2.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -93.296646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.296646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.296646 (E_RNA)
where:
Base-Base interactions energy: -33.256
where: short stacking energy: -33.256
Base-Backbone interact. energy: -1.755
local terms energy: -58.286261
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -13.893
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -3.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -87.120101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.120101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.120101 (E_RNA)
where:
Base-Base interactions energy: -38.432
where: short stacking energy: -18.318
Base-Backbone interact. energy: -0.200
local terms energy: -48.488340
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -5.968
tors. eta vs tors. theta energy: 3.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -259.261611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.261611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.261611 (E_RNA)
where:
Base-Base interactions energy: -177.731
where: short stacking energy: -75.047
Base-Backbone interact. energy: -1.161
local terms energy: -80.369597
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -14.137
flat angles P-C4'-P energy: -12.731
tors. eta vs tors. theta energy: -22.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -254.814716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.814716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.814716 (E_RNA)
where:
Base-Base interactions energy: -169.366
where: short stacking energy: -78.996
Base-Backbone interact. energy: 0.167
local terms energy: -85.615763
where:
bonds (distance) C4'-P energy: -17.213
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -15.069
tors. eta vs tors. theta energy: -22.613
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: 7
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -249.379518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.379518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.379518 (E_RNA)
where:
Base-Base interactions energy: -168.817
where: short stacking energy: -76.422
Base-Backbone interact. energy: -0.047
local terms energy: -80.516255
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -18.663
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -11.172
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: 4, replica: 5
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -229.636665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.636665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.636665 (E_RNA)
where:
Base-Base interactions energy: -150.760
where: short stacking energy: -65.705
Base-Backbone interact. energy: -0.328
local terms energy: -78.549050
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -17.249
flat angles P-C4'-P energy: -13.218
tors. eta vs tors. theta energy: -18.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -129.915541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.915541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.915541 (E_RNA)
where:
Base-Base interactions energy: -63.567
where: short stacking energy: -45.282
Base-Backbone interact. energy: -0.130
local terms energy: -66.218479
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -17.805
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -11.645
tors. eta vs tors. theta energy: -8.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -197.911510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.911510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.911510 (E_RNA)
where:
Base-Base interactions energy: -116.576
where: short stacking energy: -69.033
Base-Backbone interact. energy: 0.254
local terms energy: -81.589361
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -16.911
flat angles P-C4'-P energy: -13.404
tors. eta vs tors. theta energy: -18.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -112.555503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.555503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.555503 (E_RNA)
where:
Base-Base interactions energy: -50.550
where: short stacking energy: -31.340
Base-Backbone interact. energy: -0.095
local terms energy: -61.910915
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -15.971
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -11.413
tors. eta vs tors. theta energy: -6.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -88.540600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.540600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.540600 (E_RNA)
where:
Base-Base interactions energy: -26.733
where: short stacking energy: -26.733
Base-Backbone interact. energy: -0.008
local terms energy: -61.799282
where:
bonds (distance) C4'-P energy: -11.990
bonds (distance) P-C4' energy: -19.159
flat angles C4'-P-C4' energy: -17.810
flat angles P-C4'-P energy: -11.640
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: 10
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -94.497846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.497846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.497846 (E_RNA)
where:
Base-Base interactions energy: -30.626
where: short stacking energy: -30.626
Base-Backbone interact. energy: -0.120
local terms energy: -63.752158
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -11.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -87.986678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.986678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.986678 (E_RNA)
where:
Base-Base interactions energy: -32.101
where: short stacking energy: -32.101
Base-Backbone interact. energy: -0.158
local terms energy: -55.727599
where:
bonds (distance) C4'-P energy: -9.035
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -9.179
flat angles P-C4'-P energy: -15.002
tors. eta vs tors. theta energy: -6.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -264.220996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.220996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.220996 (E_RNA)
where:
Base-Base interactions energy: -170.596
where: short stacking energy: -78.244
Base-Backbone interact. energy: 0.146
local terms energy: -93.771063
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -19.475
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -15.542
tors. eta vs tors. theta energy: -24.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -252.364135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.364135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.364135 (E_RNA)
where:
Base-Base interactions energy: -169.563
where: short stacking energy: -75.938
Base-Backbone interact. energy: -1.529
local terms energy: -81.272235
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -19.733
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -12.032
tors. eta vs tors. theta energy: -20.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -257.008174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.008174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.008174 (E_RNA)
where:
Base-Base interactions energy: -168.694
where: short stacking energy: -77.560
Base-Backbone interact. energy: -0.130
local terms energy: -88.184786
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -19.423
flat angles C4'-P-C4' energy: -19.026
flat angles P-C4'-P energy: -11.084
tors. eta vs tors. theta energy: -22.302
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: 5
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -211.115814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.115814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.115814 (E_RNA)
where:
Base-Base interactions energy: -138.087
where: short stacking energy: -66.058
Base-Backbone interact. energy: -0.466
local terms energy: -72.562878
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -11.134
tors. eta vs tors. theta energy: -18.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -106.970581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.970581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.970581 (E_RNA)
where:
Base-Base interactions energy: -43.369
where: short stacking energy: -33.391
Base-Backbone interact. energy: -0.397
local terms energy: -63.204460
where:
bonds (distance) C4'-P energy: -19.514
bonds (distance) P-C4' energy: -18.156
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -7.826
tors. eta vs tors. theta energy: -2.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -165.966688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.966688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.966688 (E_RNA)
where:
Base-Base interactions energy: -107.731
where: short stacking energy: -41.037
Base-Backbone interact. energy: -1.381
local terms energy: -56.855126
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -10.375
flat angles P-C4'-P energy: -9.934
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: 7, replica: 1
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -105.301878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.301878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.301878 (E_RNA)
where:
Base-Base interactions energy: -53.819
where: short stacking energy: -35.158
Base-Backbone interact. energy: -0.355
local terms energy: -51.127282
where:
bonds (distance) C4'-P energy: -16.411
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -10.699
flat angles P-C4'-P energy: -10.613
tors. eta vs tors. theta energy: 1.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -95.762865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.762865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.762865 (E_RNA)
where:
Base-Base interactions energy: -42.269
where: short stacking energy: -34.561
Base-Backbone interact. energy: -1.111
local terms energy: -52.383020
where:
bonds (distance) C4'-P energy: -18.099
bonds (distance) P-C4' energy: -14.017
flat angles C4'-P-C4' energy: -11.665
flat angles P-C4'-P energy: -7.644
tors. eta vs tors. theta energy: -0.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -87.377253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.377253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.377253 (E_RNA)
where:
Base-Base interactions energy: -36.444
where: short stacking energy: -24.831
Base-Backbone interact. energy: -0.137
local terms energy: -50.795828
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -7.432
tors. eta vs tors. theta energy: -0.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -86.890620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.890620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.890620 (E_RNA)
where:
Base-Base interactions energy: -28.575
where: short stacking energy: -22.557
Base-Backbone interact. energy: 2.067
local terms energy: -60.382284
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -13.890
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: 1, replica: 7
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -256.663239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.663239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.663239 (E_RNA)
where:
Base-Base interactions energy: -168.790
where: short stacking energy: -69.799
Base-Backbone interact. energy: -0.383
local terms energy: -87.490816
where:
bonds (distance) C4'-P energy: -19.556
bonds (distance) P-C4' energy: -19.435
flat angles C4'-P-C4' energy: -17.993
flat angles P-C4'-P energy: -12.790
tors. eta vs tors. theta energy: -17.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -251.484723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.484723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.484723 (E_RNA)
where:
Base-Base interactions energy: -163.104
where: short stacking energy: -76.961
Base-Backbone interact. energy: -0.090
local terms energy: -88.290603
where:
bonds (distance) C4'-P energy: -16.637
bonds (distance) P-C4' energy: -18.442
flat angles C4'-P-C4' energy: -17.920
flat angles P-C4'-P energy: -9.848
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: 9
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -259.120924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.120924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.120924 (E_RNA)
where:
Base-Base interactions energy: -167.850
where: short stacking energy: -78.311
Base-Backbone interact. energy: -0.005
local terms energy: -91.266161
where:
bonds (distance) C4'-P energy: -18.454
bonds (distance) P-C4' energy: -17.606
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -26.724
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: 5
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -213.673251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.673251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.673251 (E_RNA)
where:
Base-Base interactions energy: -138.993
where: short stacking energy: -63.128
Base-Backbone interact. energy: 0.649
local terms energy: -75.329354
where:
bonds (distance) C4'-P energy: -17.746
bonds (distance) P-C4' energy: -12.945
flat angles C4'-P-C4' energy: -20.477
flat angles P-C4'-P energy: -6.482
tors. eta vs tors. theta energy: -17.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -181.283057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.283057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.283057 (E_RNA)
where:
Base-Base interactions energy: -103.197
where: short stacking energy: -38.502
Base-Backbone interact. energy: -0.132
local terms energy: -77.953888
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -21.150
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -10.753
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: 6, replica: 3
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -101.242816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.242816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.242816 (E_RNA)
where:
Base-Base interactions energy: -51.433
where: short stacking energy: -41.669
Base-Backbone interact. energy: 0.356
local terms energy: -50.165541
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -12.524
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -7.611
tors. eta vs tors. theta energy: -3.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -95.133188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.133188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.133188 (E_RNA)
where:
Base-Base interactions energy: -35.093
where: short stacking energy: -35.093
Base-Backbone interact. energy: -0.530
local terms energy: -59.510634
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -10.662
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: -9.043
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: 8, replica: 1
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -90.091842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.091842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.091842 (E_RNA)
where:
Base-Base interactions energy: -35.374
where: short stacking energy: -35.256
Base-Backbone interact. energy: 0.151
local terms energy: -54.869376
where:
bonds (distance) C4'-P energy: -10.321
bonds (distance) P-C4' energy: -17.275
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -1.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -87.542063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.542063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.542063 (E_RNA)
where:
Base-Base interactions energy: -30.553
where: short stacking energy: -28.475
Base-Backbone interact. energy: -0.249
local terms energy: -56.739921
where:
bonds (distance) C4'-P energy: -14.684
bonds (distance) P-C4' energy: -11.641
flat angles C4'-P-C4' energy: -17.556
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -2.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -80.360243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.360243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.360243 (E_RNA)
where:
Base-Base interactions energy: -21.813
where: short stacking energy: -21.813
Base-Backbone interact. energy: -0.127
local terms energy: -58.420210
where:
bonds (distance) C4'-P energy: -17.461
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -11.946
flat angles P-C4'-P energy: -8.931
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: 1, replica: 7
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -253.905573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.905573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.905573 (E_RNA)
where:
Base-Base interactions energy: -169.012
where: short stacking energy: -83.512
Base-Backbone interact. energy: 0.454
local terms energy: -85.348237
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -13.151
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: 2, replica: 9
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -251.401396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.401396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.401396 (E_RNA)
where:
Base-Base interactions energy: -170.306
where: short stacking energy: -69.860
Base-Backbone interact. energy: -0.455
local terms energy: -80.640549
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -19.028
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -18.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -259.948553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.948553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.948553 (E_RNA)
where:
Base-Base interactions energy: -168.171
where: short stacking energy: -79.294
Base-Backbone interact. energy: -0.019
local terms energy: -91.758847
where:
bonds (distance) C4'-P energy: -17.075
bonds (distance) P-C4' energy: -18.159
flat angles C4'-P-C4' energy: -18.638
flat angles P-C4'-P energy: -12.329
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: 4, replica: 5
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -212.540767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.540767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.540767 (E_RNA)
where:
Base-Base interactions energy: -133.756
where: short stacking energy: -60.417
Base-Backbone interact. energy: -0.083
local terms energy: -78.701997
where:
bonds (distance) C4'-P energy: -15.441
bonds (distance) P-C4' energy: -18.412
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -13.689
tors. eta vs tors. theta energy: -15.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -189.636143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.636143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.636143 (E_RNA)
where:
Base-Base interactions energy: -115.103
where: short stacking energy: -56.094
Base-Backbone interact. energy: -0.339
local terms energy: -74.194247
where:
bonds (distance) C4'-P energy: -18.706
bonds (distance) P-C4' energy: -10.643
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -15.265
tors. eta vs tors. theta energy: -14.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -102.615763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.615763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.615763 (E_RNA)
where:
Base-Base interactions energy: -38.576
where: short stacking energy: -38.576
Base-Backbone interact. energy: -0.075
local terms energy: -63.964955
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -19.922
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -6.594
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: 3
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -98.872708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.872708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.872708 (E_RNA)
where:
Base-Base interactions energy: -43.030
where: short stacking energy: -26.370
Base-Backbone interact. energy: -0.326
local terms energy: -55.516905
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -10.430
flat angles P-C4'-P energy: -15.457
tors. eta vs tors. theta energy: 2.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -105.469186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.469186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.469186 (E_RNA)
where:
Base-Base interactions energy: -39.636
where: short stacking energy: -36.163
Base-Backbone interact. energy: -0.215
local terms energy: -65.617986
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -15.481
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -7.904
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: 1
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -83.860248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.860248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.860248 (E_RNA)
where:
Base-Base interactions energy: -22.319
where: short stacking energy: -22.149
Base-Backbone interact. energy: -0.356
local terms energy: -61.185266
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -18.006
flat angles C4'-P-C4' energy: -12.271
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: -3.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -88.127073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.127073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.127073 (E_RNA)
where:
Base-Base interactions energy: -36.910
where: short stacking energy: -32.491
Base-Backbone interact. energy: -0.305
local terms energy: -50.911246
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -10.065
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: -3.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -252.246470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.246470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.246470 (E_RNA)
where:
Base-Base interactions energy: -168.398
where: short stacking energy: -68.041
Base-Backbone interact. energy: -0.576
local terms energy: -83.273079
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -18.957
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -13.802
tors. eta vs tors. theta energy: -19.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -244.085821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.085821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.085821 (E_RNA)
where:
Base-Base interactions energy: -160.487
where: short stacking energy: -64.727
Base-Backbone interact. energy: -0.127
local terms energy: -83.471512
where:
bonds (distance) C4'-P energy: -18.090
bonds (distance) P-C4' energy: -17.856
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -20.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -251.652072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.652072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.652072 (E_RNA)
where:
Base-Base interactions energy: -163.506
where: short stacking energy: -75.861
Base-Backbone interact. energy: -0.011
local terms energy: -88.135309
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -17.747
flat angles C4'-P-C4' energy: -18.959
flat angles P-C4'-P energy: -14.894
tors. eta vs tors. theta energy: -23.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -205.609589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.609589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.609589 (E_RNA)
where:
Base-Base interactions energy: -138.082
where: short stacking energy: -64.943
Base-Backbone interact. energy: -0.426
local terms energy: -67.101478
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -14.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -117.604903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.604903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.604903 (E_RNA)
where:
Base-Base interactions energy: -61.432
where: short stacking energy: -42.462
Base-Backbone interact. energy: -0.498
local terms energy: -55.674747
where:
bonds (distance) C4'-P energy: -17.449
bonds (distance) P-C4' energy: -17.554
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -4.271
tors. eta vs tors. theta energy: -4.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -106.503087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.503087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.503087 (E_RNA)
where:
Base-Base interactions energy: -50.302
where: short stacking energy: -24.127
Base-Backbone interact. energy: -0.260
local terms energy: -55.940932
where:
bonds (distance) C4'-P energy: -10.237
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -8.767
tors. eta vs tors. theta energy: -5.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -99.588754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.588754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.588754 (E_RNA)
where:
Base-Base interactions energy: -48.566
where: short stacking energy: -27.320
Base-Backbone interact. energy: -0.321
local terms energy: -50.702540
where:
bonds (distance) C4'-P energy: -11.483
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -5.094
tors. eta vs tors. theta energy: -8.019
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: 3
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -86.541728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.541728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.541728 (E_RNA)
where:
Base-Base interactions energy: -32.131
where: short stacking energy: -31.495
Base-Backbone interact. energy: 0.159
local terms energy: -54.569933
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -19.675
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -6.684
tors. eta vs tors. theta energy: -1.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -87.119217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.119217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.119217 (E_RNA)
where:
Base-Base interactions energy: -28.133
where: short stacking energy: -20.238
Base-Backbone interact. energy: -0.300
local terms energy: -58.686946
where:
bonds (distance) C4'-P energy: -16.054
bonds (distance) P-C4' energy: -20.913
flat angles C4'-P-C4' energy: -9.182
flat angles P-C4'-P energy: -7.596
tors. eta vs tors. theta energy: -4.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -88.089642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.089642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.089642 (E_RNA)
where:
Base-Base interactions energy: -31.341
where: short stacking energy: -24.089
Base-Backbone interact. energy: 2.305
local terms energy: -59.054050
where:
bonds (distance) C4'-P energy: -18.122
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -10.735
flat angles P-C4'-P energy: -7.478
tors. eta vs tors. theta energy: -4.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -259.250423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.250423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.250423 (E_RNA)
where:
Base-Base interactions energy: -181.516
where: short stacking energy: -74.385
Base-Backbone interact. energy: -0.392
local terms energy: -77.342237
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -12.784
flat angles C4'-P-C4' energy: -17.231
flat angles P-C4'-P energy: -13.107
tors. eta vs tors. theta energy: -18.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -251.853743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.853743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.853743 (E_RNA)
where:
Base-Base interactions energy: -160.026
where: short stacking energy: -70.016
Base-Backbone interact. energy: -1.219
local terms energy: -90.609066
where:
bonds (distance) C4'-P energy: -18.095
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -16.935
flat angles P-C4'-P energy: -13.783
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: 9
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -243.508361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.508361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.508361 (E_RNA)
where:
Base-Base interactions energy: -162.031
where: short stacking energy: -67.505
Base-Backbone interact. energy: -0.077
local terms energy: -81.400370
where:
bonds (distance) C4'-P energy: -16.277
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -12.813
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: 4, replica: 5
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -214.498794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.498794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.498794 (E_RNA)
where:
Base-Base interactions energy: -134.559
where: short stacking energy: -60.210
Base-Backbone interact. energy: -0.015
local terms energy: -79.924504
where:
bonds (distance) C4'-P energy: -16.773
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -17.553
flat angles P-C4'-P energy: -13.293
tors. eta vs tors. theta energy: -14.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -110.902354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.902354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.902354 (E_RNA)
where:
Base-Base interactions energy: -48.534
where: short stacking energy: -48.534
Base-Backbone interact. energy: -0.225
local terms energy: -62.143386
where:
bonds (distance) C4'-P energy: -10.983
bonds (distance) P-C4' energy: -16.419
flat angles C4'-P-C4' energy: -14.435
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -8.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -104.478905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.478905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.478905 (E_RNA)
where:
Base-Base interactions energy: -38.744
where: short stacking energy: -33.486
Base-Backbone interact. energy: 1.011
local terms energy: -66.745634
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -3.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -103.184443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.184443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.184443 (E_RNA)
where:
Base-Base interactions energy: -45.564
where: short stacking energy: -45.249
Base-Backbone interact. energy: 0.193
local terms energy: -57.813562
where:
bonds (distance) C4'-P energy: -11.748
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -4.308
tors. eta vs tors. theta energy: -6.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -92.760238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.760238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.760238 (E_RNA)
where:
Base-Base interactions energy: -28.750
where: short stacking energy: -28.750
Base-Backbone interact. energy: -0.018
local terms energy: -63.992717
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -16.284
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -8.793
tors. eta vs tors. theta energy: -6.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -88.042563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.042563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.042563 (E_RNA)
where:
Base-Base interactions energy: -28.195
where: short stacking energy: -23.808
Base-Backbone interact. energy: -0.396
local terms energy: -59.451080
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -13.311
tors. eta vs tors. theta energy: 0.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -77.445561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.445561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.445561 (E_RNA)
where:
Base-Base interactions energy: -31.268
where: short stacking energy: -28.334
Base-Backbone interact. energy: 0.846
local terms energy: -47.023647
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -9.467
flat angles C4'-P-C4' energy: -11.173
flat angles P-C4'-P energy: -3.795
tors. eta vs tors. theta energy: -5.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -259.199962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.199962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.199962 (E_RNA)
where:
Base-Base interactions energy: -175.090
where: short stacking energy: -76.681
Base-Backbone interact. energy: -0.281
local terms energy: -83.828895
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -18.562
flat angles C4'-P-C4' energy: -17.775
flat angles P-C4'-P energy: -9.721
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: 2, replica: 7
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -252.715646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.715646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.715646 (E_RNA)
where:
Base-Base interactions energy: -166.405
where: short stacking energy: -69.552
Base-Backbone interact. energy: -0.085
local terms energy: -86.225368
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -21.314
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -21.271
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: 9
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -258.821802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.821802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.821802 (E_RNA)
where:
Base-Base interactions energy: -165.075
where: short stacking energy: -72.496
Base-Backbone interact. energy: -0.068
local terms energy: -93.678901
where:
bonds (distance) C4'-P energy: -18.216
bonds (distance) P-C4' energy: -18.329
flat angles C4'-P-C4' energy: -19.160
flat angles P-C4'-P energy: -15.254
tors. eta vs tors. theta energy: -22.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -229.402016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.402016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.402016 (E_RNA)
where:
Base-Base interactions energy: -146.589
where: short stacking energy: -61.105
Base-Backbone interact. energy: 1.000
local terms energy: -83.813085
where:
bonds (distance) C4'-P energy: -16.942
bonds (distance) P-C4' energy: -15.345
flat angles C4'-P-C4' energy: -19.424
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -21.572
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: 2
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -135.002599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.002599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.002599 (E_RNA)
where:
Base-Base interactions energy: -69.401
where: short stacking energy: -39.867
Base-Backbone interact. energy: 0.018
local terms energy: -65.619474
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -14.683
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: -8.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -107.517810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.517810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.517810 (E_RNA)
where:
Base-Base interactions energy: -46.039
where: short stacking energy: -30.675
Base-Backbone interact. energy: -0.138
local terms energy: -61.340388
where:
bonds (distance) C4'-P energy: -17.713
bonds (distance) P-C4' energy: -18.111
flat angles C4'-P-C4' energy: -11.887
flat angles P-C4'-P energy: -13.143
tors. eta vs tors. theta energy: -0.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -113.736738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.736738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.736738 (E_RNA)
where:
Base-Base interactions energy: -67.631
where: short stacking energy: -38.461
Base-Backbone interact. energy: 0.586
local terms energy: -46.691424
where:
bonds (distance) C4'-P energy: -9.660
bonds (distance) P-C4' energy: -10.082
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -6.235
tors. eta vs tors. theta energy: -5.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -94.792853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.792853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.792853 (E_RNA)
where:
Base-Base interactions energy: -36.208
where: short stacking energy: -36.208
Base-Backbone interact. energy: -0.018
local terms energy: -58.566851
where:
bonds (distance) C4'-P energy: -16.499
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -5.648
tors. eta vs tors. theta energy: -3.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -91.419649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.419649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.419649 (E_RNA)
where:
Base-Base interactions energy: -41.632
where: short stacking energy: -36.441
Base-Backbone interact. energy: 0.484
local terms energy: -50.272036
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -12.287
flat angles C4'-P-C4' energy: -12.878
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -2.934
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: 3
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -74.600792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.600792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.600792 (E_RNA)
where:
Base-Base interactions energy: -16.096
where: short stacking energy: -15.994
Base-Backbone interact. energy: -1.266
local terms energy: -57.238952
where:
bonds (distance) C4'-P energy: -11.123
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -18.194
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -1.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -249.141939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.141939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.141939 (E_RNA)
where:
Base-Base interactions energy: -163.500
where: short stacking energy: -70.860
Base-Backbone interact. energy: -0.649
local terms energy: -84.992457
where:
bonds (distance) C4'-P energy: -18.622
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -18.864
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -20.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -257.845752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.845752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.845752 (E_RNA)
where:
Base-Base interactions energy: -177.971
where: short stacking energy: -66.473
Base-Backbone interact. energy: -0.112
local terms energy: -79.763259
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -18.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -235.561742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.561742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.561742 (E_RNA)
where:
Base-Base interactions energy: -155.391
where: short stacking energy: -67.546
Base-Backbone interact. energy: -0.299
local terms energy: -79.872440
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -18.838
flat angles C4'-P-C4' energy: -18.875
flat angles P-C4'-P energy: -8.283
tors. eta vs tors. theta energy: -19.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -220.414284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.414284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.414284 (E_RNA)
where:
Base-Base interactions energy: -138.648
where: short stacking energy: -60.715
Base-Backbone interact. energy: -0.006
local terms energy: -81.760290
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -16.380
flat angles C4'-P-C4' energy: -16.832
flat angles P-C4'-P energy: -12.825
tors. eta vs tors. theta energy: -19.672
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: 5, replica: 2
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -126.476572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.476572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.476572 (E_RNA)
where:
Base-Base interactions energy: -59.825
where: short stacking energy: -30.466
Base-Backbone interact. energy: -0.110
local terms energy: -66.540904
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -16.676
flat angles C4'-P-C4' energy: -16.927
flat angles P-C4'-P energy: -12.514
tors. eta vs tors. theta energy: -6.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -146.809976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.809976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.809976 (E_RNA)
where:
Base-Base interactions energy: -85.133
where: short stacking energy: -36.929
Base-Backbone interact. energy: 2.041
local terms energy: -63.717884
where:
bonds (distance) C4'-P energy: -17.114
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -3.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -107.390253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.390253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.390253 (E_RNA)
where:
Base-Base interactions energy: -50.077
where: short stacking energy: -30.703
Base-Backbone interact. energy: -0.161
local terms energy: -57.152082
where:
bonds (distance) C4'-P energy: -17.936
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -10.182
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: 0.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -90.001840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.001840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.001840 (E_RNA)
where:
Base-Base interactions energy: -29.572
where: short stacking energy: -23.808
Base-Backbone interact. energy: -0.359
local terms energy: -60.071013
where:
bonds (distance) C4'-P energy: -13.534
bonds (distance) P-C4' energy: -20.300
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -9.021
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: 9, replica: 1
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -94.087441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.087441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.087441 (E_RNA)
where:
Base-Base interactions energy: -41.779
where: short stacking energy: -35.838
Base-Backbone interact. energy: -0.249
local terms energy: -52.060197
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -16.990
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -4.773
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: 3
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -78.195234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.195234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.195234 (E_RNA)
where:
Base-Base interactions energy: -30.476
where: short stacking energy: -23.807
Base-Backbone interact. energy: -0.297
local terms energy: -47.422533
where:
bonds (distance) C4'-P energy: -11.015
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -6.810
tors. eta vs tors. theta energy: -1.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -261.663681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.663681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.663681 (E_RNA)
where:
Base-Base interactions energy: -178.740
where: short stacking energy: -75.152
Base-Backbone interact. energy: -2.884
local terms energy: -80.039274
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -17.986
flat angles P-C4'-P energy: -15.260
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: 2, replica: 7
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -253.972448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.972448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.972448 (E_RNA)
where:
Base-Base interactions energy: -170.968
where: short stacking energy: -73.814
Base-Backbone interact. energy: -0.003
local terms energy: -83.001498
where:
bonds (distance) C4'-P energy: -15.494
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -16.637
tors. eta vs tors. theta energy: -20.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -229.194937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.194937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.194937 (E_RNA)
where:
Base-Base interactions energy: -151.688
where: short stacking energy: -64.899
Base-Backbone interact. energy: -0.068
local terms energy: -77.439188
where:
bonds (distance) C4'-P energy: -17.216
bonds (distance) P-C4' energy: -11.598
flat angles C4'-P-C4' energy: -17.141
flat angles P-C4'-P energy: -10.781
tors. eta vs tors. theta energy: -20.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -222.581060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.581060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.581060 (E_RNA)
where:
Base-Base interactions energy: -145.573
where: short stacking energy: -66.977
Base-Backbone interact. energy: -0.149
local terms energy: -76.859372
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -15.313
flat angles C4'-P-C4' energy: -18.408
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -16.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -163.911104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.911104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.911104 (E_RNA)
where:
Base-Base interactions energy: -96.008
where: short stacking energy: -58.049
Base-Backbone interact. energy: -0.471
local terms energy: -67.431695
where:
bonds (distance) C4'-P energy: -20.007
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -7.669
tors. eta vs tors. theta energy: -11.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -111.318111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.318111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.318111 (E_RNA)
where:
Base-Base interactions energy: -39.718
where: short stacking energy: -39.718
Base-Backbone interact. energy: -0.159
local terms energy: -71.441380
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -20.366
flat angles C4'-P-C4' energy: -17.443
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -8.090
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: 8
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -89.893077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.893077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.893077 (E_RNA)
where:
Base-Base interactions energy: -34.955
where: short stacking energy: -31.227
Base-Backbone interact. energy: -0.710
local terms energy: -54.228198
where:
bonds (distance) C4'-P energy: -11.065
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -11.953
tors. eta vs tors. theta energy: -0.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -84.948359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.948359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.948359 (E_RNA)
where:
Base-Base interactions energy: -30.341
where: short stacking energy: -20.140
Base-Backbone interact. energy: -0.195
local terms energy: -54.412373
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -11.895
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: 1
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -83.027213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.027213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.027213 (E_RNA)
where:
Base-Base interactions energy: -24.259
where: short stacking energy: -20.199
Base-Backbone interact. energy: -0.247
local terms energy: -58.521029
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -11.778
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -2.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -79.010707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.010707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.010707 (E_RNA)
where:
Base-Base interactions energy: -23.804
where: short stacking energy: -18.972
Base-Backbone interact. energy: 0.283
local terms energy: -55.489531
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -11.701
tors. eta vs tors. theta energy: 1.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -269.009103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.009103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.009103 (E_RNA)
where:
Base-Base interactions energy: -180.260
where: short stacking energy: -74.633
Base-Backbone interact. energy: -1.762
local terms energy: -86.986847
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -19.713
flat angles C4'-P-C4' energy: -20.287
flat angles P-C4'-P energy: -13.038
tors. eta vs tors. theta energy: -21.319
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: 2, replica: 7
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -258.051493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.051493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.051493 (E_RNA)
where:
Base-Base interactions energy: -177.857
where: short stacking energy: -78.625
Base-Backbone interact. energy: -0.097
local terms energy: -80.097573
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -18.537
flat angles C4'-P-C4' energy: -17.163
flat angles P-C4'-P energy: -9.526
tors. eta vs tors. theta energy: -20.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -243.234281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.234281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.234281 (E_RNA)
where:
Base-Base interactions energy: -163.305
where: short stacking energy: -78.151
Base-Backbone interact. energy: -0.052
local terms energy: -79.877858
where:
bonds (distance) C4'-P energy: -12.689
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -18.307
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -24.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -242.909113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.909113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.909113 (E_RNA)
where:
Base-Base interactions energy: -155.475
where: short stacking energy: -81.595
Base-Backbone interact. energy: -1.055
local terms energy: -86.379011
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -14.021
flat angles C4'-P-C4' energy: -21.637
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -23.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -124.265691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.265691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.265691 (E_RNA)
where:
Base-Base interactions energy: -53.875
where: short stacking energy: -38.618
Base-Backbone interact. energy: 1.051
local terms energy: -71.441978
where:
bonds (distance) C4'-P energy: -19.228
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -10.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -94.492090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.492090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.492090 (E_RNA)
where:
Base-Base interactions energy: -38.218
where: short stacking energy: -23.099
Base-Backbone interact. energy: -0.297
local terms energy: -55.977613
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -0.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -105.179421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.179421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.179421 (E_RNA)
where:
Base-Base interactions energy: -39.559
where: short stacking energy: -39.559
Base-Backbone interact. energy: -0.206
local terms energy: -65.414507
where:
bonds (distance) C4'-P energy: -9.810
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -18.575
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: -8.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -100.210815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.210815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.210815 (E_RNA)
where:
Base-Base interactions energy: -36.913
where: short stacking energy: -35.136
Base-Backbone interact. energy: -0.026
local terms energy: -63.271216
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -9.814
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: 9, replica: 4
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -88.432125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.432125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.432125 (E_RNA)
where:
Base-Base interactions energy: -35.024
where: short stacking energy: -26.969
Base-Backbone interact. energy: -0.353
local terms energy: -53.055912
where:
bonds (distance) C4'-P energy: -10.994
bonds (distance) P-C4' energy: -19.926
flat angles C4'-P-C4' energy: -9.944
flat angles P-C4'-P energy: -7.309
tors. eta vs tors. theta energy: -4.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -82.802440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.802440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.802440 (E_RNA)
where:
Base-Base interactions energy: -22.438
where: short stacking energy: -21.748
Base-Backbone interact. energy: -0.098
local terms energy: -60.266761
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -16.906
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -1.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -275.865752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.865752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.865752 (E_RNA)
where:
Base-Base interactions energy: -181.910
where: short stacking energy: -69.833
Base-Backbone interact. energy: -0.273
local terms energy: -93.682708
where:
bonds (distance) C4'-P energy: -19.778
bonds (distance) P-C4' energy: -18.097
flat angles C4'-P-C4' energy: -19.528
flat angles P-C4'-P energy: -15.308
tors. eta vs tors. theta energy: -20.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -246.132248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.132248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.132248 (E_RNA)
where:
Base-Base interactions energy: -159.818
where: short stacking energy: -78.079
Base-Backbone interact. energy: -0.001
local terms energy: -86.312939
where:
bonds (distance) C4'-P energy: -16.859
bonds (distance) P-C4' energy: -15.764
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -13.472
tors. eta vs tors. theta energy: -25.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -240.022264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.022264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.022264 (E_RNA)
where:
Base-Base interactions energy: -148.923
where: short stacking energy: -70.286
Base-Backbone interact. energy: -0.169
local terms energy: -90.930323
where:
bonds (distance) C4'-P energy: -13.715
bonds (distance) P-C4' energy: -19.457
flat angles C4'-P-C4' energy: -20.150
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -25.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -243.329011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.329011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.329011 (E_RNA)
where:
Base-Base interactions energy: -159.196
where: short stacking energy: -76.209
Base-Backbone interact. energy: -0.001
local terms energy: -84.131625
where:
bonds (distance) C4'-P energy: -16.860
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -19.172
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: -20.087
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: 8
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -100.984414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.984414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.984414 (E_RNA)
where:
Base-Base interactions energy: -30.358
where: short stacking energy: -30.358
Base-Backbone interact. energy: -0.183
local terms energy: -70.444285
where:
bonds (distance) C4'-P energy: -17.006
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -18.556
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: -7.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -106.271452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.271452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.271452 (E_RNA)
where:
Base-Base interactions energy: -42.288
where: short stacking energy: -30.758
Base-Backbone interact. energy: 0.319
local terms energy: -64.302050
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -17.963
flat angles C4'-P-C4' energy: -14.146
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -3.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -97.531041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.531041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.531041 (E_RNA)
where:
Base-Base interactions energy: -35.993
where: short stacking energy: -28.337
Base-Backbone interact. energy: -0.332
local terms energy: -61.206129
where:
bonds (distance) C4'-P energy: -18.574
bonds (distance) P-C4' energy: -10.623
flat angles C4'-P-C4' energy: -18.661
flat angles P-C4'-P energy: -7.491
tors. eta vs tors. theta energy: -5.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -87.761964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.761964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.761964 (E_RNA)
where:
Base-Base interactions energy: -32.033
where: short stacking energy: -14.703
Base-Backbone interact. energy: -0.102
local terms energy: -55.626969
where:
bonds (distance) C4'-P energy: -16.053
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -9.043
flat angles P-C4'-P energy: -9.183
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: 9, replica: 4
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -80.790392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.790392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.790392 (E_RNA)
where:
Base-Base interactions energy: -27.647
where: short stacking energy: -24.680
Base-Backbone interact. energy: -0.343
local terms energy: -52.800070
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -11.915
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -0.340
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: 492
Temperature: 1.350000
Total energy: -77.565549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.565549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.565549 (E_RNA)
where:
Base-Base interactions energy: -26.329
where: short stacking energy: -20.688
Base-Backbone interact. energy: -0.305
local terms energy: -50.931043
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -11.817
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -13.322
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: 1, replica: 6
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -266.380402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.380402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.380402 (E_RNA)
where:
Base-Base interactions energy: -176.035
where: short stacking energy: -76.918
Base-Backbone interact. energy: -1.143
local terms energy: -89.202934
where:
bonds (distance) C4'-P energy: -18.057
bonds (distance) P-C4' energy: -20.426
flat angles C4'-P-C4' energy: -18.150
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -22.454
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: 5
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -243.652172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.652172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.652172 (E_RNA)
where:
Base-Base interactions energy: -154.833
where: short stacking energy: -67.791
Base-Backbone interact. energy: -0.362
local terms energy: -88.457071
where:
bonds (distance) C4'-P energy: -17.998
bonds (distance) P-C4' energy: -15.965
flat angles C4'-P-C4' energy: -19.878
flat angles P-C4'-P energy: -13.131
tors. eta vs tors. theta energy: -21.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -248.446306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.446306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.446306 (E_RNA)
where:
Base-Base interactions energy: -167.907
where: short stacking energy: -74.212
Base-Backbone interact. energy: -0.518
local terms energy: -80.021240
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -16.820
flat angles C4'-P-C4' energy: -19.017
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -22.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -230.292929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.292929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.292929 (E_RNA)
where:
Base-Base interactions energy: -152.067
where: short stacking energy: -76.926
Base-Backbone interact. energy: -0.061
local terms energy: -78.165792
where:
bonds (distance) C4'-P energy: -16.055
bonds (distance) P-C4' energy: -13.192
flat angles C4'-P-C4' energy: -17.892
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -22.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -102.588628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.588628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.588628 (E_RNA)
where:
Base-Base interactions energy: -39.172
where: short stacking energy: -39.149
Base-Backbone interact. energy: -0.191
local terms energy: -63.224933
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -18.163
flat angles C4'-P-C4' energy: -11.313
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -7.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -109.798296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.798296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.798296 (E_RNA)
where:
Base-Base interactions energy: -39.433
where: short stacking energy: -39.433
Base-Backbone interact. energy: -0.049
local terms energy: -70.316143
where:
bonds (distance) C4'-P energy: -11.853
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -19.341
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -9.437
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: 10
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -95.121443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.121443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.121443 (E_RNA)
where:
Base-Base interactions energy: -32.274
where: short stacking energy: -31.628
Base-Backbone interact. energy: -0.255
local terms energy: -62.592862
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -20.413
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -7.890
tors. eta vs tors. theta energy: -3.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -85.016033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.016033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.016033 (E_RNA)
where:
Base-Base interactions energy: -32.293
where: short stacking energy: -21.145
Base-Backbone interact. energy: -0.171
local terms energy: -52.552215
where:
bonds (distance) C4'-P energy: -18.048
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -13.152
flat angles P-C4'-P energy: -5.045
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: 9, replica: 1
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -87.382864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.382864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.382864 (E_RNA)
where:
Base-Base interactions energy: -40.176
where: short stacking energy: -33.673
Base-Backbone interact. energy: -0.209
local terms energy: -46.997949
where:
bonds (distance) C4'-P energy: -9.590
bonds (distance) P-C4' energy: -15.816
flat angles C4'-P-C4' energy: -11.528
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -0.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -83.931980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.931980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.931980 (E_RNA)
where:
Base-Base interactions energy: -27.642
where: short stacking energy: -27.364
Base-Backbone interact. energy: 0.074
local terms energy: -56.364576
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -7.980
flat angles C4'-P-C4' energy: -19.100
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -5.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -248.818969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.818969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.818969 (E_RNA)
where:
Base-Base interactions energy: -159.803
where: short stacking energy: -72.188
Base-Backbone interact. energy: -0.000
local terms energy: -89.015504
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -19.996
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -14.095
tors. eta vs tors. theta energy: -22.539
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: 6
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -249.237751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.237751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.237751 (E_RNA)
where:
Base-Base interactions energy: -167.790
where: short stacking energy: -68.438
Base-Backbone interact. energy: -0.004
local terms energy: -81.444248
where:
bonds (distance) C4'-P energy: -13.082
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -18.342
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -20.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -243.269673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.269673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.269673 (E_RNA)
where:
Base-Base interactions energy: -162.721
where: short stacking energy: -73.359
Base-Backbone interact. energy: -0.100
local terms energy: -80.447804
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -18.179
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -22.695
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: 9
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -240.995357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.995357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.995357 (E_RNA)
where:
Base-Base interactions energy: -156.675
where: short stacking energy: -74.997
Base-Backbone interact. energy: -0.015
local terms energy: -84.305781
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -17.583
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -12.433
tors. eta vs tors. theta energy: -21.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -112.423147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.423147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.423147 (E_RNA)
where:
Base-Base interactions energy: -57.049
where: short stacking energy: -27.943
Base-Backbone interact. energy: 0.325
local terms energy: -55.698751
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -11.381
flat angles P-C4'-P energy: -12.765
tors. eta vs tors. theta energy: 0.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -98.804673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.804673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.804673 (E_RNA)
where:
Base-Base interactions energy: -45.136
where: short stacking energy: -34.027
Base-Backbone interact. energy: -0.124
local terms energy: -53.545009
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -18.699
flat angles C4'-P-C4' energy: -7.741
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -1.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -92.595947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.595947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.595947 (E_RNA)
where:
Base-Base interactions energy: -35.303
where: short stacking energy: -26.834
Base-Backbone interact. energy: -0.203
local terms energy: -57.089201
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -16.182
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -6.549
tors. eta vs tors. theta energy: -1.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -84.754795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.754795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.754795 (E_RNA)
where:
Base-Base interactions energy: -29.587
where: short stacking energy: -26.720
Base-Backbone interact. energy: -0.842
local terms energy: -54.325637
where:
bonds (distance) C4'-P energy: -16.948
bonds (distance) P-C4' energy: -19.009
flat angles C4'-P-C4' energy: -12.263
flat angles P-C4'-P energy: -5.717
tors. eta vs tors. theta energy: -0.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -91.999701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.999701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.999701 (E_RNA)
where:
Base-Base interactions energy: -28.508
where: short stacking energy: -27.042
Base-Backbone interact. energy: 1.683
local terms energy: -65.174987
where:
bonds (distance) C4'-P energy: -17.912
bonds (distance) P-C4' energy: -19.337
flat angles C4'-P-C4' energy: -14.091
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -3.180
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: 1
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -89.294459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.294459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.294459 (E_RNA)
where:
Base-Base interactions energy: -39.157
where: short stacking energy: -27.187
Base-Backbone interact. energy: -0.258
local terms energy: -49.878932
where:
bonds (distance) C4'-P energy: -8.503
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -11.070
flat angles P-C4'-P energy: -13.829
tors. eta vs tors. theta energy: -0.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -247.164413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.164413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.164413 (E_RNA)
where:
Base-Base interactions energy: -161.213
where: short stacking energy: -72.691
Base-Backbone interact. energy: -0.000
local terms energy: -85.951511
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -17.825
flat angles P-C4'-P energy: -13.753
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: 2, replica: 7
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -255.484550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.484550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.484550 (E_RNA)
where:
Base-Base interactions energy: -169.718
where: short stacking energy: -78.999
Base-Backbone interact. energy: -0.004
local terms energy: -85.762895
where:
bonds (distance) C4'-P energy: -17.614
bonds (distance) P-C4' energy: -13.049
flat angles C4'-P-C4' energy: -17.791
flat angles P-C4'-P energy: -12.678
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: 6
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -237.751344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.751344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.751344 (E_RNA)
where:
Base-Base interactions energy: -150.931
where: short stacking energy: -74.449
Base-Backbone interact. energy: -0.003
local terms energy: -86.818076
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -17.450
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: -24.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -231.126241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.126241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.126241 (E_RNA)
where:
Base-Base interactions energy: -152.296
where: short stacking energy: -73.763
Base-Backbone interact. energy: -0.108
local terms energy: -78.721567
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -19.589
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -8.083
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: 5, replica: 8
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -100.865983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.865983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.865983 (E_RNA)
where:
Base-Base interactions energy: -39.045
where: short stacking energy: -38.976
Base-Backbone interact. energy: -0.155
local terms energy: -61.665654
where:
bonds (distance) C4'-P energy: -16.666
bonds (distance) P-C4' energy: -19.131
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -2.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -114.146915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.146915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.146915 (E_RNA)
where:
Base-Base interactions energy: -41.899
where: short stacking energy: -38.158
Base-Backbone interact. energy: -0.058
local terms energy: -72.189336
where:
bonds (distance) C4'-P energy: -19.129
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -11.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -94.161437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.161437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.161437 (E_RNA)
where:
Base-Base interactions energy: -37.004
where: short stacking energy: -25.440
Base-Backbone interact. energy: 0.013
local terms energy: -57.171052
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -16.412
flat angles C4'-P-C4' energy: -12.567
flat angles P-C4'-P energy: -12.045
tors. eta vs tors. theta energy: -3.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -88.151730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.151730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.151730 (E_RNA)
where:
Base-Base interactions energy: -32.619
where: short stacking energy: -25.613
Base-Backbone interact. energy: -0.199
local terms energy: -55.334178
where:
bonds (distance) C4'-P energy: -11.956
bonds (distance) P-C4' energy: -16.778
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -3.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -77.335825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.335825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.335825 (E_RNA)
where:
Base-Base interactions energy: -19.530
where: short stacking energy: -13.502
Base-Backbone interact. energy: -0.123
local terms energy: -57.682824
where:
bonds (distance) C4'-P energy: -19.265
bonds (distance) P-C4' energy: -18.124
flat angles C4'-P-C4' energy: -10.129
flat angles P-C4'-P energy: -11.494
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: 10, replica: 1
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -82.565598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.565598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.565598 (E_RNA)
where:
Base-Base interactions energy: -31.343
where: short stacking energy: -31.343
Base-Backbone interact. energy: -0.110
local terms energy: -51.112951
where:
bonds (distance) C4'-P energy: -11.571
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -1.589
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: 1, replica: 7
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -258.525936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.525936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.525936 (E_RNA)
where:
Base-Base interactions energy: -169.814
where: short stacking energy: -79.222
Base-Backbone interact. energy: -0.227
local terms energy: -88.485306
where:
bonds (distance) C4'-P energy: -17.470
bonds (distance) P-C4' energy: -18.607
flat angles C4'-P-C4' energy: -16.667
flat angles P-C4'-P energy: -12.049
tors. eta vs tors. theta energy: -23.692
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: 5
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -237.626035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.626035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.626035 (E_RNA)
where:
Base-Base interactions energy: -158.522
where: short stacking energy: -70.582
Base-Backbone interact. energy: -0.012
local terms energy: -79.092099
where:
bonds (distance) C4'-P energy: -19.215
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -19.602
flat angles P-C4'-P energy: -4.342
tors. eta vs tors. theta energy: -21.475
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: 9
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -248.755619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.755619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.755619 (E_RNA)
where:
Base-Base interactions energy: -160.584
where: short stacking energy: -60.802
Base-Backbone interact. energy: -0.916
local terms energy: -87.254882
where:
bonds (distance) C4'-P energy: -19.178
bonds (distance) P-C4' energy: -18.224
flat angles C4'-P-C4' energy: -17.661
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -20.021
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: 6
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -224.561458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.561458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.561458 (E_RNA)
where:
Base-Base interactions energy: -147.161
where: short stacking energy: -64.112
Base-Backbone interact. energy: -0.006
local terms energy: -77.394391
where:
bonds (distance) C4'-P energy: -16.462
bonds (distance) P-C4' energy: -11.372
flat angles C4'-P-C4' energy: -18.486
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -18.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -118.112744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.112744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.112744 (E_RNA)
where:
Base-Base interactions energy: -49.757
where: short stacking energy: -49.738
Base-Backbone interact. energy: -0.520
local terms energy: -67.835635
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -20.398
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -6.892
tors. eta vs tors. theta energy: -14.169
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: 6, replica: 8
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -100.239649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.239649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.239649 (E_RNA)
where:
Base-Base interactions energy: -39.684
where: short stacking energy: -30.600
Base-Backbone interact. energy: -0.120
local terms energy: -60.435881
where:
bonds (distance) C4'-P energy: -18.479
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -9.129
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: 7, replica: 3
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -97.710374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.710374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.710374 (E_RNA)
where:
Base-Base interactions energy: -36.056
where: short stacking energy: -34.198
Base-Backbone interact. energy: -0.253
local terms energy: -61.401024
where:
bonds (distance) C4'-P energy: -17.453
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -2.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -90.919771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.919771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.919771 (E_RNA)
where:
Base-Base interactions energy: -32.334
where: short stacking energy: -24.903
Base-Backbone interact. energy: -1.042
local terms energy: -57.543219
where:
bonds (distance) C4'-P energy: -16.818
bonds (distance) P-C4' energy: -11.930
flat angles C4'-P-C4' energy: -17.017
flat angles P-C4'-P energy: -7.275
tors. eta vs tors. theta energy: -4.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -86.945770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.945770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.945770 (E_RNA)
where:
Base-Base interactions energy: -30.782
where: short stacking energy: -27.081
Base-Backbone interact. energy: 0.035
local terms energy: -56.198303
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -17.949
flat angles P-C4'-P energy: -6.188
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: 10, replica: 1
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -92.617018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.617018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.617018 (E_RNA)
where:
Base-Base interactions energy: -41.591
where: short stacking energy: -41.591
Base-Backbone interact. energy: -0.053
local terms energy: -50.973239
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -8.545
tors. eta vs tors. theta energy: -3.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -255.170408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.170408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.170408 (E_RNA)
where:
Base-Base interactions energy: -168.076
where: short stacking energy: -70.354
Base-Backbone interact. energy: 0.058
local terms energy: -87.152237
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -18.278
flat angles C4'-P-C4' energy: -19.437
flat angles P-C4'-P energy: -12.839
tors. eta vs tors. theta energy: -21.599
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: 9
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -258.962305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.962305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.962305 (E_RNA)
where:
Base-Base interactions energy: -169.206
where: short stacking energy: -79.539
Base-Backbone interact. energy: -0.274
local terms energy: -89.482237
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -19.255
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: -25.756
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: 497
Temperature: 1.000000
Total energy: -234.376668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.376668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.376668 (E_RNA)
where:
Base-Base interactions energy: -150.343
where: short stacking energy: -63.487
Base-Backbone interact. energy: -0.155
local terms energy: -83.878536
where:
bonds (distance) C4'-P energy: -18.318
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -17.968
flat angles P-C4'-P energy: -13.301
tors. eta vs tors. theta energy: -21.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -238.881662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.881662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.881662 (E_RNA)
where:
Base-Base interactions energy: -151.536
where: short stacking energy: -70.190
Base-Backbone interact. energy: -0.002
local terms energy: -87.344102
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -17.556
flat angles P-C4'-P energy: -13.730
tors. eta vs tors. theta energy: -25.992
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: 2
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -104.061704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.061704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.061704 (E_RNA)
where:
Base-Base interactions energy: -50.210
where: short stacking energy: -28.318
Base-Backbone interact. energy: -0.253
local terms energy: -53.598987
where:
bonds (distance) C4'-P energy: -10.853
bonds (distance) P-C4' energy: -20.662
flat angles C4'-P-C4' energy: -10.875
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -1.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -107.122775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.122775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.122775 (E_RNA)
where:
Base-Base interactions energy: -48.581
where: short stacking energy: -41.016
Base-Backbone interact. energy: 0.364
local terms energy: -58.905891
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -12.759
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -12.390
tors. eta vs tors. theta energy: -4.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -99.196310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.196310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.196310 (E_RNA)
where:
Base-Base interactions energy: -33.991
where: short stacking energy: -31.502
Base-Backbone interact. energy: -0.034
local terms energy: -65.171396
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -13.614
flat angles C4'-P-C4' energy: -18.710
flat angles P-C4'-P energy: -13.029
tors. eta vs tors. theta energy: -3.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -86.819654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.819654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.819654 (E_RNA)
where:
Base-Base interactions energy: -29.596
where: short stacking energy: -29.596
Base-Backbone interact. energy: -0.731
local terms energy: -56.492599
where:
bonds (distance) C4'-P energy: -16.855
bonds (distance) P-C4' energy: -16.284
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -7.559
tors. eta vs tors. theta energy: -2.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -76.864979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.864979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.864979 (E_RNA)
where:
Base-Base interactions energy: -16.697
where: short stacking energy: -16.697
Base-Backbone interact. energy: -0.253
local terms energy: -59.914612
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -16.697
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: -0.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -86.593148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.593148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.593148 (E_RNA)
where:
Base-Base interactions energy: -34.932
where: short stacking energy: -25.768
Base-Backbone interact. energy: -0.402
local terms energy: -51.259230
where:
bonds (distance) C4'-P energy: -15.533
bonds (distance) P-C4' energy: -13.375
flat angles C4'-P-C4' energy: -11.819
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -0.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -265.559749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.559749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.559749 (E_RNA)
where:
Base-Base interactions energy: -176.248
where: short stacking energy: -76.975
Base-Backbone interact. energy: -1.632
local terms energy: -87.679730
where:
bonds (distance) C4'-P energy: -17.058
bonds (distance) P-C4' energy: -17.469
flat angles C4'-P-C4' energy: -19.032
flat angles P-C4'-P energy: -11.889
tors. eta vs tors. theta energy: -22.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -257.487408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.487408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.487408 (E_RNA)
where:
Base-Base interactions energy: -171.075
where: short stacking energy: -82.756
Base-Backbone interact. energy: -0.061
local terms energy: -86.350686
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -16.981
flat angles C4'-P-C4' energy: -19.437
flat angles P-C4'-P energy: -13.972
tors. eta vs tors. theta energy: -24.226
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: 6
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -243.919063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.919063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.919063 (E_RNA)
where:
Base-Base interactions energy: -156.345
where: short stacking energy: -64.067
Base-Backbone interact. energy: -1.517
local terms energy: -86.057149
where:
bonds (distance) C4'-P energy: -17.295
bonds (distance) P-C4' energy: -18.089
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -13.309
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: 4, replica: 5
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -230.095231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.095231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.095231 (E_RNA)
where:
Base-Base interactions energy: -145.682
where: short stacking energy: -63.879
Base-Backbone interact. energy: -0.010
local terms energy: -84.403407
where:
bonds (distance) C4'-P energy: -14.071
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -17.992
flat angles P-C4'-P energy: -14.776
tors. eta vs tors. theta energy: -20.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -110.128733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.128733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.128733 (E_RNA)
where:
Base-Base interactions energy: -63.092
where: short stacking energy: -23.595
Base-Backbone interact. energy: -0.220
local terms energy: -46.816374
where:
bonds (distance) C4'-P energy: -10.579
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: 0.818
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: 2
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -93.679162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.679162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.679162 (E_RNA)
where:
Base-Base interactions energy: -40.041
where: short stacking energy: -19.566
Base-Backbone interact. energy: -0.828
local terms energy: -52.810711
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -18.495
flat angles C4'-P-C4' energy: -12.289
flat angles P-C4'-P energy: -5.073
tors. eta vs tors. theta energy: -2.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -93.083991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.083991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.083991 (E_RNA)
where:
Base-Base interactions energy: -34.470
where: short stacking energy: -24.802
Base-Backbone interact. energy: -0.411
local terms energy: -58.203044
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -14.052
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: -1.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -87.674679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.674679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.674679 (E_RNA)
where:
Base-Base interactions energy: -32.640
where: short stacking energy: -31.687
Base-Backbone interact. energy: -0.196
local terms energy: -54.838835
where:
bonds (distance) C4'-P energy: -17.432
bonds (distance) P-C4' energy: -10.779
flat angles C4'-P-C4' energy: -11.644
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -5.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -88.452615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.452615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.452615 (E_RNA)
where:
Base-Base interactions energy: -32.239
where: short stacking energy: -32.239
Base-Backbone interact. energy: 0.894
local terms energy: -57.108244
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -21.353
flat angles C4'-P-C4' energy: -13.568
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: 1.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -89.531099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.531099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.531099 (E_RNA)
where:
Base-Base interactions energy: -28.985
where: short stacking energy: -28.580
Base-Backbone interact. energy: 1.756
local terms energy: -62.301720
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -14.602
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -3.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -266.860070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.860070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.860070 (E_RNA)
where:
Base-Base interactions energy: -185.585
where: short stacking energy: -83.860
Base-Backbone interact. energy: -0.119
local terms energy: -81.156341
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -16.200
flat angles C4'-P-C4' energy: -17.250
flat angles P-C4'-P energy: -12.314
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: 2, replica: 6
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -253.785189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.785189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.785189 (E_RNA)
where:
Base-Base interactions energy: -161.675
where: short stacking energy: -83.514
Base-Backbone interact. energy: -0.008
local terms energy: -92.101960
where:
bonds (distance) C4'-P energy: -12.892
bonds (distance) P-C4' energy: -18.826
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -16.261
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: 3, replica: 7
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -261.530828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.530828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.530828 (E_RNA)
where:
Base-Base interactions energy: -174.029
where: short stacking energy: -79.114
Base-Backbone interact. energy: -0.713
local terms energy: -86.788761
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -19.616
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -11.285
tors. eta vs tors. theta energy: -23.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -228.477281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.477281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.477281 (E_RNA)
where:
Base-Base interactions energy: -150.058
where: short stacking energy: -70.271
Base-Backbone interact. energy: -0.044
local terms energy: -78.375542
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -17.176
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -20.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -128.971070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.971070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.971070 (E_RNA)
where:
Base-Base interactions energy: -64.166
where: short stacking energy: -34.519
Base-Backbone interact. energy: -0.112
local terms energy: -64.693933
where:
bonds (distance) C4'-P energy: -18.499
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -4.263
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: 10
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -117.216308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.216308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.216308 (E_RNA)
where:
Base-Base interactions energy: -53.797
where: short stacking energy: -42.627
Base-Backbone interact. energy: -0.577
local terms energy: -62.842253
where:
bonds (distance) C4'-P energy: -16.129
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -10.196
flat angles P-C4'-P energy: -13.086
tors. eta vs tors. theta energy: -8.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -101.307344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.307344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.307344 (E_RNA)
where:
Base-Base interactions energy: -39.083
where: short stacking energy: -38.592
Base-Backbone interact. energy: -0.312
local terms energy: -61.911945
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -17.857
flat angles C4'-P-C4' energy: -15.970
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: -6.502
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: 499
Temperature: 1.250000
Total energy: -92.128078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.128078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.128078 (E_RNA)
where:
Base-Base interactions energy: -31.603
where: short stacking energy: -24.040
Base-Backbone interact. energy: 0.323
local terms energy: -60.848182
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -19.914
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: 0.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -79.771877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.771877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.771877 (E_RNA)
where:
Base-Base interactions energy: -31.456
where: short stacking energy: -30.390
Base-Backbone interact. energy: -0.096
local terms energy: -48.219688
where:
bonds (distance) C4'-P energy: -9.863
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: 1.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -83.302889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.302889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.302889 (E_RNA)
where:
Base-Base interactions energy: -36.151
where: short stacking energy: -22.510
Base-Backbone interact. energy: -0.933
local terms energy: -46.219401
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -18.798
flat angles C4'-P-C4' energy: -9.960
flat angles P-C4'-P energy: -5.479
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: 1, replica: 9
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -260.705501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.705501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.705501 (E_RNA)
where:
Base-Base interactions energy: -166.669
where: short stacking energy: -76.954
Base-Backbone interact. energy: -0.637
local terms energy: -93.399371
where:
bonds (distance) C4'-P energy: -17.928
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -17.593
flat angles P-C4'-P energy: -16.078
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: 2, replica: 6
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -251.227778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.227778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.227778 (E_RNA)
where:
Base-Base interactions energy: -156.765
where: short stacking energy: -70.747
Base-Backbone interact. energy: -0.010
local terms energy: -94.452586
where:
bonds (distance) C4'-P energy: -17.523
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -19.764
flat angles P-C4'-P energy: -14.473
tors. eta vs tors. theta energy: -25.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -244.290326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.290326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.290326 (E_RNA)
where:
Base-Base interactions energy: -154.257
where: short stacking energy: -72.430
Base-Backbone interact. energy: 0.102
local terms energy: -90.135284
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -17.779
flat angles P-C4'-P energy: -14.929
tors. eta vs tors. theta energy: -26.955
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: 7
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -240.708810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.708810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.708810 (E_RNA)
where:
Base-Base interactions energy: -163.112
where: short stacking energy: -77.154
Base-Backbone interact. energy: -1.136
local terms energy: -76.461277
where:
bonds (distance) C4'-P energy: -12.032
bonds (distance) P-C4' energy: -16.359
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: -23.217
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: 10
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -105.714704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.714704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.714704 (E_RNA)
where:
Base-Base interactions energy: -58.751
where: short stacking energy: -31.906
Base-Backbone interact. energy: -0.383
local terms energy: -46.580422
where:
bonds (distance) C4'-P energy: -12.306
bonds (distance) P-C4' energy: -18.258
flat angles C4'-P-C4' energy: -11.246
flat angles P-C4'-P energy: -4.836
tors. eta vs tors. theta energy: 0.065
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: 3
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -116.596804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.596804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.596804 (E_RNA)
where:
Base-Base interactions energy: -52.581
where: short stacking energy: -37.566
Base-Backbone interact. energy: -0.155
local terms energy: -63.860631
where:
bonds (distance) C4'-P energy: -11.695
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -17.739
flat angles P-C4'-P energy: -7.380
tors. eta vs tors. theta energy: -8.973
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: 1
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -92.060648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.060648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.060648 (E_RNA)
where:
Base-Base interactions energy: -27.814
where: short stacking energy: -27.464
Base-Backbone interact. energy: -1.556
local terms energy: -62.690675
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -18.025
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -13.327
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: 2
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -106.699045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.699045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.699045 (E_RNA)
where:
Base-Base interactions energy: -45.923
where: short stacking energy: -30.327
Base-Backbone interact. energy: -0.166
local terms energy: -60.609157
where:
bonds (distance) C4'-P energy: -16.801
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -14.869
flat angles P-C4'-P energy: -11.297
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: 9, replica: 4
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -88.699600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.699600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.699600 (E_RNA)
where:
Base-Base interactions energy: -34.305
where: short stacking energy: -24.669
Base-Backbone interact. energy: -0.097
local terms energy: -54.297676
where:
bonds (distance) C4'-P energy: -18.675
bonds (distance) P-C4' energy: -11.392
flat angles C4'-P-C4' energy: -12.258
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -1.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -83.925222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.925222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.925222 (E_RNA)
where:
Base-Base interactions energy: -38.596
where: short stacking energy: -24.448
Base-Backbone interact. energy: -1.519
local terms energy: -43.810516
where:
bonds (distance) C4'-P energy: -17.907
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -6.937
flat angles P-C4'-P energy: -9.298
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: 1, replica: 9
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -265.263687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.263687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.263687 (E_RNA)
where:
Base-Base interactions energy: -173.879
where: short stacking energy: -88.081
Base-Backbone interact. energy: -0.004
local terms energy: -91.380570
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -17.497
flat angles P-C4'-P energy: -13.884
tors. eta vs tors. theta energy: -25.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -250.270393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.270393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.270393 (E_RNA)
where:
Base-Base interactions energy: -161.554
where: short stacking energy: -74.052
Base-Backbone interact. energy: 0.695
local terms energy: -89.411074
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -18.973
flat angles C4'-P-C4' energy: -17.835
flat angles P-C4'-P energy: -13.869
tors. eta vs tors. theta energy: -25.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -243.971294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.971294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.971294 (E_RNA)
where:
Base-Base interactions energy: -167.763
where: short stacking energy: -79.349
Base-Backbone interact. energy: -0.580
local terms energy: -75.628690
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -12.536
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -10.445
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: 4, replica: 7
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -247.914920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.914920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.914920 (E_RNA)
where:
Base-Base interactions energy: -156.024
where: short stacking energy: -76.654
Base-Backbone interact. energy: -0.080
local terms energy: -91.811535
where:
bonds (distance) C4'-P energy: -19.690
bonds (distance) P-C4' energy: -14.509
flat angles C4'-P-C4' energy: -20.296
flat angles P-C4'-P energy: -12.388
tors. eta vs tors. theta energy: -24.929
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: 5, replica: 10
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -114.150894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.150894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.150894 (E_RNA)
where:
Base-Base interactions energy: -47.033
where: short stacking energy: -25.516
Base-Backbone interact. energy: 2.613
local terms energy: -69.730946
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -17.099
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -9.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -106.054657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.054657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.054657 (E_RNA)
where:
Base-Base interactions energy: -40.395
where: short stacking energy: -26.040
Base-Backbone interact. energy: -0.105
local terms energy: -65.555135
where:
bonds (distance) C4'-P energy: -17.720
bonds (distance) P-C4' energy: -17.071
flat angles C4'-P-C4' energy: -7.140
flat angles P-C4'-P energy: -14.198
tors. eta vs tors. theta energy: -9.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -100.099268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.099268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.099268 (E_RNA)
where:
Base-Base interactions energy: -39.544
where: short stacking energy: -33.106
Base-Backbone interact. energy: -0.224
local terms energy: -60.331864
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -16.101
flat angles C4'-P-C4' energy: -6.393
flat angles P-C4'-P energy: -13.741
tors. eta vs tors. theta energy: -9.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -99.264137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.264137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.264137 (E_RNA)
where:
Base-Base interactions energy: -42.302
where: short stacking energy: -35.724
Base-Backbone interact. energy: -0.075
local terms energy: -56.887006
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -12.406
flat angles P-C4'-P energy: -6.851
tors. eta vs tors. theta energy: -5.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -91.619476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.619476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.619476 (E_RNA)
where:
Base-Base interactions energy: -42.433
where: short stacking energy: -30.606
Base-Backbone interact. energy: -0.437
local terms energy: -48.749801
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -18.876
flat angles C4'-P-C4' energy: -11.044
flat angles P-C4'-P energy: -5.142
tors. eta vs tors. theta energy: -2.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -77.717347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.717347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.717347 (E_RNA)
where:
Base-Base interactions energy: -18.218
where: short stacking energy: -18.218
Base-Backbone interact. energy: -0.445
local terms energy: -59.054465
where:
bonds (distance) C4'-P energy: -19.341
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: -1.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 9 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 18168905
moves confirmed later: 20869634
all moves confirmed: 39038539
percent of confirmed moves: 4.879817
current total energy: -241.485903
recalc. total energy: -241.485903
replica 5 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 24277572
moves confirmed later: 29175473
all moves confirmed: 53453045
percent of confirmed moves: 6.681631
current total energy: -216.681830
recalc. total energy: -216.681830
replica 7 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 20977409
moves confirmed later: 24615962
all moves confirmed: 45593371
percent of confirmed moves: 5.699171
current total energy: -198.826140
recalc. total energy: -198.826140
replica 6 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 12874752
moves confirmed later: 13765088
all moves confirmed: 26639840
percent of confirmed moves: 3.329980
current total energy: -204.091600
recalc. total energy: -204.091600
replica 10 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 20554263
moves confirmed later: 24188242
all moves confirmed: 44742505
percent of confirmed moves: 5.592813
current total energy: -88.925835
recalc. total energy: -88.925835
replica 1 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 17099204
moves confirmed later: 19643137
all moves confirmed: 36742341
percent of confirmed moves: 4.592793
current total energy: -71.499913
recalc. total energy: -71.499913
replica 4 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 23553009
moves confirmed later: 28255518
all moves confirmed: 51808527
percent of confirmed moves: 6.476066
current total energy: -32.593642
recalc. total energy: -32.593642
replica 3 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 27210389
moves confirmed later: 32977857
all moves confirmed: 60188246
percent of confirmed moves: 7.523531
current total energy: -54.955564
recalc. total energy: -54.955564
replica 8 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 27794138
moves confirmed later: 33814402
all moves confirmed: 61608540
percent of confirmed moves: 7.701067
current total energy: -17.645865
recalc. total energy: -17.645865
replica 2 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 26714064
moves confirmed later: 32349198
all moves confirmed: 59063262
percent of confirmed moves: 7.382908
current total energy: -44.678625
recalc. total energy: -44.678625
out arg RESULTS//1/F1-32cfb1e5_01
Time of doing 8000000 iterations: 3123.394 seconds